USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 24 TYR OH : rot 180:sc= 0.933 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -167:sc= 1.08 (180deg=0.00206) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.36 (180deg=1.19) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0766) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0.947) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.12 (180deg=0.99) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 28 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-3.2!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.0191 X(o=0.019,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.973 (180deg=0.968) USER MOD Single : A 50 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0.843 (180deg=0.796) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= -0.0119 (180deg=-0.125) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -0.0171 (180deg=-0.138) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00552 X(o=-0.0055,f=-0.0055) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.760 -10.083 2.685 1.00 0.00 N ATOM 2 CA MET A 1 11.996 -10.374 1.479 1.00 0.00 C ATOM 3 C MET A 1 12.189 -9.286 0.461 1.00 0.00 C ATOM 4 O MET A 1 12.716 -8.217 0.785 1.00 0.00 O ATOM 5 CB MET A 1 10.509 -10.572 1.785 1.00 0.00 C ATOM 6 CG MET A 1 10.165 -11.920 2.407 1.00 0.00 C ATOM 7 SD MET A 1 11.025 -12.248 3.951 1.00 0.00 S ATOM 8 CE MET A 1 10.349 -13.854 4.345 1.00 0.00 C ATOM 0 H1 MET A 1 12.464 -10.726 3.447 1.00 0.00 H new ATOM 0 H2 MET A 1 13.774 -10.216 2.494 1.00 0.00 H new ATOM 0 H3 MET A 1 12.589 -9.099 2.975 1.00 0.00 H new ATOM 0 HA MET A 1 12.371 -11.310 1.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.182 -9.781 2.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.943 -10.458 0.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.090 -11.964 2.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.403 -12.710 1.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.778 -14.210 5.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.267 -13.778 4.448 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.589 -14.556 3.546 1.00 0.00 H new ATOM 20 N ASN A 2 11.743 -9.551 -0.747 1.00 0.00 N ATOM 21 CA ASN A 2 11.898 -8.641 -1.876 1.00 0.00 C ATOM 22 C ASN A 2 10.845 -7.549 -1.812 1.00 0.00 C ATOM 23 O ASN A 2 9.787 -7.744 -1.208 1.00 0.00 O ATOM 24 CB ASN A 2 11.747 -9.421 -3.183 1.00 0.00 C ATOM 25 CG ASN A 2 12.804 -10.487 -3.380 1.00 0.00 C ATOM 26 OD1 ASN A 2 13.942 -10.344 -2.953 1.00 0.00 O ATOM 27 ND2 ASN A 2 12.436 -11.569 -4.010 1.00 0.00 N ATOM 0 H ASN A 2 11.255 -10.415 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 2 12.887 -8.185 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.763 -9.889 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.787 -8.723 -4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.104 -12.325 -4.158 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.480 -11.659 -4.354 1.00 0.00 H new ATOM 34 N VAL A 3 11.098 -6.421 -2.471 1.00 0.00 N ATOM 35 CA VAL A 3 10.170 -5.281 -2.425 1.00 0.00 C ATOM 36 C VAL A 3 8.859 -5.564 -3.164 1.00 0.00 C ATOM 37 O VAL A 3 7.833 -4.943 -2.884 1.00 0.00 O ATOM 38 CB VAL A 3 10.800 -3.956 -2.947 1.00 0.00 C ATOM 39 CG1 VAL A 3 12.016 -3.568 -2.116 1.00 0.00 C ATOM 40 CG2 VAL A 3 11.163 -4.037 -4.427 1.00 0.00 C ATOM 0 H VAL A 3 11.930 -6.267 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 3 9.946 -5.145 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 3 10.043 -3.179 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.438 -2.639 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.717 -3.428 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.764 -4.358 -2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.599 -3.091 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.884 -4.839 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.265 -4.239 -5.011 1.00 0.00 H new ATOM 50 N THR A 4 8.901 -6.525 -4.076 1.00 0.00 N ATOM 51 CA THR A 4 7.742 -6.934 -4.872 1.00 0.00 C ATOM 52 C THR A 4 6.540 -7.342 -3.986 1.00 0.00 C ATOM 53 O THR A 4 5.379 -7.172 -4.389 1.00 0.00 O ATOM 54 CB THR A 4 8.120 -8.089 -5.855 1.00 0.00 C ATOM 55 OG1 THR A 4 7.016 -8.435 -6.711 1.00 0.00 O ATOM 56 CG2 THR A 4 8.592 -9.326 -5.105 1.00 0.00 C ATOM 0 H THR A 4 9.748 -7.051 -4.290 1.00 0.00 H new ATOM 0 HA THR A 4 7.434 -6.067 -5.456 1.00 0.00 H new ATOM 0 HB THR A 4 8.939 -7.720 -6.473 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.284 -9.159 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.847 -10.109 -5.819 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.471 -9.078 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.797 -9.678 -4.448 1.00 0.00 H new ATOM 64 N LYS A 5 6.826 -7.818 -2.759 1.00 0.00 N ATOM 65 CA LYS A 5 5.778 -8.245 -1.825 1.00 0.00 C ATOM 66 C LYS A 5 4.815 -7.083 -1.536 1.00 0.00 C ATOM 67 O LYS A 5 3.617 -7.274 -1.411 1.00 0.00 O ATOM 68 CB LYS A 5 6.381 -8.753 -0.487 1.00 0.00 C ATOM 69 CG LYS A 5 7.076 -7.666 0.332 1.00 0.00 C ATOM 70 CD LYS A 5 7.480 -8.139 1.708 1.00 0.00 C ATOM 71 CE LYS A 5 8.044 -6.982 2.520 1.00 0.00 C ATOM 72 NZ LYS A 5 8.355 -7.373 3.901 1.00 0.00 N ATOM 0 H LYS A 5 7.774 -7.915 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 5 5.236 -9.065 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.586 -9.194 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.097 -9.547 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.961 -7.324 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.410 -6.808 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.618 -8.566 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.225 -8.930 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.947 -6.608 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.325 -6.163 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.736 -6.554 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.489 -7.705 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.061 -8.137 3.895 1.00 0.00 H new ATOM 86 N LEU A 6 5.362 -5.873 -1.504 1.00 0.00 N ATOM 87 CA LEU A 6 4.614 -4.687 -1.176 1.00 0.00 C ATOM 88 C LEU A 6 3.619 -4.391 -2.279 1.00 0.00 C ATOM 89 O LEU A 6 2.443 -4.173 -2.019 1.00 0.00 O ATOM 90 CB LEU A 6 5.584 -3.512 -0.980 1.00 0.00 C ATOM 91 CG LEU A 6 4.993 -2.183 -0.504 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.291 -2.352 0.832 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.097 -1.151 -0.391 1.00 0.00 C ATOM 0 H LEU A 6 6.346 -5.697 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 6 4.061 -4.840 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.344 -3.819 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.093 -3.334 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 6 4.255 -1.845 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.879 -1.394 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.485 -3.078 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.005 -2.705 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.677 -0.204 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.844 -1.494 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.566 -1.012 -1.365 1.00 0.00 H new ATOM 105 N ASN A 7 4.086 -4.469 -3.513 1.00 0.00 N ATOM 106 CA ASN A 7 3.250 -4.194 -4.679 1.00 0.00 C ATOM 107 C ASN A 7 2.146 -5.238 -4.803 1.00 0.00 C ATOM 108 O ASN A 7 1.009 -4.925 -5.186 1.00 0.00 O ATOM 109 CB ASN A 7 4.108 -4.140 -5.961 1.00 0.00 C ATOM 110 CG ASN A 7 3.300 -3.839 -7.225 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.071 -2.678 -7.567 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.920 -4.861 -7.950 1.00 0.00 N ATOM 0 H ASN A 7 5.048 -4.723 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 7 2.780 -3.219 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.878 -3.378 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.621 -5.094 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.419 -4.707 -8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.125 -5.811 -7.640 1.00 0.00 H new ATOM 119 N ASP A 8 2.471 -6.470 -4.435 1.00 0.00 N ATOM 120 CA ASP A 8 1.511 -7.573 -4.485 1.00 0.00 C ATOM 121 C ASP A 8 0.434 -7.387 -3.425 1.00 0.00 C ATOM 122 O ASP A 8 -0.747 -7.688 -3.651 1.00 0.00 O ATOM 123 CB ASP A 8 2.207 -8.921 -4.292 1.00 0.00 C ATOM 124 CG ASP A 8 1.261 -10.097 -4.474 1.00 0.00 C ATOM 125 OD1 ASP A 8 1.060 -10.545 -5.625 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.706 -10.595 -3.477 1.00 0.00 O ATOM 0 H ASP A 8 3.396 -6.735 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 8 1.046 -7.567 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.029 -9.007 -5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.643 -8.961 -3.294 1.00 0.00 H new ATOM 131 N ARG A 9 0.826 -6.871 -2.269 1.00 0.00 N ATOM 132 CA ARG A 9 -0.135 -6.611 -1.204 1.00 0.00 C ATOM 133 C ARG A 9 -1.043 -5.449 -1.577 1.00 0.00 C ATOM 134 O ARG A 9 -2.220 -5.424 -1.197 1.00 0.00 O ATOM 135 CB ARG A 9 0.540 -6.363 0.148 1.00 0.00 C ATOM 136 CG ARG A 9 1.370 -7.534 0.642 1.00 0.00 C ATOM 137 CD ARG A 9 1.873 -7.310 2.049 1.00 0.00 C ATOM 138 NE ARG A 9 0.778 -7.338 3.027 1.00 0.00 N ATOM 139 CZ ARG A 9 0.774 -6.708 4.206 1.00 0.00 C ATOM 140 NH1 ARG A 9 1.805 -5.947 4.561 1.00 0.00 N ATOM 141 NH2 ARG A 9 -0.267 -6.854 5.031 1.00 0.00 N ATOM 0 H ARG A 9 1.790 -6.626 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.740 -7.511 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.180 -5.484 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.226 -6.134 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.770 -8.444 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.217 -7.687 -0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.605 -8.077 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.386 -6.350 2.104 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.049 -7.884 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.602 -5.843 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.799 -5.468 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.054 -7.444 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.275 -6.375 5.932 1.00 0.00 H new ATOM 155 N ILE A 10 -0.505 -4.500 -2.347 1.00 0.00 N ATOM 156 CA ILE A 10 -1.292 -3.384 -2.856 1.00 0.00 C ATOM 157 C ILE A 10 -2.385 -3.922 -3.783 1.00 0.00 C ATOM 158 O ILE A 10 -3.546 -3.525 -3.667 1.00 0.00 O ATOM 159 CB ILE A 10 -0.421 -2.334 -3.605 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.651 -1.772 -2.677 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.292 -1.192 -4.137 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.602 -0.805 -3.338 1.00 0.00 C ATOM 0 H ILE A 10 0.475 -4.486 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.738 -2.872 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 10 0.061 -2.832 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.164 -1.270 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.225 -2.600 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.665 -0.468 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.034 -1.592 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.798 -0.702 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.331 -0.454 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.120 -1.306 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.043 0.045 -3.729 1.00 0.00 H new ATOM 174 N GLU A 11 -2.006 -4.882 -4.653 1.00 0.00 N ATOM 175 CA GLU A 11 -2.947 -5.577 -5.565 1.00 0.00 C ATOM 176 C GLU A 11 -4.155 -6.084 -4.801 1.00 0.00 C ATOM 177 O GLU A 11 -5.307 -5.814 -5.168 1.00 0.00 O ATOM 178 CB GLU A 11 -2.255 -6.768 -6.241 1.00 0.00 C ATOM 179 CG GLU A 11 -1.246 -6.393 -7.304 1.00 0.00 C ATOM 180 CD GLU A 11 -1.912 -5.791 -8.510 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.423 -6.553 -9.352 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.944 -4.562 -8.639 1.00 0.00 O ATOM 0 H GLU A 11 -1.041 -5.199 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.269 -4.861 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.753 -7.361 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.016 -7.406 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.529 -5.684 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.684 -7.278 -7.602 1.00 0.00 H new ATOM 189 N ALA A 12 -3.883 -6.744 -3.706 1.00 0.00 N ATOM 190 CA ALA A 12 -4.911 -7.323 -2.882 1.00 0.00 C ATOM 191 C ALA A 12 -5.739 -6.265 -2.178 1.00 0.00 C ATOM 192 O ALA A 12 -6.928 -6.450 -1.985 1.00 0.00 O ATOM 193 CB ALA A 12 -4.295 -8.256 -1.857 1.00 0.00 C ATOM 0 H ALA A 12 -2.936 -6.896 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.576 -7.884 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.082 -8.688 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.756 -9.053 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.604 -7.698 -1.226 1.00 0.00 H new ATOM 199 N LYS A 13 -5.139 -5.117 -1.875 1.00 0.00 N ATOM 200 CA LYS A 13 -5.816 -4.143 -1.049 1.00 0.00 C ATOM 201 C LYS A 13 -6.843 -3.404 -1.877 1.00 0.00 C ATOM 202 O LYS A 13 -7.893 -3.002 -1.390 1.00 0.00 O ATOM 203 CB LYS A 13 -4.812 -3.209 -0.354 1.00 0.00 C ATOM 204 CG LYS A 13 -5.425 -2.331 0.730 1.00 0.00 C ATOM 205 CD LYS A 13 -4.346 -1.741 1.624 1.00 0.00 C ATOM 206 CE LYS A 13 -4.943 -0.926 2.759 1.00 0.00 C ATOM 207 NZ LYS A 13 -3.926 -0.561 3.769 1.00 0.00 N ATOM 0 H LYS A 13 -4.205 -4.849 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.349 -4.652 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.018 -3.811 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.348 -2.570 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.002 -1.528 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.119 -2.919 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.734 -2.544 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.686 -1.109 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.396 -0.020 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.740 -1.497 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.391 -0.110 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.428 -1.417 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.243 0.102 3.350 1.00 0.00 H new ATOM 221 N LYS A 14 -6.538 -3.274 -3.140 1.00 0.00 N ATOM 222 CA LYS A 14 -7.414 -2.632 -4.092 1.00 0.00 C ATOM 223 C LYS A 14 -8.622 -3.512 -4.365 1.00 0.00 C ATOM 224 O LYS A 14 -9.741 -3.026 -4.457 1.00 0.00 O ATOM 225 CB LYS A 14 -6.627 -2.321 -5.363 1.00 0.00 C ATOM 226 CG LYS A 14 -5.435 -1.424 -5.061 1.00 0.00 C ATOM 227 CD LYS A 14 -4.491 -1.202 -6.219 1.00 0.00 C ATOM 228 CE LYS A 14 -3.937 -2.492 -6.777 1.00 0.00 C ATOM 229 NZ LYS A 14 -2.919 -2.261 -7.822 1.00 0.00 N ATOM 0 H LYS A 14 -5.665 -3.613 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.789 -1.692 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.282 -3.250 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.279 -1.834 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.805 -0.456 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.874 -1.858 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.013 -0.664 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.666 -0.568 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.498 -3.076 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.752 -3.085 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.369 -3.131 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.388 -1.994 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.282 -1.495 -7.523 1.00 0.00 H new ATOM 243 N LYS A 15 -8.397 -4.816 -4.421 1.00 0.00 N ATOM 244 CA LYS A 15 -9.486 -5.760 -4.656 1.00 0.00 C ATOM 245 C LYS A 15 -10.315 -5.943 -3.381 1.00 0.00 C ATOM 246 O LYS A 15 -11.524 -6.209 -3.436 1.00 0.00 O ATOM 247 CB LYS A 15 -8.947 -7.089 -5.166 1.00 0.00 C ATOM 248 CG LYS A 15 -8.097 -6.934 -6.418 1.00 0.00 C ATOM 249 CD LYS A 15 -7.613 -8.262 -6.972 1.00 0.00 C ATOM 250 CE LYS A 15 -8.757 -9.096 -7.534 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.272 -10.310 -8.220 1.00 0.00 N ATOM 0 H LYS A 15 -7.479 -5.245 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.141 -5.354 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.352 -7.560 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.781 -7.758 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.677 -6.417 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.236 -6.305 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.877 -8.082 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.109 -8.822 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.429 -9.381 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.337 -8.492 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.082 -10.848 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.651 -10.038 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.741 -10.900 -7.548 1.00 0.00 H new ATOM 265 N GLU A 16 -9.651 -5.795 -2.251 1.00 0.00 N ATOM 266 CA GLU A 16 -10.267 -5.825 -0.937 1.00 0.00 C ATOM 267 C GLU A 16 -11.233 -4.646 -0.852 1.00 0.00 C ATOM 268 O GLU A 16 -12.383 -4.780 -0.426 1.00 0.00 O ATOM 269 CB GLU A 16 -9.171 -5.632 0.118 1.00 0.00 C ATOM 270 CG GLU A 16 -9.586 -5.895 1.549 1.00 0.00 C ATOM 271 CD GLU A 16 -9.735 -7.358 1.829 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.721 -8.004 2.192 1.00 0.00 O ATOM 273 OE2 GLU A 16 -10.849 -7.893 1.712 1.00 0.00 O ATOM 0 H GLU A 16 -8.642 -5.647 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.787 -6.769 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.337 -6.290 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.801 -4.609 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.845 -5.470 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.530 -5.389 1.752 1.00 0.00 H new ATOM 280 N LEU A 17 -10.750 -3.496 -1.308 1.00 0.00 N ATOM 281 CA LEU A 17 -11.515 -2.277 -1.294 1.00 0.00 C ATOM 282 C LEU A 17 -12.720 -2.386 -2.227 1.00 0.00 C ATOM 283 O LEU A 17 -13.770 -1.837 -1.936 1.00 0.00 O ATOM 284 CB LEU A 17 -10.631 -1.074 -1.648 1.00 0.00 C ATOM 285 CG LEU A 17 -11.264 0.314 -1.472 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.686 0.525 -0.026 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.286 1.395 -1.883 1.00 0.00 C ATOM 0 H LEU A 17 -9.813 -3.393 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.893 -2.118 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.731 -1.119 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.315 -1.176 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.146 0.372 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.133 1.513 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.415 -0.235 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.813 0.448 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.749 2.373 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.392 1.331 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.013 1.260 -2.929 1.00 0.00 H new ATOM 299 N ILE A 18 -12.567 -3.113 -3.341 1.00 0.00 N ATOM 300 CA ILE A 18 -13.692 -3.370 -4.254 1.00 0.00 C ATOM 301 C ILE A 18 -14.817 -4.073 -3.494 1.00 0.00 C ATOM 302 O ILE A 18 -15.976 -3.683 -3.594 1.00 0.00 O ATOM 303 CB ILE A 18 -13.280 -4.232 -5.495 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.222 -3.501 -6.335 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.504 -4.568 -6.356 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.722 -4.287 -7.537 1.00 0.00 C ATOM 0 H ILE A 18 -11.683 -3.531 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.029 -2.404 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.850 -5.165 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.640 -2.556 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.373 -3.258 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.193 -5.167 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.224 -5.131 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.966 -3.645 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.978 -3.698 -8.073 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.271 -5.220 -7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.558 -4.508 -8.201 1.00 0.00 H new ATOM 318 N TYR A 19 -14.444 -5.058 -2.689 1.00 0.00 N ATOM 319 CA TYR A 19 -15.394 -5.817 -1.879 1.00 0.00 C ATOM 320 C TYR A 19 -16.117 -4.894 -0.878 1.00 0.00 C ATOM 321 O TYR A 19 -17.320 -5.038 -0.615 1.00 0.00 O ATOM 322 CB TYR A 19 -14.658 -6.961 -1.141 1.00 0.00 C ATOM 323 CG TYR A 19 -15.538 -7.758 -0.198 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.419 -8.710 -0.683 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.503 -7.538 1.174 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.236 -9.426 0.166 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.324 -8.246 2.030 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.187 -9.190 1.521 1.00 0.00 C ATOM 329 OH TYR A 19 -18.022 -9.890 2.370 1.00 0.00 O ATOM 0 H TYR A 19 -13.475 -5.356 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.148 -6.252 -2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.229 -7.638 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.827 -6.539 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.467 -8.895 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.823 -6.802 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.912 -10.169 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.289 -8.060 3.093 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.861 -9.606 3.294 1.00 0.00 H new ATOM 339 N LEU A 20 -15.387 -3.948 -0.354 1.00 0.00 N ATOM 340 CA LEU A 20 -15.928 -2.993 0.585 1.00 0.00 C ATOM 341 C LEU A 20 -16.872 -2.013 -0.110 1.00 0.00 C ATOM 342 O LEU A 20 -17.905 -1.642 0.440 1.00 0.00 O ATOM 343 CB LEU A 20 -14.789 -2.275 1.290 1.00 0.00 C ATOM 344 CG LEU A 20 -13.862 -3.186 2.101 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.662 -2.425 2.588 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.611 -3.809 3.277 1.00 0.00 C ATOM 0 H LEU A 20 -14.398 -3.814 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.519 -3.521 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.195 -1.746 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.210 -1.522 1.956 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.519 -3.988 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.017 -3.091 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.110 -2.031 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.987 -1.600 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.934 -4.452 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.987 -3.020 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.447 -4.400 2.904 1.00 0.00 H new ATOM 358 N VAL A 21 -16.535 -1.624 -1.330 1.00 0.00 N ATOM 359 CA VAL A 21 -17.395 -0.732 -2.117 1.00 0.00 C ATOM 360 C VAL A 21 -18.659 -1.487 -2.552 1.00 0.00 C ATOM 361 O VAL A 21 -19.745 -0.921 -2.620 1.00 0.00 O ATOM 362 CB VAL A 21 -16.656 -0.146 -3.371 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.569 0.777 -4.175 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.406 0.612 -2.959 1.00 0.00 C ATOM 0 H VAL A 21 -15.676 -1.907 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.666 0.112 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.372 -0.990 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.026 1.166 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.441 0.219 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.893 1.606 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.912 1.008 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.680 1.435 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.727 -0.062 -2.436 1.00 0.00 H new ATOM 374 N GLU A 22 -18.499 -2.762 -2.822 1.00 0.00 N ATOM 375 CA GLU A 22 -19.554 -3.636 -3.189 1.00 0.00 C ATOM 376 C GLU A 22 -20.592 -3.696 -2.043 1.00 0.00 C ATOM 377 O GLU A 22 -21.781 -3.450 -2.252 1.00 0.00 O ATOM 378 CB GLU A 22 -18.882 -4.984 -3.405 1.00 0.00 C ATOM 379 CG GLU A 22 -19.592 -5.992 -4.248 1.00 0.00 C ATOM 380 CD GLU A 22 -20.864 -6.538 -3.653 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.804 -7.225 -2.613 1.00 0.00 O ATOM 382 OE2 GLU A 22 -21.945 -6.327 -4.239 1.00 0.00 O ATOM 0 H GLU A 22 -17.589 -3.222 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.090 -3.315 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.905 -4.803 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.706 -5.431 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.825 -5.538 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.914 -6.823 -4.443 1.00 0.00 H new ATOM 389 N LYS A 23 -20.124 -3.986 -0.845 1.00 0.00 N ATOM 390 CA LYS A 23 -21.006 -4.136 0.304 1.00 0.00 C ATOM 391 C LYS A 23 -21.426 -2.853 1.016 1.00 0.00 C ATOM 392 O LYS A 23 -22.517 -2.805 1.600 1.00 0.00 O ATOM 393 CB LYS A 23 -20.519 -5.220 1.262 1.00 0.00 C ATOM 394 CG LYS A 23 -20.892 -6.620 0.804 1.00 0.00 C ATOM 395 CD LYS A 23 -22.397 -6.840 0.958 1.00 0.00 C ATOM 396 CE LYS A 23 -22.859 -8.146 0.344 1.00 0.00 C ATOM 397 NZ LYS A 23 -22.779 -8.141 -1.138 1.00 0.00 N ATOM 0 H LYS A 23 -19.135 -4.124 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.944 -4.473 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.436 -5.151 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.941 -5.041 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.601 -6.760 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.347 -7.360 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.656 -6.828 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.931 -6.013 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.250 -8.962 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.887 -8.342 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -23.138 -9.044 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.353 -7.360 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.789 -8.016 -1.432 1.00 0.00 H new ATOM 411 N TYR A 24 -20.600 -1.846 1.014 1.00 0.00 N ATOM 412 CA TYR A 24 -20.961 -0.597 1.678 1.00 0.00 C ATOM 413 C TYR A 24 -21.313 0.489 0.691 1.00 0.00 C ATOM 414 O TYR A 24 -22.345 1.150 0.810 1.00 0.00 O ATOM 415 CB TYR A 24 -19.838 -0.085 2.576 1.00 0.00 C ATOM 416 CG TYR A 24 -19.534 -0.919 3.788 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.529 -1.244 4.698 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.235 -1.332 4.061 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.241 -1.955 5.840 1.00 0.00 C ATOM 420 CE2 TYR A 24 -17.943 -2.054 5.197 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.954 -2.357 6.083 1.00 0.00 C ATOM 422 OH TYR A 24 -18.666 -3.042 7.239 1.00 0.00 O ATOM 0 H TYR A 24 -19.681 -1.850 0.571 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.836 -0.830 2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.930 -0.003 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.094 0.922 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.546 -0.934 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.442 -1.083 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.026 -2.195 6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.932 -2.379 5.391 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.710 -3.257 7.262 1.00 0.00 H new ATOM 432 N GLY A 25 -20.471 0.652 -0.274 1.00 0.00 N ATOM 433 CA GLY A 25 -20.612 1.720 -1.221 1.00 0.00 C ATOM 434 C GLY A 25 -19.369 2.565 -1.209 1.00 0.00 C ATOM 435 O GLY A 25 -18.400 2.210 -0.548 1.00 0.00 O ATOM 0 H GLY A 25 -19.663 0.051 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.781 1.316 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.481 2.329 -0.973 1.00 0.00 H new ATOM 439 N PHE A 26 -19.370 3.670 -1.911 1.00 0.00 N ATOM 440 CA PHE A 26 -18.190 4.522 -1.944 1.00 0.00 C ATOM 441 C PHE A 26 -18.329 5.712 -1.000 1.00 0.00 C ATOM 442 O PHE A 26 -17.357 6.390 -0.685 1.00 0.00 O ATOM 443 CB PHE A 26 -17.837 4.968 -3.384 1.00 0.00 C ATOM 444 CG PHE A 26 -18.913 5.731 -4.126 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.001 7.113 -4.031 1.00 0.00 C ATOM 446 CD2 PHE A 26 -19.818 5.065 -4.933 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.972 7.810 -4.724 1.00 0.00 C ATOM 448 CE2 PHE A 26 -20.789 5.757 -5.625 1.00 0.00 C ATOM 449 CZ PHE A 26 -20.868 7.130 -5.521 1.00 0.00 C ATOM 0 H PHE A 26 -20.159 4.005 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.353 3.922 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.943 5.590 -3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.582 4.082 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.302 7.650 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.763 3.990 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.029 8.885 -4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -21.489 5.223 -6.250 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.630 7.671 -6.063 1.00 0.00 H new ATOM 459 N THR A 27 -19.530 5.931 -0.518 1.00 0.00 N ATOM 460 CA THR A 27 -19.819 7.039 0.370 1.00 0.00 C ATOM 461 C THR A 27 -19.711 6.624 1.834 1.00 0.00 C ATOM 462 O THR A 27 -20.192 7.314 2.726 1.00 0.00 O ATOM 463 CB THR A 27 -21.230 7.566 0.079 1.00 0.00 C ATOM 464 OG1 THR A 27 -22.143 6.451 -0.025 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.246 8.356 -1.214 1.00 0.00 C ATOM 0 H THR A 27 -20.338 5.346 -0.730 1.00 0.00 H new ATOM 0 HA THR A 27 -19.084 7.824 0.192 1.00 0.00 H new ATOM 0 HB THR A 27 -21.537 8.223 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 27 -23.046 6.784 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.255 8.722 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 27 -20.563 9.201 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.932 7.714 -2.037 1.00 0.00 H new ATOM 473 N HIS A 28 -19.055 5.523 2.073 1.00 0.00 N ATOM 474 CA HIS A 28 -18.931 4.995 3.401 1.00 0.00 C ATOM 475 C HIS A 28 -17.540 5.355 3.935 1.00 0.00 C ATOM 476 O HIS A 28 -16.532 5.138 3.250 1.00 0.00 O ATOM 477 CB HIS A 28 -19.156 3.478 3.351 1.00 0.00 C ATOM 478 CG HIS A 28 -19.369 2.824 4.681 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.605 2.518 5.193 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.481 2.388 5.583 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.436 1.921 6.366 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.156 1.812 6.654 1.00 0.00 N ATOM 0 H HIS A 28 -18.592 4.968 1.353 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.675 5.421 4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.022 3.275 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.295 3.014 2.869 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.501 2.716 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.408 2.471 5.493 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.239 1.572 6.998 1.00 0.00 H new ATOM 490 N HIS A 29 -17.495 5.896 5.141 1.00 0.00 N ATOM 491 CA HIS A 29 -16.262 6.395 5.756 1.00 0.00 C ATOM 492 C HIS A 29 -15.173 5.316 5.877 1.00 0.00 C ATOM 493 O HIS A 29 -13.998 5.614 5.651 1.00 0.00 O ATOM 494 CB HIS A 29 -16.550 7.066 7.118 1.00 0.00 C ATOM 495 CG HIS A 29 -15.335 7.644 7.803 1.00 0.00 C ATOM 496 ND1 HIS A 29 -14.724 7.072 8.898 1.00 0.00 N ATOM 497 CD2 HIS A 29 -14.619 8.764 7.522 1.00 0.00 C ATOM 498 CE1 HIS A 29 -13.686 7.833 9.242 1.00 0.00 C ATOM 499 NE2 HIS A 29 -13.573 8.880 8.438 1.00 0.00 N ATOM 0 H HIS A 29 -18.319 6.005 5.732 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.863 7.153 5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.280 7.862 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.009 6.332 7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -14.826 9.454 6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.023 7.624 10.069 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.869 9.617 8.480 1.00 0.00 H new ATOM 507 N LYS A 30 -15.556 4.067 6.212 1.00 0.00 N ATOM 508 CA LYS A 30 -14.558 2.973 6.316 1.00 0.00 C ATOM 509 C LYS A 30 -13.814 2.842 4.999 1.00 0.00 C ATOM 510 O LYS A 30 -12.597 2.788 4.970 1.00 0.00 O ATOM 511 CB LYS A 30 -15.188 1.608 6.638 1.00 0.00 C ATOM 512 CG LYS A 30 -16.029 1.533 7.902 1.00 0.00 C ATOM 513 CD LYS A 30 -16.533 0.108 8.099 1.00 0.00 C ATOM 514 CE LYS A 30 -17.558 0.009 9.215 1.00 0.00 C ATOM 515 NZ LYS A 30 -17.991 -1.387 9.436 1.00 0.00 N ATOM 0 H LYS A 30 -16.518 3.791 6.411 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.891 3.240 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.812 1.312 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.388 0.872 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.437 1.842 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.872 2.221 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.975 -0.250 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.690 -0.545 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.133 0.409 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.424 0.624 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.838 -1.396 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.213 -1.831 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.228 -1.918 9.902 1.00 0.00 H new ATOM 529 N VAL A 31 -14.574 2.862 3.913 1.00 0.00 N ATOM 530 CA VAL A 31 -14.041 2.738 2.559 1.00 0.00 C ATOM 531 C VAL A 31 -13.034 3.860 2.275 1.00 0.00 C ATOM 532 O VAL A 31 -11.942 3.615 1.763 1.00 0.00 O ATOM 533 CB VAL A 31 -15.200 2.767 1.518 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.680 2.726 0.089 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.147 1.599 1.763 1.00 0.00 C ATOM 0 H VAL A 31 -15.588 2.966 3.945 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.523 1.783 2.474 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.737 3.707 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.520 2.748 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.039 3.589 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.107 1.811 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.955 1.626 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.600 0.661 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.564 1.673 2.767 1.00 0.00 H new ATOM 545 N ILE A 32 -13.387 5.069 2.672 1.00 0.00 N ATOM 546 CA ILE A 32 -12.525 6.236 2.492 1.00 0.00 C ATOM 547 C ILE A 32 -11.254 6.092 3.357 1.00 0.00 C ATOM 548 O ILE A 32 -10.150 6.470 2.943 1.00 0.00 O ATOM 549 CB ILE A 32 -13.293 7.543 2.850 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.561 7.645 1.978 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.402 8.778 2.653 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.451 8.827 2.299 1.00 0.00 C ATOM 0 H ILE A 32 -14.276 5.275 3.128 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.227 6.296 1.445 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.579 7.507 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.263 7.705 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.140 6.729 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.963 9.676 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.526 8.701 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.084 8.835 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.318 8.820 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.784 8.761 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.893 9.752 2.155 1.00 0.00 H new ATOM 564 N SER A 33 -11.419 5.519 4.534 1.00 0.00 N ATOM 565 CA SER A 33 -10.318 5.259 5.441 1.00 0.00 C ATOM 566 C SER A 33 -9.360 4.217 4.832 1.00 0.00 C ATOM 567 O SER A 33 -8.138 4.361 4.914 1.00 0.00 O ATOM 568 CB SER A 33 -10.854 4.793 6.817 1.00 0.00 C ATOM 569 OG SER A 33 -9.802 4.536 7.742 1.00 0.00 O ATOM 0 H SER A 33 -12.327 5.219 4.890 1.00 0.00 H new ATOM 0 HA SER A 33 -9.758 6.182 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.517 5.556 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.450 3.890 6.687 1.00 0.00 H new ATOM 0 HG SER A 33 -10.182 4.246 8.597 1.00 0.00 H new ATOM 575 N PHE A 34 -9.905 3.177 4.213 1.00 0.00 N ATOM 576 CA PHE A 34 -9.063 2.170 3.585 1.00 0.00 C ATOM 577 C PHE A 34 -8.392 2.729 2.341 1.00 0.00 C ATOM 578 O PHE A 34 -7.235 2.424 2.068 1.00 0.00 O ATOM 579 CB PHE A 34 -9.831 0.891 3.232 1.00 0.00 C ATOM 580 CG PHE A 34 -10.348 0.109 4.409 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.477 -0.515 5.281 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.699 -0.009 4.629 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.954 -1.243 6.356 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.190 -0.734 5.696 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.317 -1.353 6.564 1.00 0.00 C ATOM 0 H PHE A 34 -10.908 3.011 4.133 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.304 1.902 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.674 1.157 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.178 0.245 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.412 -0.434 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.390 0.475 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.263 -1.725 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.256 -0.816 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.695 -1.921 7.402 1.00 0.00 H new ATOM 595 N SER A 35 -9.112 3.564 1.618 1.00 0.00 N ATOM 596 CA SER A 35 -8.618 4.158 0.392 1.00 0.00 C ATOM 597 C SER A 35 -7.372 5.023 0.653 1.00 0.00 C ATOM 598 O SER A 35 -6.355 4.868 -0.018 1.00 0.00 O ATOM 599 CB SER A 35 -9.737 4.961 -0.307 1.00 0.00 C ATOM 600 OG SER A 35 -9.336 5.427 -1.584 1.00 0.00 O ATOM 0 H SER A 35 -10.059 3.850 1.865 1.00 0.00 H new ATOM 0 HA SER A 35 -8.313 3.356 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.623 4.334 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.019 5.809 0.317 1.00 0.00 H new ATOM 0 HG SER A 35 -10.071 5.928 -1.995 1.00 0.00 H new ATOM 606 N GLN A 36 -7.423 5.872 1.665 1.00 0.00 N ATOM 607 CA GLN A 36 -6.279 6.729 1.991 1.00 0.00 C ATOM 608 C GLN A 36 -5.093 5.906 2.521 1.00 0.00 C ATOM 609 O GLN A 36 -3.928 6.249 2.302 1.00 0.00 O ATOM 610 CB GLN A 36 -6.687 7.832 2.968 1.00 0.00 C ATOM 611 CG GLN A 36 -7.248 7.327 4.273 1.00 0.00 C ATOM 612 CD GLN A 36 -7.760 8.435 5.140 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.029 8.997 5.942 1.00 0.00 O ATOM 614 NE2 GLN A 36 -9.017 8.747 5.006 1.00 0.00 N ATOM 0 H GLN A 36 -8.232 5.991 2.274 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.946 7.210 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.818 8.456 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.430 8.469 2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.056 6.624 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.475 6.777 4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.595 8.254 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.424 9.484 5.582 1.00 0.00 H new ATOM 623 N GLU A 37 -5.398 4.792 3.173 1.00 0.00 N ATOM 624 CA GLU A 37 -4.365 3.888 3.673 1.00 0.00 C ATOM 625 C GLU A 37 -3.726 3.135 2.519 1.00 0.00 C ATOM 626 O GLU A 37 -2.538 2.798 2.551 1.00 0.00 O ATOM 627 CB GLU A 37 -4.950 2.898 4.669 1.00 0.00 C ATOM 628 CG GLU A 37 -5.207 3.462 6.047 1.00 0.00 C ATOM 629 CD GLU A 37 -3.928 3.848 6.743 1.00 0.00 C ATOM 630 OE1 GLU A 37 -3.184 2.946 7.194 1.00 0.00 O ATOM 631 OE2 GLU A 37 -3.637 5.046 6.862 1.00 0.00 O ATOM 0 H GLU A 37 -6.352 4.490 3.369 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.606 4.485 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.888 2.513 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.270 2.051 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.855 4.335 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.739 2.724 6.648 1.00 0.00 H new ATOM 638 N LEU A 38 -4.526 2.859 1.517 1.00 0.00 N ATOM 639 CA LEU A 38 -4.089 2.191 0.315 1.00 0.00 C ATOM 640 C LEU A 38 -3.214 3.164 -0.460 1.00 0.00 C ATOM 641 O LEU A 38 -2.157 2.800 -0.967 1.00 0.00 O ATOM 642 CB LEU A 38 -5.345 1.778 -0.487 1.00 0.00 C ATOM 643 CG LEU A 38 -5.204 0.819 -1.681 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.587 0.390 -2.115 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.492 1.470 -2.865 1.00 0.00 C ATOM 0 H LEU A 38 -5.518 3.097 1.515 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.509 1.293 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.045 1.324 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.811 2.692 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.603 -0.033 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.508 -0.291 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.087 -0.115 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.165 1.267 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.417 0.754 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.058 2.341 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.492 1.781 -2.562 1.00 0.00 H new ATOM 657 N ASP A 39 -3.660 4.402 -0.502 1.00 0.00 N ATOM 658 CA ASP A 39 -2.947 5.495 -1.152 1.00 0.00 C ATOM 659 C ASP A 39 -1.546 5.639 -0.565 1.00 0.00 C ATOM 660 O ASP A 39 -0.556 5.735 -1.301 1.00 0.00 O ATOM 661 CB ASP A 39 -3.732 6.797 -0.981 1.00 0.00 C ATOM 662 CG ASP A 39 -3.090 7.967 -1.665 1.00 0.00 C ATOM 663 OD1 ASP A 39 -3.254 8.109 -2.894 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.425 8.773 -1.003 1.00 0.00 O ATOM 0 H ASP A 39 -4.543 4.688 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.852 5.274 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.739 6.661 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.833 7.016 0.082 1.00 0.00 H new ATOM 669 N ARG A 40 -1.471 5.606 0.758 1.00 0.00 N ATOM 670 CA ARG A 40 -0.201 5.670 1.484 1.00 0.00 C ATOM 671 C ARG A 40 0.665 4.425 1.201 1.00 0.00 C ATOM 672 O ARG A 40 1.890 4.520 1.099 1.00 0.00 O ATOM 673 CB ARG A 40 -0.460 5.826 3.001 1.00 0.00 C ATOM 674 CG ARG A 40 0.796 5.815 3.881 1.00 0.00 C ATOM 675 CD ARG A 40 1.766 6.938 3.529 1.00 0.00 C ATOM 676 NE ARG A 40 1.193 8.275 3.736 1.00 0.00 N ATOM 677 CZ ARG A 40 1.740 9.419 3.291 1.00 0.00 C ATOM 678 NH1 ARG A 40 2.871 9.395 2.586 1.00 0.00 N ATOM 679 NH2 ARG A 40 1.153 10.578 3.555 1.00 0.00 N ATOM 0 H ARG A 40 -2.289 5.534 1.364 1.00 0.00 H new ATOM 0 HA ARG A 40 0.350 6.543 1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.993 6.762 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.119 5.021 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.504 5.907 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.302 4.855 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.666 6.837 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.070 6.836 2.487 1.00 0.00 H new ATOM 0 HE ARG A 40 0.317 8.340 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.326 8.505 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.282 10.266 2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.288 10.600 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.566 11.447 3.218 1.00 0.00 H new ATOM 693 N LEU A 41 0.017 3.279 1.044 1.00 0.00 N ATOM 694 CA LEU A 41 0.696 2.030 0.790 1.00 0.00 C ATOM 695 C LEU A 41 1.364 2.083 -0.591 1.00 0.00 C ATOM 696 O LEU A 41 2.486 1.620 -0.772 1.00 0.00 O ATOM 697 CB LEU A 41 -0.318 0.883 0.854 1.00 0.00 C ATOM 698 CG LEU A 41 0.249 -0.520 0.754 1.00 0.00 C ATOM 699 CD1 LEU A 41 1.120 -0.844 1.956 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.858 -1.542 0.590 1.00 0.00 C ATOM 0 H LEU A 41 -0.999 3.196 1.091 1.00 0.00 H new ATOM 0 HA LEU A 41 1.466 1.863 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.868 0.964 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.040 1.019 0.049 1.00 0.00 H new ATOM 0 HG LEU A 41 0.879 -0.565 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.513 -1.856 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.947 -0.136 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.525 -0.773 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.425 -2.540 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.526 -1.496 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.420 -1.327 -0.319 1.00 0.00 H new ATOM 712 N LEU A 42 0.664 2.680 -1.540 1.00 0.00 N ATOM 713 CA LEU A 42 1.164 2.854 -2.897 1.00 0.00 C ATOM 714 C LEU A 42 2.337 3.834 -2.911 1.00 0.00 C ATOM 715 O LEU A 42 3.295 3.662 -3.672 1.00 0.00 O ATOM 716 CB LEU A 42 0.040 3.349 -3.816 1.00 0.00 C ATOM 717 CG LEU A 42 0.398 3.538 -5.296 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.772 2.212 -5.942 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.748 4.191 -6.039 1.00 0.00 C ATOM 0 H LEU A 42 -0.271 3.060 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 42 1.516 1.891 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.788 2.643 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.323 4.301 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 42 1.266 4.195 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.021 2.376 -6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.633 1.786 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.070 1.523 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.477 4.318 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.634 3.561 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.959 5.166 -5.599 1.00 0.00 H new ATOM 731 N ASN A 43 2.272 4.846 -2.039 1.00 0.00 N ATOM 732 CA ASN A 43 3.351 5.847 -1.909 1.00 0.00 C ATOM 733 C ASN A 43 4.656 5.178 -1.562 1.00 0.00 C ATOM 734 O ASN A 43 5.714 5.597 -2.023 1.00 0.00 O ATOM 735 CB ASN A 43 3.061 6.886 -0.810 1.00 0.00 C ATOM 736 CG ASN A 43 1.935 7.854 -1.099 1.00 0.00 C ATOM 737 OD1 ASN A 43 1.239 8.273 -0.185 1.00 0.00 O ATOM 738 ND2 ASN A 43 1.770 8.260 -2.338 1.00 0.00 N ATOM 0 H ASN A 43 1.484 4.999 -1.409 1.00 0.00 H new ATOM 0 HA ASN A 43 3.410 6.351 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.830 6.355 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.970 7.459 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.045 8.943 -2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.367 7.892 -3.079 1.00 0.00 H new ATOM 745 N LEU A 44 4.571 4.112 -0.775 1.00 0.00 N ATOM 746 CA LEU A 44 5.735 3.383 -0.299 1.00 0.00 C ATOM 747 C LEU A 44 6.617 2.868 -1.428 1.00 0.00 C ATOM 748 O LEU A 44 7.829 2.846 -1.286 1.00 0.00 O ATOM 749 CB LEU A 44 5.331 2.248 0.638 1.00 0.00 C ATOM 750 CG LEU A 44 4.664 2.662 1.954 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.312 1.438 2.774 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.576 3.585 2.751 1.00 0.00 C ATOM 0 H LEU A 44 3.684 3.728 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 44 6.335 4.099 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.650 1.587 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.221 1.665 0.874 1.00 0.00 H new ATOM 0 HG LEU A 44 3.747 3.202 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.839 1.748 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.624 0.808 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.219 0.876 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.084 3.868 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.509 3.069 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.788 4.480 2.167 1.00 0.00 H new ATOM 764 N LEU A 45 6.020 2.508 -2.568 1.00 0.00 N ATOM 765 CA LEU A 45 6.800 2.033 -3.716 1.00 0.00 C ATOM 766 C LEU A 45 7.753 3.129 -4.190 1.00 0.00 C ATOM 767 O LEU A 45 8.930 2.876 -4.499 1.00 0.00 O ATOM 768 CB LEU A 45 5.893 1.610 -4.883 1.00 0.00 C ATOM 769 CG LEU A 45 4.971 0.410 -4.658 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.117 0.175 -5.894 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.779 -0.842 -4.338 1.00 0.00 C ATOM 0 H LEU A 45 5.012 2.535 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 45 7.367 1.161 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.274 2.465 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.528 1.391 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 45 4.324 0.627 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.463 -0.681 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.513 1.060 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.762 -0.023 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.102 -1.682 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.449 -1.065 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.365 -0.676 -3.434 1.00 0.00 H new ATOM 783 N ILE A 46 7.243 4.334 -4.245 1.00 0.00 N ATOM 784 CA ILE A 46 8.012 5.483 -4.658 1.00 0.00 C ATOM 785 C ILE A 46 8.979 5.871 -3.540 1.00 0.00 C ATOM 786 O ILE A 46 10.187 6.030 -3.755 1.00 0.00 O ATOM 787 CB ILE A 46 7.116 6.725 -5.029 1.00 0.00 C ATOM 788 CG1 ILE A 46 6.157 6.445 -6.210 1.00 0.00 C ATOM 789 CG2 ILE A 46 7.982 7.932 -5.366 1.00 0.00 C ATOM 790 CD1 ILE A 46 4.997 5.509 -5.913 1.00 0.00 C ATOM 0 H ILE A 46 6.275 4.548 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 46 8.553 5.199 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 46 6.508 6.933 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.752 7.395 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.737 6.025 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.344 8.778 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.600 8.188 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.623 7.694 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.391 5.384 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.383 4.539 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.384 5.931 -5.117 1.00 0.00 H new ATOM 802 N GLU A 47 8.447 5.969 -2.342 1.00 0.00 N ATOM 803 CA GLU A 47 9.195 6.419 -1.185 1.00 0.00 C ATOM 804 C GLU A 47 10.382 5.540 -0.841 1.00 0.00 C ATOM 805 O GLU A 47 11.442 6.069 -0.490 1.00 0.00 O ATOM 806 CB GLU A 47 8.299 6.589 0.035 1.00 0.00 C ATOM 807 CG GLU A 47 7.262 7.683 -0.114 1.00 0.00 C ATOM 808 CD GLU A 47 7.884 9.004 -0.472 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.735 9.494 0.289 1.00 0.00 O ATOM 810 OE2 GLU A 47 7.559 9.560 -1.538 1.00 0.00 O ATOM 0 H GLU A 47 7.475 5.737 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 47 9.597 7.391 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.791 5.645 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.921 6.807 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.544 7.400 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.706 7.785 0.818 1.00 0.00 H new ATOM 817 N LEU A 48 10.216 4.227 -0.950 1.00 0.00 N ATOM 818 CA LEU A 48 11.269 3.272 -0.597 1.00 0.00 C ATOM 819 C LEU A 48 12.484 3.451 -1.508 1.00 0.00 C ATOM 820 O LEU A 48 13.616 3.526 -1.029 1.00 0.00 O ATOM 821 CB LEU A 48 10.711 1.812 -0.628 1.00 0.00 C ATOM 822 CG LEU A 48 11.588 0.650 -0.059 1.00 0.00 C ATOM 823 CD1 LEU A 48 12.767 0.300 -0.959 1.00 0.00 C ATOM 824 CD2 LEU A 48 12.074 0.983 1.352 1.00 0.00 C ATOM 0 H LEU A 48 9.355 3.793 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 48 11.603 3.468 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.768 1.809 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.479 1.571 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 48 10.949 -0.232 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.338 -0.513 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.399 -0.011 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.409 1.174 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.683 0.162 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.671 1.895 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.215 1.130 2.007 1.00 0.00 H new ATOM 836 N LYS A 49 12.255 3.564 -2.808 1.00 0.00 N ATOM 837 CA LYS A 49 13.369 3.747 -3.731 1.00 0.00 C ATOM 838 C LYS A 49 13.975 5.135 -3.574 1.00 0.00 C ATOM 839 O LYS A 49 15.180 5.317 -3.708 1.00 0.00 O ATOM 840 CB LYS A 49 12.989 3.476 -5.199 1.00 0.00 C ATOM 841 CG LYS A 49 11.828 4.305 -5.737 1.00 0.00 C ATOM 842 CD LYS A 49 11.628 4.111 -7.238 1.00 0.00 C ATOM 843 CE LYS A 49 11.177 2.705 -7.604 1.00 0.00 C ATOM 844 NZ LYS A 49 9.823 2.402 -7.091 1.00 0.00 N ATOM 0 H LYS A 49 11.332 3.534 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 49 14.118 3.001 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.864 3.659 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.738 2.420 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.913 4.030 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.010 5.360 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.889 4.828 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.562 4.332 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.187 2.593 -8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.886 1.981 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.571 1.423 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.810 2.516 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.135 3.054 -7.520 1.00 0.00 H new ATOM 858 N THR A 50 13.143 6.096 -3.227 1.00 0.00 N ATOM 859 CA THR A 50 13.588 7.457 -3.048 1.00 0.00 C ATOM 860 C THR A 50 14.461 7.590 -1.759 1.00 0.00 C ATOM 861 O THR A 50 15.226 8.548 -1.601 1.00 0.00 O ATOM 862 CB THR A 50 12.380 8.439 -3.031 1.00 0.00 C ATOM 863 OG1 THR A 50 11.602 8.246 -4.221 1.00 0.00 O ATOM 864 CG2 THR A 50 12.841 9.878 -3.016 1.00 0.00 C ATOM 0 H THR A 50 12.146 5.954 -3.063 1.00 0.00 H new ATOM 0 HA THR A 50 14.215 7.728 -3.897 1.00 0.00 H new ATOM 0 HB THR A 50 11.797 8.237 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.137 7.385 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.974 10.538 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.445 10.057 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.437 10.078 -3.906 1.00 0.00 H new ATOM 872 N LYS A 51 14.361 6.590 -0.861 1.00 0.00 N ATOM 873 CA LYS A 51 15.163 6.546 0.373 1.00 0.00 C ATOM 874 C LYS A 51 16.652 6.364 0.051 1.00 0.00 C ATOM 875 O LYS A 51 17.486 6.526 0.927 1.00 0.00 O ATOM 876 CB LYS A 51 14.702 5.416 1.320 1.00 0.00 C ATOM 877 CG LYS A 51 13.266 5.494 1.900 1.00 0.00 C ATOM 878 CD LYS A 51 13.057 6.612 2.943 1.00 0.00 C ATOM 879 CE LYS A 51 12.799 8.003 2.344 1.00 0.00 C ATOM 880 NZ LYS A 51 11.513 8.079 1.608 1.00 0.00 N ATOM 0 H LYS A 51 13.728 5.798 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 51 15.015 7.500 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.795 4.472 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.399 5.377 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.564 5.644 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.020 4.536 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.215 6.343 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.938 6.664 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.800 8.744 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.615 8.261 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.348 9.058 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.551 7.454 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.737 7.779 2.232 1.00 0.00 H new ATOM 894 N LYS A 52 16.944 5.937 -1.204 1.00 0.00 N ATOM 895 CA LYS A 52 18.312 5.747 -1.782 1.00 0.00 C ATOM 896 C LYS A 52 19.207 4.782 -0.985 1.00 0.00 C ATOM 897 O LYS A 52 20.384 4.629 -1.288 1.00 0.00 O ATOM 898 CB LYS A 52 19.055 7.091 -2.080 1.00 0.00 C ATOM 899 CG LYS A 52 19.437 7.940 -0.871 1.00 0.00 C ATOM 900 CD LYS A 52 20.204 9.185 -1.283 1.00 0.00 C ATOM 901 CE LYS A 52 20.556 10.053 -0.079 1.00 0.00 C ATOM 902 NZ LYS A 52 19.357 10.600 0.598 1.00 0.00 N ATOM 0 H LYS A 52 16.209 5.705 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 52 18.120 5.265 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.964 6.862 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.423 7.693 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.536 8.229 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.044 7.348 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.117 8.895 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.607 9.764 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.134 9.463 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.193 10.876 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.648 11.312 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.732 11.042 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.848 9.831 1.078 1.00 0.00 H new ATOM 916 N LYS A 53 18.631 4.089 -0.029 1.00 0.00 N ATOM 917 CA LYS A 53 19.374 3.159 0.805 1.00 0.00 C ATOM 918 C LYS A 53 19.306 1.736 0.232 1.00 0.00 C ATOM 919 O LYS A 53 19.576 0.741 0.903 1.00 0.00 O ATOM 920 CB LYS A 53 18.917 3.283 2.287 1.00 0.00 C ATOM 921 CG LYS A 53 17.408 3.083 2.575 1.00 0.00 C ATOM 922 CD LYS A 53 16.975 1.613 2.615 1.00 0.00 C ATOM 923 CE LYS A 53 17.648 0.848 3.758 1.00 0.00 C ATOM 924 NZ LYS A 53 17.315 1.406 5.092 1.00 0.00 N ATOM 0 H LYS A 53 17.638 4.150 0.195 1.00 0.00 H new ATOM 0 HA LYS A 53 20.433 3.417 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.474 2.554 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.203 4.271 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.165 3.550 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.830 3.602 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.892 1.557 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.221 1.137 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.343 -0.198 3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.729 0.870 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.652 0.759 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.774 2.332 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.284 1.519 5.174 1.00 0.00 H new ATOM 938 N ARG A 54 18.975 1.684 -1.028 1.00 0.00 N ATOM 939 CA ARG A 54 18.924 0.478 -1.812 1.00 0.00 C ATOM 940 C ARG A 54 19.881 0.664 -2.960 1.00 0.00 C ATOM 941 O ARG A 54 19.965 1.759 -3.523 1.00 0.00 O ATOM 942 CB ARG A 54 17.504 0.235 -2.353 1.00 0.00 C ATOM 943 CG ARG A 54 16.503 -0.250 -1.314 1.00 0.00 C ATOM 944 CD ARG A 54 16.736 -1.720 -0.956 1.00 0.00 C ATOM 945 NE ARG A 54 16.451 -2.612 -2.098 1.00 0.00 N ATOM 946 CZ ARG A 54 16.645 -3.944 -2.121 1.00 0.00 C ATOM 947 NH1 ARG A 54 17.186 -4.571 -1.075 1.00 0.00 N ATOM 948 NH2 ARG A 54 16.297 -4.636 -3.200 1.00 0.00 N ATOM 0 H ARG A 54 18.722 2.516 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 54 19.194 -0.384 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 54 17.133 1.162 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 54 17.557 -0.499 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.584 0.362 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.490 -0.123 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.769 -1.857 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.102 -1.994 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 54 16.075 -2.182 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.457 -4.041 -0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.328 -5.581 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.887 -4.158 -4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.440 -5.646 -3.227 1.00 0.00 H new ATOM 962 N TYR A 55 20.588 -0.375 -3.323 1.00 0.00 N ATOM 963 CA TYR A 55 21.550 -0.300 -4.378 1.00 0.00 C ATOM 964 C TYR A 55 20.836 -0.340 -5.736 1.00 0.00 C ATOM 965 O TYR A 55 21.432 -0.051 -6.774 1.00 0.00 O ATOM 966 CB TYR A 55 22.558 -1.440 -4.225 1.00 0.00 C ATOM 967 CG TYR A 55 23.755 -1.290 -5.097 1.00 0.00 C ATOM 968 CD1 TYR A 55 24.658 -0.281 -4.855 1.00 0.00 C ATOM 969 CD2 TYR A 55 23.978 -2.139 -6.159 1.00 0.00 C ATOM 970 CE1 TYR A 55 25.764 -0.111 -5.654 1.00 0.00 C ATOM 971 CE2 TYR A 55 25.081 -1.990 -6.970 1.00 0.00 C ATOM 972 CZ TYR A 55 25.972 -0.969 -6.712 1.00 0.00 C ATOM 973 OH TYR A 55 27.070 -0.800 -7.522 1.00 0.00 O ATOM 0 H TYR A 55 20.509 -1.296 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 55 22.097 0.641 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 55 22.880 -1.494 -3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 55 22.065 -2.385 -4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 55 24.496 0.389 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.276 -2.935 -6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 55 26.463 0.688 -5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 55 25.246 -2.664 -7.798 1.00 0.00 H new ATOM 0 HH TYR A 55 27.071 -1.488 -8.220 1.00 0.00 H new ATOM 983 N SER A 56 19.533 -0.618 -5.687 1.00 0.00 N ATOM 984 CA SER A 56 18.658 -0.697 -6.850 1.00 0.00 C ATOM 985 C SER A 56 18.770 0.557 -7.744 1.00 0.00 C ATOM 986 O SER A 56 18.657 0.466 -8.962 1.00 0.00 O ATOM 987 CB SER A 56 17.233 -0.834 -6.349 1.00 0.00 C ATOM 988 OG SER A 56 17.175 -1.790 -5.300 1.00 0.00 O ATOM 0 H SER A 56 19.046 -0.799 -4.809 1.00 0.00 H new ATOM 0 HA SER A 56 18.952 -1.554 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.870 0.130 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.579 -1.139 -7.166 1.00 0.00 H new ATOM 0 HG SER A 56 16.252 -1.871 -4.982 1.00 0.00 H new ATOM 994 N LEU A 57 19.041 1.710 -7.127 1.00 0.00 N ATOM 995 CA LEU A 57 19.166 2.975 -7.855 1.00 0.00 C ATOM 996 C LEU A 57 20.395 2.970 -8.764 1.00 0.00 C ATOM 997 O LEU A 57 20.399 3.585 -9.823 1.00 0.00 O ATOM 998 CB LEU A 57 19.226 4.197 -6.904 1.00 0.00 C ATOM 999 CG LEU A 57 17.958 4.547 -6.086 1.00 0.00 C ATOM 1000 CD1 LEU A 57 17.658 3.526 -4.999 1.00 0.00 C ATOM 1001 CD2 LEU A 57 18.080 5.942 -5.501 1.00 0.00 C ATOM 0 H LEU A 57 19.179 1.793 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 57 18.268 3.068 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 20.042 4.032 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 57 19.490 5.071 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 57 17.113 4.520 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.759 3.823 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.502 2.547 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 57 18.498 3.475 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 57 17.183 6.176 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.950 5.987 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 57 18.195 6.666 -6.308 1.00 0.00 H new ATOM 1013 N LEU A 58 21.419 2.240 -8.368 1.00 0.00 N ATOM 1014 CA LEU A 58 22.649 2.168 -9.147 1.00 0.00 C ATOM 1015 C LEU A 58 22.563 1.022 -10.131 1.00 0.00 C ATOM 1016 O LEU A 58 23.358 0.916 -11.066 1.00 0.00 O ATOM 1017 CB LEU A 58 23.903 2.015 -8.254 1.00 0.00 C ATOM 1018 CG LEU A 58 24.272 3.194 -7.323 1.00 0.00 C ATOM 1019 CD1 LEU A 58 24.322 4.509 -8.087 1.00 0.00 C ATOM 1020 CD2 LEU A 58 23.348 3.283 -6.112 1.00 0.00 C ATOM 0 H LEU A 58 21.428 1.686 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 58 22.754 3.110 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 58 23.767 1.129 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 58 24.756 1.822 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 58 25.273 2.996 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 58 24.584 5.317 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.072 4.443 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.346 4.710 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 58 23.646 4.125 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 22.321 3.426 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.416 2.361 -5.534 1.00 0.00 H new ATOM 1032 N GLU A 59 21.604 0.161 -9.907 1.00 0.00 N ATOM 1033 CA GLU A 59 21.342 -0.953 -10.795 1.00 0.00 C ATOM 1034 C GLU A 59 20.315 -0.523 -11.835 1.00 0.00 C ATOM 1035 O GLU A 59 19.989 -1.262 -12.767 1.00 0.00 O ATOM 1036 CB GLU A 59 20.830 -2.149 -9.998 1.00 0.00 C ATOM 1037 CG GLU A 59 21.805 -2.633 -8.942 1.00 0.00 C ATOM 1038 CD GLU A 59 21.294 -3.820 -8.176 1.00 0.00 C ATOM 1039 OE1 GLU A 59 21.327 -4.944 -8.715 1.00 0.00 O ATOM 1040 OE2 GLU A 59 20.854 -3.662 -7.033 1.00 0.00 O ATOM 0 H GLU A 59 20.979 0.209 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 59 22.262 -1.250 -11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.890 -1.880 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.614 -2.968 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.750 -2.894 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.013 -1.820 -8.246 1.00 0.00 H new ATOM 1047 N HIS A 60 19.807 0.675 -11.650 1.00 0.00 N ATOM 1048 CA HIS A 60 18.843 1.256 -12.532 1.00 0.00 C ATOM 1049 C HIS A 60 19.587 2.006 -13.622 1.00 0.00 C ATOM 1050 O HIS A 60 19.994 3.157 -13.438 1.00 0.00 O ATOM 1051 CB HIS A 60 17.913 2.207 -11.745 1.00 0.00 C ATOM 1052 CG HIS A 60 16.757 2.778 -12.523 1.00 0.00 C ATOM 1053 ND1 HIS A 60 16.810 3.955 -13.242 1.00 0.00 N ATOM 1054 CD2 HIS A 60 15.489 2.326 -12.650 1.00 0.00 C ATOM 1055 CE1 HIS A 60 15.610 4.180 -13.766 1.00 0.00 C ATOM 1056 NE2 HIS A 60 14.761 3.217 -13.436 1.00 0.00 N ATOM 0 H HIS A 60 20.062 1.276 -10.866 1.00 0.00 H new ATOM 0 HA HIS A 60 18.223 0.481 -12.982 1.00 0.00 H new ATOM 0 HB2 HIS A 60 17.517 1.669 -10.884 1.00 0.00 H new ATOM 0 HB3 HIS A 60 18.510 3.033 -11.358 1.00 0.00 H new ATOM 0 HD2 HIS A 60 15.102 1.418 -12.212 1.00 0.00 H new ATOM 0 HE1 HIS A 60 15.360 5.033 -14.379 1.00 0.00 H new ATOM 0 HE2 HIS A 60 13.779 3.143 -13.702 1.00 0.00 H new ATOM 1064 N HIS A 61 19.855 1.323 -14.694 1.00 0.00 N ATOM 1065 CA HIS A 61 20.512 1.923 -15.827 1.00 0.00 C ATOM 1066 C HIS A 61 19.438 2.474 -16.745 1.00 0.00 C ATOM 1067 O HIS A 61 18.443 1.783 -17.023 1.00 0.00 O ATOM 1068 CB HIS A 61 21.381 0.876 -16.555 1.00 0.00 C ATOM 1069 CG HIS A 61 22.218 1.424 -17.685 1.00 0.00 C ATOM 1070 ND1 HIS A 61 21.959 1.196 -19.020 1.00 0.00 N ATOM 1071 CD2 HIS A 61 23.344 2.177 -17.649 1.00 0.00 C ATOM 1072 CE1 HIS A 61 22.909 1.801 -19.737 1.00 0.00 C ATOM 1073 NE2 HIS A 61 23.781 2.413 -18.948 1.00 0.00 N ATOM 0 H HIS A 61 19.627 0.336 -14.813 1.00 0.00 H new ATOM 0 HA HIS A 61 21.174 2.728 -15.507 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.042 0.404 -15.828 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.731 0.095 -16.949 1.00 0.00 H new ATOM 0 HD2 HIS A 61 23.826 2.537 -16.752 1.00 0.00 H new ATOM 0 HE1 HIS A 61 22.960 1.793 -20.816 1.00 0.00 H new ATOM 0 HE2 HIS A 61 24.602 2.946 -19.234 1.00 0.00 H new ATOM 1081 N HIS A 62 19.600 3.697 -17.171 1.00 0.00 N ATOM 1082 CA HIS A 62 18.627 4.349 -18.026 1.00 0.00 C ATOM 1083 C HIS A 62 19.276 5.509 -18.756 1.00 0.00 C ATOM 1084 O HIS A 62 19.191 5.616 -19.978 1.00 0.00 O ATOM 1085 CB HIS A 62 17.420 4.850 -17.182 1.00 0.00 C ATOM 1086 CG HIS A 62 16.324 5.559 -17.957 1.00 0.00 C ATOM 1087 ND1 HIS A 62 15.105 4.994 -18.270 1.00 0.00 N ATOM 1088 CD2 HIS A 62 16.271 6.831 -18.440 1.00 0.00 C ATOM 1089 CE1 HIS A 62 14.375 5.908 -18.908 1.00 0.00 C ATOM 1090 NE2 HIS A 62 15.036 7.046 -19.040 1.00 0.00 N ATOM 0 H HIS A 62 20.408 4.275 -16.939 1.00 0.00 H new ATOM 0 HA HIS A 62 18.263 3.630 -18.760 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.981 3.996 -16.667 1.00 0.00 H new ATOM 0 HB3 HIS A 62 17.793 5.528 -16.414 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.065 7.559 -18.368 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.372 5.741 -19.271 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.708 7.902 -19.488 1.00 0.00 H new ATOM 1098 N HIS A 63 19.929 6.361 -18.013 1.00 0.00 N ATOM 1099 CA HIS A 63 20.508 7.556 -18.579 1.00 0.00 C ATOM 1100 C HIS A 63 21.984 7.358 -18.900 1.00 0.00 C ATOM 1101 O HIS A 63 22.538 6.267 -18.712 1.00 0.00 O ATOM 1102 CB HIS A 63 20.300 8.769 -17.637 1.00 0.00 C ATOM 1103 CG HIS A 63 20.972 8.670 -16.287 1.00 0.00 C ATOM 1104 ND1 HIS A 63 20.353 8.212 -15.150 1.00 0.00 N ATOM 1105 CD2 HIS A 63 22.233 9.003 -15.915 1.00 0.00 C ATOM 1106 CE1 HIS A 63 21.227 8.281 -14.145 1.00 0.00 C ATOM 1107 NE2 HIS A 63 22.389 8.754 -14.557 1.00 0.00 N ATOM 0 H HIS A 63 20.075 6.252 -17.009 1.00 0.00 H new ATOM 0 HA HIS A 63 19.993 7.764 -19.517 1.00 0.00 H new ATOM 0 HB2 HIS A 63 20.666 9.664 -18.140 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.230 8.906 -17.481 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.995 9.399 -16.570 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.013 7.988 -13.128 1.00 0.00 H new ATOM 0 HE2 HIS A 63 23.227 8.905 -13.995 1.00 0.00 H new ATOM 1115 N HIS A 64 22.590 8.391 -19.397 1.00 0.00 N ATOM 1116 CA HIS A 64 23.989 8.404 -19.723 1.00 0.00 C ATOM 1117 C HIS A 64 24.500 9.807 -19.462 1.00 0.00 C ATOM 1118 O HIS A 64 24.115 10.741 -20.228 1.00 0.00 O ATOM 1119 CB HIS A 64 24.205 7.982 -21.192 1.00 0.00 C ATOM 1120 CG HIS A 64 25.637 7.932 -21.649 1.00 0.00 C ATOM 1121 ND1 HIS A 64 26.227 8.891 -22.444 1.00 0.00 N ATOM 1122 CD2 HIS A 64 26.582 6.984 -21.449 1.00 0.00 C ATOM 1123 CE1 HIS A 64 27.474 8.503 -22.703 1.00 0.00 C ATOM 1124 NE2 HIS A 64 27.745 7.347 -22.120 1.00 0.00 N ATOM 1125 OXT HIS A 64 25.241 10.008 -18.481 1.00 0.00 O ATOM 0 H HIS A 64 22.117 9.273 -19.594 1.00 0.00 H new ATOM 0 HA HIS A 64 24.540 7.691 -19.110 1.00 0.00 H new ATOM 0 HB2 HIS A 64 23.761 6.997 -21.338 1.00 0.00 H new ATOM 0 HB3 HIS A 64 23.661 8.675 -21.834 1.00 0.00 H new ATOM 0 HD2 HIS A 64 26.453 6.087 -20.861 1.00 0.00 H new ATOM 0 HE1 HIS A 64 28.173 9.059 -23.310 1.00 0.00 H new ATOM 0 HE2 HIS A 64 28.623 6.830 -22.155 1.00 0.00 H new TER 1133 HIS A 64