USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 78 LYS NZ :NH3+ 178:sc= 0.81 (180deg=-0.0346) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.106 K(o=0.7,f=-5.8!) USER MOD Set 2.1: A 73 GLN :FLIP amide:sc= -0.0484 F(o=-1.4,f=-0.029) USER MOD Set 2.2: A 74 TYR OH : rot 104:sc= 0.0191 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-9.6!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.0332 USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= -0.085 USER MOD Set 4.2: A 27 SER OG : rot -55:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00573 (180deg=-0.185) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.117 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 150:sc= -0.0759 USER MOD Single : A 3 SER OG : rot 180:sc= -0.167 USER MOD Single : A 4 THR OG1 : rot 150:sc= 0.341 USER MOD Single : A 10 THR OG1 : rot 69:sc= 0.0955 USER MOD Single : A 15 THR OG1 : rot 80:sc= 0.882 USER MOD Single : A 16 CYS SG : rot 88:sc= -2.74! USER MOD Single : A 22 THR OG1 : rot -20:sc= 0.522 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -101:sc= -0.578 (180deg=-2.58!) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0.472 (180deg=0.469) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 62 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.0064) USER MOD Single : A 65 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00842 USER MOD Single : A 91 LYS NZ :NH3+ 174:sc=-0.00352 (180deg=-0.0648) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.823 20.356 3.163 1.00 0.00 N ATOM 2 CA MET A 1 -2.229 19.103 2.491 1.00 0.00 C ATOM 3 C MET A 1 -2.281 17.958 3.516 1.00 0.00 C ATOM 4 O MET A 1 -1.822 18.114 4.658 1.00 0.00 O ATOM 5 CB MET A 1 -1.255 18.770 1.326 1.00 0.00 C ATOM 6 CG MET A 1 0.174 18.419 1.754 1.00 0.00 C ATOM 7 SD MET A 1 1.257 18.060 0.363 1.00 0.00 S ATOM 8 CE MET A 1 1.423 19.667 -0.422 1.00 0.00 C ATOM 0 H1 MET A 1 -2.594 21.051 3.096 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.617 20.162 4.164 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.972 20.737 2.702 1.00 0.00 H new ATOM 0 HA MET A 1 -3.224 19.231 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.664 17.934 0.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.216 19.624 0.650 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.590 19.248 2.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.147 17.555 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.226 19.631 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.488 19.928 -0.917 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.656 20.418 0.333 1.00 0.00 H new ATOM 20 N THR A 2 -2.831 16.808 3.096 1.00 0.00 N ATOM 21 CA THR A 2 -2.989 15.628 3.961 1.00 0.00 C ATOM 22 C THR A 2 -1.802 14.659 3.783 1.00 0.00 C ATOM 23 O THR A 2 -1.103 14.703 2.758 1.00 0.00 O ATOM 24 CB THR A 2 -4.350 14.910 3.683 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.646 14.004 4.743 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.368 14.143 2.346 1.00 0.00 C ATOM 0 H THR A 2 -3.179 16.670 2.147 1.00 0.00 H new ATOM 0 HA THR A 2 -2.997 15.964 4.998 1.00 0.00 H new ATOM 0 HB THR A 2 -5.106 15.693 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.618 13.927 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.340 13.667 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.188 14.838 1.526 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.589 13.381 2.353 1.00 0.00 H new ATOM 34 N SER A 3 -1.584 13.800 4.801 1.00 0.00 N ATOM 35 CA SER A 3 -0.438 12.868 4.867 1.00 0.00 C ATOM 36 C SER A 3 -0.510 11.770 3.784 1.00 0.00 C ATOM 37 O SER A 3 -1.572 11.522 3.187 1.00 0.00 O ATOM 38 CB SER A 3 -0.364 12.223 6.279 1.00 0.00 C ATOM 39 OG SER A 3 0.718 11.304 6.392 1.00 0.00 O ATOM 0 H SER A 3 -2.204 13.733 5.608 1.00 0.00 H new ATOM 0 HA SER A 3 0.466 13.447 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.254 13.006 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.301 11.707 6.491 1.00 0.00 H new ATOM 0 HG SER A 3 0.730 10.922 7.295 1.00 0.00 H new ATOM 45 N THR A 4 0.652 11.105 3.584 1.00 0.00 N ATOM 46 CA THR A 4 0.816 9.987 2.634 1.00 0.00 C ATOM 47 C THR A 4 -0.175 8.852 2.954 1.00 0.00 C ATOM 48 O THR A 4 -0.710 8.225 2.044 1.00 0.00 O ATOM 49 CB THR A 4 2.280 9.429 2.663 1.00 0.00 C ATOM 50 OG1 THR A 4 3.206 10.510 2.466 1.00 0.00 O ATOM 51 CG2 THR A 4 2.522 8.348 1.586 1.00 0.00 C ATOM 0 H THR A 4 1.510 11.335 4.085 1.00 0.00 H new ATOM 0 HA THR A 4 0.610 10.372 1.635 1.00 0.00 H new ATOM 0 HB THR A 4 2.432 8.962 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.044 10.312 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.551 7.995 1.650 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.841 7.513 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.344 8.773 0.598 1.00 0.00 H new ATOM 59 N PHE A 5 -0.450 8.656 4.261 1.00 0.00 N ATOM 60 CA PHE A 5 -1.425 7.648 4.723 1.00 0.00 C ATOM 61 C PHE A 5 -2.821 7.901 4.132 1.00 0.00 C ATOM 62 O PHE A 5 -3.410 7.011 3.525 1.00 0.00 O ATOM 63 CB PHE A 5 -1.505 7.595 6.277 1.00 0.00 C ATOM 64 CG PHE A 5 -2.718 6.798 6.789 1.00 0.00 C ATOM 65 CD1 PHE A 5 -2.808 5.421 6.581 1.00 0.00 C ATOM 66 CD2 PHE A 5 -3.801 7.444 7.398 1.00 0.00 C ATOM 67 CE1 PHE A 5 -3.935 4.723 6.961 1.00 0.00 C ATOM 68 CE2 PHE A 5 -4.917 6.735 7.789 1.00 0.00 C ATOM 69 CZ PHE A 5 -4.988 5.377 7.564 1.00 0.00 C ATOM 0 H PHE A 5 -0.010 9.184 5.015 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.069 6.682 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.591 7.147 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.554 8.611 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.986 4.896 6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.762 8.511 7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.993 3.659 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.737 7.245 8.273 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.868 4.826 7.860 1.00 0.00 H new ATOM 79 N ASP A 6 -3.320 9.117 4.340 1.00 0.00 N ATOM 80 CA ASP A 6 -4.689 9.512 3.966 1.00 0.00 C ATOM 81 C ASP A 6 -4.851 9.486 2.427 1.00 0.00 C ATOM 82 O ASP A 6 -5.936 9.214 1.908 1.00 0.00 O ATOM 83 CB ASP A 6 -4.968 10.910 4.567 1.00 0.00 C ATOM 84 CG ASP A 6 -6.448 11.327 4.530 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.252 10.757 5.296 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.827 12.219 3.747 1.00 0.00 O ATOM 0 H ASP A 6 -2.786 9.868 4.777 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.420 8.810 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.624 10.924 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.380 11.650 4.025 1.00 0.00 H new ATOM 91 N ARG A 7 -3.730 9.718 1.722 1.00 0.00 N ATOM 92 CA ARG A 7 -3.649 9.607 0.251 1.00 0.00 C ATOM 93 C ARG A 7 -3.755 8.131 -0.219 1.00 0.00 C ATOM 94 O ARG A 7 -4.480 7.828 -1.171 1.00 0.00 O ATOM 95 CB ARG A 7 -2.328 10.258 -0.238 1.00 0.00 C ATOM 96 CG ARG A 7 -2.224 11.799 -0.051 1.00 0.00 C ATOM 97 CD ARG A 7 -2.989 12.607 -1.124 1.00 0.00 C ATOM 98 NE ARG A 7 -4.447 12.351 -1.125 1.00 0.00 N ATOM 99 CZ ARG A 7 -5.202 12.131 -2.219 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.664 12.129 -3.433 1.00 0.00 N ATOM 101 NH2 ARG A 7 -6.496 11.910 -2.092 1.00 0.00 N ATOM 0 H ARG A 7 -2.848 9.990 2.157 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.495 10.137 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.497 9.790 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.202 10.030 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.609 12.064 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.173 12.089 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.815 13.670 -0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.585 12.365 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.920 12.340 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.664 12.296 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.250 11.961 -4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.924 11.906 -1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.069 11.743 -2.920 1.00 0.00 H new ATOM 115 N VAL A 8 -3.006 7.233 0.448 1.00 0.00 N ATOM 116 CA VAL A 8 -3.063 5.767 0.190 1.00 0.00 C ATOM 117 C VAL A 8 -4.458 5.209 0.544 1.00 0.00 C ATOM 118 O VAL A 8 -4.986 4.332 -0.143 1.00 0.00 O ATOM 119 CB VAL A 8 -1.951 5.000 1.010 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.065 3.455 0.861 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.541 5.485 0.597 1.00 0.00 C ATOM 0 H VAL A 8 -2.344 7.494 1.179 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.876 5.609 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.112 5.232 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.279 2.974 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.038 3.125 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.958 3.182 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.212 4.946 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.389 5.298 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.452 6.553 0.794 1.00 0.00 H new ATOM 131 N ALA A 9 -5.044 5.783 1.606 1.00 0.00 N ATOM 132 CA ALA A 9 -6.371 5.408 2.127 1.00 0.00 C ATOM 133 C ALA A 9 -7.457 5.689 1.073 1.00 0.00 C ATOM 134 O ALA A 9 -8.384 4.893 0.894 1.00 0.00 O ATOM 135 CB ALA A 9 -6.663 6.180 3.424 1.00 0.00 C ATOM 0 H ALA A 9 -4.603 6.534 2.137 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.376 4.341 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.645 5.897 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.904 5.940 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.647 7.251 3.222 1.00 0.00 H new ATOM 141 N THR A 10 -7.309 6.848 0.395 1.00 0.00 N ATOM 142 CA THR A 10 -8.122 7.225 -0.767 1.00 0.00 C ATOM 143 C THR A 10 -8.039 6.159 -1.873 1.00 0.00 C ATOM 144 O THR A 10 -9.067 5.695 -2.364 1.00 0.00 O ATOM 145 CB THR A 10 -7.665 8.605 -1.342 1.00 0.00 C ATOM 146 OG1 THR A 10 -7.893 9.643 -0.380 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.364 8.968 -2.666 1.00 0.00 C ATOM 0 H THR A 10 -6.613 7.550 0.647 1.00 0.00 H new ATOM 0 HA THR A 10 -9.155 7.302 -0.429 1.00 0.00 H new ATOM 0 HB THR A 10 -6.600 8.514 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.277 9.532 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.004 9.936 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.142 8.208 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.441 9.017 -2.507 1.00 0.00 H new ATOM 155 N ILE A 11 -6.799 5.762 -2.218 1.00 0.00 N ATOM 156 CA ILE A 11 -6.537 4.807 -3.310 1.00 0.00 C ATOM 157 C ILE A 11 -7.232 3.465 -3.037 1.00 0.00 C ATOM 158 O ILE A 11 -7.932 2.950 -3.891 1.00 0.00 O ATOM 159 CB ILE A 11 -4.993 4.572 -3.523 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.279 5.892 -3.954 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.724 3.426 -4.538 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.771 6.478 -5.262 1.00 0.00 C ATOM 0 H ILE A 11 -5.955 6.093 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.944 5.244 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.572 4.262 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.410 6.634 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.209 5.701 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.649 3.293 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.165 2.501 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.169 3.680 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.219 7.392 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.614 5.758 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.834 6.706 -5.182 1.00 0.00 H new ATOM 174 N ILE A 12 -7.039 2.933 -1.834 1.00 0.00 N ATOM 175 CA ILE A 12 -7.614 1.642 -1.418 1.00 0.00 C ATOM 176 C ILE A 12 -9.160 1.705 -1.384 1.00 0.00 C ATOM 177 O ILE A 12 -9.839 0.741 -1.765 1.00 0.00 O ATOM 178 CB ILE A 12 -7.016 1.222 -0.033 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.465 1.085 -0.163 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.654 -0.076 0.513 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.744 0.733 1.114 1.00 0.00 C ATOM 0 H ILE A 12 -6.477 3.382 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.348 0.880 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.250 2.001 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.245 0.321 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.063 2.025 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.206 -0.325 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.727 0.071 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.480 -0.891 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.674 0.661 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.926 1.507 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.110 -0.224 1.487 1.00 0.00 H new ATOM 193 N ALA A 13 -9.691 2.864 -0.964 1.00 0.00 N ATOM 194 CA ALA A 13 -11.139 3.138 -0.950 1.00 0.00 C ATOM 195 C ALA A 13 -11.751 3.080 -2.368 1.00 0.00 C ATOM 196 O ALA A 13 -12.787 2.449 -2.574 1.00 0.00 O ATOM 197 CB ALA A 13 -11.417 4.507 -0.301 1.00 0.00 C ATOM 0 H ALA A 13 -9.126 3.642 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.615 2.357 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.490 4.697 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.045 4.506 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.913 5.288 -0.869 1.00 0.00 H new ATOM 203 N GLU A 14 -11.104 3.753 -3.333 1.00 0.00 N ATOM 204 CA GLU A 14 -11.586 3.830 -4.730 1.00 0.00 C ATOM 205 C GLU A 14 -11.367 2.507 -5.502 1.00 0.00 C ATOM 206 O GLU A 14 -12.306 1.971 -6.095 1.00 0.00 O ATOM 207 CB GLU A 14 -10.882 5.001 -5.466 1.00 0.00 C ATOM 208 CG GLU A 14 -11.040 6.381 -4.786 1.00 0.00 C ATOM 209 CD GLU A 14 -12.506 6.794 -4.543 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.163 7.280 -5.489 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.011 6.640 -3.402 1.00 0.00 O ATOM 0 H GLU A 14 -10.233 4.260 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.661 4.008 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.820 4.772 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.276 5.064 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.514 6.367 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.558 7.137 -5.405 1.00 0.00 H new ATOM 218 N THR A 15 -10.123 1.997 -5.467 1.00 0.00 N ATOM 219 CA THR A 15 -9.675 0.833 -6.261 1.00 0.00 C ATOM 220 C THR A 15 -10.384 -0.454 -5.809 1.00 0.00 C ATOM 221 O THR A 15 -11.074 -1.102 -6.599 1.00 0.00 O ATOM 222 CB THR A 15 -8.117 0.642 -6.156 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.454 1.886 -6.443 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.588 -0.437 -7.122 1.00 0.00 C ATOM 0 H THR A 15 -9.387 2.386 -4.878 1.00 0.00 H new ATOM 0 HA THR A 15 -9.937 1.031 -7.300 1.00 0.00 H new ATOM 0 HB THR A 15 -7.904 0.315 -5.138 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.478 2.460 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.508 -0.529 -7.009 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.059 -1.393 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.823 -0.153 -8.148 1.00 0.00 H new ATOM 232 N CYS A 16 -10.234 -0.788 -4.518 1.00 0.00 N ATOM 233 CA CYS A 16 -10.761 -2.034 -3.929 1.00 0.00 C ATOM 234 C CYS A 16 -12.251 -1.903 -3.543 1.00 0.00 C ATOM 235 O CYS A 16 -12.903 -2.910 -3.230 1.00 0.00 O ATOM 236 CB CYS A 16 -9.907 -2.408 -2.697 1.00 0.00 C ATOM 237 SG CYS A 16 -10.372 -3.946 -1.887 1.00 0.00 S ATOM 0 H CYS A 16 -9.741 -0.199 -3.847 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.698 -2.826 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.864 -2.478 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.971 -1.598 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.749 -4.938 -2.450 1.00 0.00 H new ATOM 243 N ASP A 17 -12.780 -0.657 -3.596 1.00 0.00 N ATOM 244 CA ASP A 17 -14.155 -0.312 -3.176 1.00 0.00 C ATOM 245 C ASP A 17 -14.377 -0.692 -1.696 1.00 0.00 C ATOM 246 O ASP A 17 -14.951 -1.737 -1.375 1.00 0.00 O ATOM 247 CB ASP A 17 -15.229 -0.937 -4.116 1.00 0.00 C ATOM 248 CG ASP A 17 -16.652 -0.423 -3.823 1.00 0.00 C ATOM 249 OD1 ASP A 17 -16.990 0.700 -4.262 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.434 -1.118 -3.139 1.00 0.00 O ATOM 0 H ASP A 17 -12.253 0.147 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.274 0.768 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.973 -0.713 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.211 -2.022 -4.010 1.00 0.00 H new ATOM 255 N ILE A 18 -13.835 0.142 -0.800 1.00 0.00 N ATOM 256 CA ILE A 18 -13.902 -0.057 0.664 1.00 0.00 C ATOM 257 C ILE A 18 -14.449 1.226 1.327 1.00 0.00 C ATOM 258 O ILE A 18 -14.027 2.329 0.942 1.00 0.00 O ATOM 259 CB ILE A 18 -12.480 -0.410 1.272 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.906 -1.711 0.619 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.522 -0.530 2.826 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.608 -2.210 1.225 1.00 0.00 C ATOM 0 H ILE A 18 -13.330 0.986 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.567 -0.897 0.865 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.810 0.416 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.654 -2.500 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.747 -1.527 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.527 -0.773 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.850 0.417 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.219 -1.318 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.289 -3.115 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.840 -1.443 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.761 -2.431 2.281 1.00 0.00 H new ATOM 274 N PRO A 19 -15.415 1.107 2.312 1.00 0.00 N ATOM 275 CA PRO A 19 -15.838 2.236 3.182 1.00 0.00 C ATOM 276 C PRO A 19 -14.618 2.956 3.803 1.00 0.00 C ATOM 277 O PRO A 19 -13.815 2.346 4.516 1.00 0.00 O ATOM 278 CB PRO A 19 -16.740 1.559 4.268 1.00 0.00 C ATOM 279 CG PRO A 19 -16.531 0.082 4.094 1.00 0.00 C ATOM 280 CD PRO A 19 -16.194 -0.118 2.636 1.00 0.00 C ATOM 0 HA PRO A 19 -16.371 3.014 2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.457 1.881 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.788 1.827 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.725 -0.277 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.427 -0.474 4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.610 -1.024 2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.090 -0.203 2.021 1.00 0.00 H new ATOM 288 N ARG A 20 -14.487 4.252 3.492 1.00 0.00 N ATOM 289 CA ARG A 20 -13.361 5.101 3.938 1.00 0.00 C ATOM 290 C ARG A 20 -13.373 5.271 5.482 1.00 0.00 C ATOM 291 O ARG A 20 -12.327 5.494 6.106 1.00 0.00 O ATOM 292 CB ARG A 20 -13.448 6.474 3.215 1.00 0.00 C ATOM 293 CG ARG A 20 -12.272 7.437 3.466 1.00 0.00 C ATOM 294 CD ARG A 20 -10.942 6.979 2.834 1.00 0.00 C ATOM 295 NE ARG A 20 -9.862 7.920 3.157 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.489 8.959 2.399 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.055 9.177 1.222 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.551 9.775 2.825 1.00 0.00 N ATOM 0 H ARG A 20 -15.165 4.752 2.917 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.417 4.622 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.524 6.295 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.370 6.968 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.530 8.420 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.132 7.551 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.685 5.984 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.054 6.904 1.752 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.355 7.770 4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.784 8.550 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.762 9.972 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.109 9.616 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.265 10.567 2.250 1.00 0.00 H new ATOM 312 N GLU A 21 -14.582 5.123 6.068 1.00 0.00 N ATOM 313 CA GLU A 21 -14.828 5.211 7.524 1.00 0.00 C ATOM 314 C GLU A 21 -14.138 4.059 8.297 1.00 0.00 C ATOM 315 O GLU A 21 -13.704 4.241 9.443 1.00 0.00 O ATOM 316 CB GLU A 21 -16.364 5.184 7.800 1.00 0.00 C ATOM 317 CG GLU A 21 -17.068 3.873 7.380 1.00 0.00 C ATOM 318 CD GLU A 21 -18.568 3.839 7.701 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.939 4.096 8.869 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.388 3.550 6.796 1.00 0.00 O ATOM 0 H GLU A 21 -15.429 4.936 5.532 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.402 6.150 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.532 5.347 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.830 6.017 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.933 3.728 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.581 3.035 7.879 1.00 0.00 H new ATOM 327 N THR A 22 -14.061 2.872 7.663 1.00 0.00 N ATOM 328 CA THR A 22 -13.489 1.664 8.282 1.00 0.00 C ATOM 329 C THR A 22 -11.972 1.603 8.078 1.00 0.00 C ATOM 330 O THR A 22 -11.274 0.877 8.798 1.00 0.00 O ATOM 331 CB THR A 22 -14.160 0.365 7.721 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.003 0.285 6.295 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.655 0.295 8.065 1.00 0.00 C ATOM 0 H THR A 22 -14.393 2.726 6.710 1.00 0.00 H new ATOM 0 HA THR A 22 -13.692 1.722 9.351 1.00 0.00 H new ATOM 0 HB THR A 22 -13.656 -0.477 8.195 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.807 1.176 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.080 -0.622 7.656 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.780 0.302 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.168 1.155 7.635 1.00 0.00 H new ATOM 341 N ILE A 23 -11.460 2.381 7.107 1.00 0.00 N ATOM 342 CA ILE A 23 -10.035 2.399 6.765 1.00 0.00 C ATOM 343 C ILE A 23 -9.248 3.071 7.902 1.00 0.00 C ATOM 344 O ILE A 23 -9.398 4.268 8.141 1.00 0.00 O ATOM 345 CB ILE A 23 -9.816 3.147 5.389 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.369 2.278 4.214 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.340 3.542 5.160 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.235 2.895 2.832 1.00 0.00 C ATOM 0 H ILE A 23 -12.026 3.013 6.541 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.669 1.379 6.648 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.375 4.082 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.851 1.319 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.423 2.071 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.244 4.052 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.013 4.207 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.720 2.646 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.648 2.214 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.779 3.839 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.182 3.075 2.614 1.00 0.00 H new ATOM 360 N THR A 24 -8.460 2.266 8.627 1.00 0.00 N ATOM 361 CA THR A 24 -7.630 2.726 9.752 1.00 0.00 C ATOM 362 C THR A 24 -6.144 2.433 9.451 1.00 0.00 C ATOM 363 O THR A 24 -5.849 1.581 8.606 1.00 0.00 O ATOM 364 CB THR A 24 -8.065 2.021 11.086 1.00 0.00 C ATOM 365 OG1 THR A 24 -7.958 0.596 10.956 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.502 2.394 11.490 1.00 0.00 C ATOM 0 H THR A 24 -8.379 1.265 8.448 1.00 0.00 H new ATOM 0 HA THR A 24 -7.767 3.800 9.876 1.00 0.00 H new ATOM 0 HB THR A 24 -7.392 2.370 11.869 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.231 0.170 11.795 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.763 1.885 12.418 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.571 3.472 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.192 2.090 10.703 1.00 0.00 H new ATOM 374 N PRO A 25 -5.172 3.144 10.110 1.00 0.00 N ATOM 375 CA PRO A 25 -3.728 2.848 9.954 1.00 0.00 C ATOM 376 C PRO A 25 -3.380 1.397 10.344 1.00 0.00 C ATOM 377 O PRO A 25 -2.518 0.779 9.725 1.00 0.00 O ATOM 378 CB PRO A 25 -3.031 3.889 10.881 1.00 0.00 C ATOM 379 CG PRO A 25 -4.108 4.375 11.797 1.00 0.00 C ATOM 380 CD PRO A 25 -5.385 4.316 10.995 1.00 0.00 C ATOM 0 HA PRO A 25 -3.400 2.928 8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.213 3.434 11.440 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.605 4.709 10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.176 3.750 12.687 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.905 5.391 12.135 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.257 4.185 11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.544 5.230 10.423 1.00 0.00 H new ATOM 388 N GLU A 26 -4.101 0.846 11.332 1.00 0.00 N ATOM 389 CA GLU A 26 -3.802 -0.486 11.898 1.00 0.00 C ATOM 390 C GLU A 26 -4.531 -1.622 11.151 1.00 0.00 C ATOM 391 O GLU A 26 -4.214 -2.796 11.372 1.00 0.00 O ATOM 392 CB GLU A 26 -4.139 -0.502 13.408 1.00 0.00 C ATOM 393 CG GLU A 26 -3.310 0.500 14.241 1.00 0.00 C ATOM 394 CD GLU A 26 -3.674 0.501 15.737 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.638 1.191 16.121 1.00 0.00 O ATOM 396 OE2 GLU A 26 -2.999 -0.190 16.528 1.00 0.00 O ATOM 0 H GLU A 26 -4.904 1.305 11.762 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.736 -0.671 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.198 -0.279 13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.975 -1.507 13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.252 0.263 14.132 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.455 1.503 13.839 1.00 0.00 H new ATOM 403 N SER A 27 -5.499 -1.286 10.261 1.00 0.00 N ATOM 404 CA SER A 27 -6.203 -2.307 9.450 1.00 0.00 C ATOM 405 C SER A 27 -5.239 -2.886 8.393 1.00 0.00 C ATOM 406 O SER A 27 -4.569 -2.133 7.676 1.00 0.00 O ATOM 407 CB SER A 27 -7.489 -1.731 8.793 1.00 0.00 C ATOM 408 OG SER A 27 -7.228 -0.617 7.966 1.00 0.00 O ATOM 0 H SER A 27 -5.806 -0.328 10.089 1.00 0.00 H new ATOM 0 HA SER A 27 -6.524 -3.113 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.971 -2.511 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.192 -1.441 9.574 1.00 0.00 H new ATOM 0 HG SER A 27 -6.741 0.063 8.477 1.00 0.00 H new ATOM 414 N HIS A 28 -5.133 -4.220 8.359 1.00 0.00 N ATOM 415 CA HIS A 28 -4.268 -4.958 7.425 1.00 0.00 C ATOM 416 C HIS A 28 -5.077 -5.307 6.170 1.00 0.00 C ATOM 417 O HIS A 28 -6.216 -5.751 6.294 1.00 0.00 O ATOM 418 CB HIS A 28 -3.745 -6.243 8.116 1.00 0.00 C ATOM 419 CG HIS A 28 -2.759 -7.046 7.299 1.00 0.00 C ATOM 420 ND1 HIS A 28 -3.161 -7.825 6.244 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.430 -7.209 7.469 1.00 0.00 C ATOM 422 CE1 HIS A 28 -2.077 -8.433 5.815 1.00 0.00 C ATOM 423 NE2 HIS A 28 -1.003 -8.091 6.529 1.00 0.00 N ATOM 0 H HIS A 28 -5.654 -4.829 8.990 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.412 -4.347 7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.273 -5.965 9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.596 -6.879 8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.818 -6.726 8.216 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.058 -9.125 4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.049 -8.426 6.395 1.00 0.00 H new ATOM 431 N ALA A 29 -4.502 -5.063 4.980 1.00 0.00 N ATOM 432 CA ALA A 29 -5.156 -5.336 3.684 1.00 0.00 C ATOM 433 C ALA A 29 -5.744 -6.766 3.601 1.00 0.00 C ATOM 434 O ALA A 29 -6.956 -6.916 3.470 1.00 0.00 O ATOM 435 CB ALA A 29 -4.183 -5.066 2.525 1.00 0.00 C ATOM 0 H ALA A 29 -3.566 -4.669 4.887 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.001 -4.653 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.680 -5.272 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.868 -4.023 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.310 -5.711 2.625 1.00 0.00 H new ATOM 441 N ILE A 30 -4.900 -7.801 3.746 1.00 0.00 N ATOM 442 CA ILE A 30 -5.342 -9.207 3.593 1.00 0.00 C ATOM 443 C ILE A 30 -6.198 -9.635 4.801 1.00 0.00 C ATOM 444 O ILE A 30 -7.368 -10.008 4.649 1.00 0.00 O ATOM 445 CB ILE A 30 -4.128 -10.204 3.423 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.129 -9.695 2.331 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.629 -11.632 3.092 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.872 -10.539 2.168 1.00 0.00 C ATOM 0 H ILE A 30 -3.910 -7.697 3.968 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.939 -9.254 2.682 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.593 -10.245 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.649 -9.655 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.835 -8.675 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.775 -12.300 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.266 -11.990 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.198 -11.612 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.243 -10.108 1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.323 -10.559 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.150 -11.555 1.888 1.00 0.00 H new ATOM 460 N ASP A 31 -5.594 -9.518 5.991 1.00 0.00 N ATOM 461 CA ASP A 31 -6.151 -10.001 7.270 1.00 0.00 C ATOM 462 C ASP A 31 -7.513 -9.366 7.607 1.00 0.00 C ATOM 463 O ASP A 31 -8.474 -10.073 7.916 1.00 0.00 O ATOM 464 CB ASP A 31 -5.106 -9.737 8.394 1.00 0.00 C ATOM 465 CG ASP A 31 -5.617 -10.008 9.821 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.645 -11.182 10.243 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.997 -9.046 10.528 1.00 0.00 O ATOM 0 H ASP A 31 -4.682 -9.074 6.098 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.344 -11.070 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.230 -10.360 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.778 -8.699 8.331 1.00 0.00 H new ATOM 472 N ASP A 32 -7.587 -8.031 7.520 1.00 0.00 N ATOM 473 CA ASP A 32 -8.776 -7.269 7.949 1.00 0.00 C ATOM 474 C ASP A 32 -9.664 -6.883 6.749 1.00 0.00 C ATOM 475 O ASP A 32 -10.833 -7.282 6.680 1.00 0.00 O ATOM 476 CB ASP A 32 -8.338 -6.019 8.752 1.00 0.00 C ATOM 477 CG ASP A 32 -9.532 -5.197 9.263 1.00 0.00 C ATOM 478 OD1 ASP A 32 -10.246 -5.679 10.172 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.775 -4.080 8.759 1.00 0.00 O ATOM 0 H ASP A 32 -6.833 -7.449 7.154 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.379 -7.906 8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.727 -6.331 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.710 -5.389 8.122 1.00 0.00 H new ATOM 484 N LEU A 33 -9.089 -6.138 5.791 1.00 0.00 N ATOM 485 CA LEU A 33 -9.844 -5.525 4.673 1.00 0.00 C ATOM 486 C LEU A 33 -10.267 -6.573 3.615 1.00 0.00 C ATOM 487 O LEU A 33 -11.060 -6.260 2.722 1.00 0.00 O ATOM 488 CB LEU A 33 -8.994 -4.410 4.008 1.00 0.00 C ATOM 489 CG LEU A 33 -8.564 -3.209 4.908 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.663 -2.230 4.124 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.793 -2.486 5.503 1.00 0.00 C ATOM 0 H LEU A 33 -8.089 -5.941 5.765 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.755 -5.093 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.092 -4.869 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.557 -4.014 3.163 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.983 -3.605 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.376 -1.401 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.768 -2.752 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.208 -1.845 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.460 -1.655 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.419 -2.107 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.368 -3.185 6.110 1.00 0.00 H new ATOM 503 N GLY A 34 -9.708 -7.803 3.702 1.00 0.00 N ATOM 504 CA GLY A 34 -10.064 -8.899 2.781 1.00 0.00 C ATOM 505 C GLY A 34 -9.385 -8.801 1.411 1.00 0.00 C ATOM 506 O GLY A 34 -9.688 -9.592 0.512 1.00 0.00 O ATOM 0 H GLY A 34 -9.010 -8.057 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.796 -9.850 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.145 -8.906 2.641 1.00 0.00 H new ATOM 510 N ILE A 35 -8.475 -7.828 1.262 1.00 0.00 N ATOM 511 CA ILE A 35 -7.694 -7.604 0.032 1.00 0.00 C ATOM 512 C ILE A 35 -6.612 -8.683 -0.106 1.00 0.00 C ATOM 513 O ILE A 35 -5.582 -8.605 0.565 1.00 0.00 O ATOM 514 CB ILE A 35 -6.974 -6.204 0.063 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.977 -5.052 0.336 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.173 -5.949 -1.240 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.313 -3.709 0.617 1.00 0.00 C ATOM 0 H ILE A 35 -8.256 -7.163 2.003 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.389 -7.641 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.264 -6.225 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.637 -4.947 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.603 -5.322 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.689 -4.974 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.416 -6.724 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.851 -5.970 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.079 -2.955 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.674 -3.796 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.710 -3.415 -0.242 1.00 0.00 H new ATOM 529 N ASP A 36 -6.835 -9.668 -0.977 1.00 0.00 N ATOM 530 CA ASP A 36 -5.831 -10.704 -1.269 1.00 0.00 C ATOM 531 C ASP A 36 -4.644 -10.067 -2.034 1.00 0.00 C ATOM 532 O ASP A 36 -4.814 -9.023 -2.683 1.00 0.00 O ATOM 533 CB ASP A 36 -6.484 -11.849 -2.099 1.00 0.00 C ATOM 534 CG ASP A 36 -5.546 -13.043 -2.333 1.00 0.00 C ATOM 535 OD1 ASP A 36 -5.376 -13.871 -1.415 1.00 0.00 O ATOM 536 OD2 ASP A 36 -4.952 -13.146 -3.419 1.00 0.00 O ATOM 0 H ASP A 36 -7.706 -9.774 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.455 -11.131 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.380 -12.196 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.803 -11.453 -3.063 1.00 0.00 H new ATOM 541 N SER A 37 -3.453 -10.695 -1.960 1.00 0.00 N ATOM 542 CA SER A 37 -2.224 -10.208 -2.629 1.00 0.00 C ATOM 543 C SER A 37 -2.397 -10.044 -4.169 1.00 0.00 C ATOM 544 O SER A 37 -1.628 -9.310 -4.805 1.00 0.00 O ATOM 545 CB SER A 37 -1.039 -11.149 -2.284 1.00 0.00 C ATOM 546 OG SER A 37 0.200 -10.664 -2.789 1.00 0.00 O ATOM 0 H SER A 37 -3.313 -11.557 -1.433 1.00 0.00 H new ATOM 0 HA SER A 37 -2.011 -9.208 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.969 -11.260 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.233 -12.140 -2.694 1.00 0.00 H new ATOM 0 HG SER A 37 0.918 -11.286 -2.547 1.00 0.00 H new ATOM 552 N LEU A 38 -3.446 -10.665 -4.754 1.00 0.00 N ATOM 553 CA LEU A 38 -3.754 -10.555 -6.193 1.00 0.00 C ATOM 554 C LEU A 38 -4.633 -9.320 -6.464 1.00 0.00 C ATOM 555 O LEU A 38 -4.480 -8.651 -7.486 1.00 0.00 O ATOM 556 CB LEU A 38 -4.443 -11.850 -6.706 1.00 0.00 C ATOM 557 CG LEU A 38 -3.674 -13.189 -6.450 1.00 0.00 C ATOM 558 CD1 LEU A 38 -4.400 -14.398 -7.087 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.208 -13.085 -6.903 1.00 0.00 C ATOM 0 H LEU A 38 -4.100 -11.255 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.818 -10.432 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.425 -11.924 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.607 -11.749 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.665 -13.364 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.835 -15.308 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.398 -14.489 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.479 -14.249 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.700 -14.030 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.172 -12.862 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.712 -12.288 -6.349 1.00 0.00 H new ATOM 571 N ASP A 39 -5.558 -9.030 -5.538 1.00 0.00 N ATOM 572 CA ASP A 39 -6.410 -7.818 -5.600 1.00 0.00 C ATOM 573 C ASP A 39 -5.551 -6.559 -5.345 1.00 0.00 C ATOM 574 O ASP A 39 -5.811 -5.478 -5.888 1.00 0.00 O ATOM 575 CB ASP A 39 -7.559 -7.923 -4.558 1.00 0.00 C ATOM 576 CG ASP A 39 -8.511 -6.710 -4.576 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.233 -6.523 -5.580 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.546 -5.933 -3.599 1.00 0.00 O ATOM 0 H ASP A 39 -5.742 -9.620 -4.727 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.853 -7.739 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.133 -8.829 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.129 -8.024 -3.562 1.00 0.00 H new ATOM 583 N PHE A 40 -4.497 -6.751 -4.539 1.00 0.00 N ATOM 584 CA PHE A 40 -3.558 -5.696 -4.134 1.00 0.00 C ATOM 585 C PHE A 40 -2.680 -5.214 -5.318 1.00 0.00 C ATOM 586 O PHE A 40 -2.105 -4.126 -5.249 1.00 0.00 O ATOM 587 CB PHE A 40 -2.682 -6.204 -2.957 1.00 0.00 C ATOM 588 CG PHE A 40 -2.022 -5.088 -2.150 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.730 -4.426 -1.148 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.711 -4.694 -2.394 1.00 0.00 C ATOM 591 CE1 PHE A 40 -2.146 -3.415 -0.421 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.127 -3.678 -1.667 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.847 -3.042 -0.684 1.00 0.00 C ATOM 0 H PHE A 40 -4.269 -7.663 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.136 -4.833 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.300 -6.805 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.907 -6.861 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.751 -4.711 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.141 -5.191 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.706 -2.914 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.892 -3.383 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.391 -2.245 -0.115 1.00 0.00 H new ATOM 603 N LEU A 41 -2.565 -6.047 -6.383 1.00 0.00 N ATOM 604 CA LEU A 41 -1.806 -5.703 -7.622 1.00 0.00 C ATOM 605 C LEU A 41 -2.323 -4.370 -8.220 1.00 0.00 C ATOM 606 O LEU A 41 -1.539 -3.510 -8.647 1.00 0.00 O ATOM 607 CB LEU A 41 -1.954 -6.835 -8.680 1.00 0.00 C ATOM 608 CG LEU A 41 -1.323 -8.219 -8.326 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.727 -9.296 -9.359 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.211 -8.122 -8.197 1.00 0.00 C ATOM 0 H LEU A 41 -2.992 -6.973 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.754 -5.594 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.017 -6.985 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.509 -6.488 -9.613 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.717 -8.521 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.273 -10.249 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.812 -9.401 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.381 -8.999 -10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.618 -9.103 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.635 -7.781 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.466 -7.414 -7.408 1.00 0.00 H new ATOM 622 N ASP A 42 -3.664 -4.233 -8.206 1.00 0.00 N ATOM 623 CA ASP A 42 -4.395 -3.053 -8.716 1.00 0.00 C ATOM 624 C ASP A 42 -4.143 -1.823 -7.847 1.00 0.00 C ATOM 625 O ASP A 42 -4.027 -0.708 -8.362 1.00 0.00 O ATOM 626 CB ASP A 42 -5.912 -3.351 -8.776 1.00 0.00 C ATOM 627 CG ASP A 42 -6.227 -4.470 -9.771 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.100 -5.662 -9.404 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.557 -4.166 -10.942 1.00 0.00 O ATOM 0 H ASP A 42 -4.282 -4.953 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.027 -2.841 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.267 -3.634 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.450 -2.447 -9.062 1.00 0.00 H new ATOM 634 N ILE A 43 -4.074 -2.043 -6.522 1.00 0.00 N ATOM 635 CA ILE A 43 -3.809 -0.972 -5.537 1.00 0.00 C ATOM 636 C ILE A 43 -2.375 -0.444 -5.706 1.00 0.00 C ATOM 637 O ILE A 43 -2.148 0.763 -5.705 1.00 0.00 O ATOM 638 CB ILE A 43 -4.032 -1.488 -4.063 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.514 -1.933 -3.875 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.626 -0.429 -3.002 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.849 -2.474 -2.501 1.00 0.00 C ATOM 0 H ILE A 43 -4.199 -2.964 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.512 -0.159 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.381 -2.348 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.163 -1.082 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.745 -2.698 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.798 -0.830 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.570 -0.184 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.225 0.471 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.901 -2.757 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.232 -3.348 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.656 -1.707 -1.751 1.00 0.00 H new ATOM 653 N ALA A 44 -1.440 -1.384 -5.907 1.00 0.00 N ATOM 654 CA ALA A 44 -0.004 -1.091 -6.099 1.00 0.00 C ATOM 655 C ALA A 44 0.225 -0.256 -7.368 1.00 0.00 C ATOM 656 O ALA A 44 1.072 0.639 -7.387 1.00 0.00 O ATOM 657 CB ALA A 44 0.784 -2.404 -6.178 1.00 0.00 C ATOM 0 H ALA A 44 -1.657 -2.380 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 44 0.348 -0.509 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.842 -2.185 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.650 -2.965 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.421 -2.997 -7.018 1.00 0.00 H new ATOM 663 N PHE A 45 -0.575 -0.562 -8.405 1.00 0.00 N ATOM 664 CA PHE A 45 -0.526 0.141 -9.699 1.00 0.00 C ATOM 665 C PHE A 45 -1.179 1.534 -9.600 1.00 0.00 C ATOM 666 O PHE A 45 -0.693 2.494 -10.195 1.00 0.00 O ATOM 667 CB PHE A 45 -1.202 -0.712 -10.807 1.00 0.00 C ATOM 668 CG PHE A 45 -1.085 -0.136 -12.224 1.00 0.00 C ATOM 669 CD1 PHE A 45 0.154 0.259 -12.734 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.207 0.004 -13.042 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.265 0.769 -14.013 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.094 0.510 -14.324 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.858 0.895 -14.810 1.00 0.00 C ATOM 0 H PHE A 45 -1.274 -1.304 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 45 0.521 0.285 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.762 -1.709 -10.798 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.258 -0.828 -10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.037 0.164 -12.120 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.178 -0.287 -12.668 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.231 1.070 -14.391 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.972 0.605 -14.946 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.770 1.293 -15.810 1.00 0.00 H new ATOM 683 N ALA A 46 -2.272 1.631 -8.831 1.00 0.00 N ATOM 684 CA ALA A 46 -3.012 2.899 -8.652 1.00 0.00 C ATOM 685 C ALA A 46 -2.193 3.904 -7.805 1.00 0.00 C ATOM 686 O ALA A 46 -2.263 5.108 -8.026 1.00 0.00 O ATOM 687 CB ALA A 46 -4.381 2.623 -8.015 1.00 0.00 C ATOM 0 H ALA A 46 -2.669 0.844 -8.318 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.172 3.351 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.919 3.562 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.956 1.961 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.241 2.150 -7.043 1.00 0.00 H new ATOM 693 N ILE A 47 -1.415 3.378 -6.838 1.00 0.00 N ATOM 694 CA ILE A 47 -0.477 4.175 -6.005 1.00 0.00 C ATOM 695 C ILE A 47 0.745 4.605 -6.846 1.00 0.00 C ATOM 696 O ILE A 47 1.229 5.743 -6.734 1.00 0.00 O ATOM 697 CB ILE A 47 -0.012 3.343 -4.746 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.219 3.058 -3.802 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.140 4.033 -3.976 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.958 2.058 -2.690 1.00 0.00 C ATOM 0 H ILE A 47 -1.416 2.384 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.994 5.068 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 47 0.378 2.394 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.537 3.999 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.051 2.695 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.423 3.421 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.999 4.152 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.810 5.012 -3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.862 1.933 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.674 1.099 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.151 2.423 -2.055 1.00 0.00 H new ATOM 712 N ASP A 48 1.205 3.672 -7.696 1.00 0.00 N ATOM 713 CA ASP A 48 2.321 3.882 -8.648 1.00 0.00 C ATOM 714 C ASP A 48 2.047 5.126 -9.530 1.00 0.00 C ATOM 715 O ASP A 48 2.900 6.010 -9.674 1.00 0.00 O ATOM 716 CB ASP A 48 2.477 2.588 -9.500 1.00 0.00 C ATOM 717 CG ASP A 48 3.642 2.593 -10.504 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.446 3.025 -11.663 1.00 0.00 O ATOM 719 OD2 ASP A 48 4.749 2.135 -10.146 1.00 0.00 O ATOM 0 H ASP A 48 0.809 2.733 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 48 3.253 4.073 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.606 1.742 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.549 2.420 -10.047 1.00 0.00 H new ATOM 724 N LYS A 49 0.804 5.215 -10.021 1.00 0.00 N ATOM 725 CA LYS A 49 0.336 6.302 -10.902 1.00 0.00 C ATOM 726 C LYS A 49 0.054 7.593 -10.102 1.00 0.00 C ATOM 727 O LYS A 49 0.471 8.681 -10.509 1.00 0.00 O ATOM 728 CB LYS A 49 -0.952 5.838 -11.628 1.00 0.00 C ATOM 729 CG LYS A 49 -0.773 4.600 -12.533 1.00 0.00 C ATOM 730 CD LYS A 49 -2.116 3.974 -12.966 1.00 0.00 C ATOM 731 CE LYS A 49 -3.020 4.931 -13.765 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.287 4.268 -14.176 1.00 0.00 N ATOM 0 H LYS A 49 0.081 4.525 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 49 1.118 6.527 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.714 5.618 -10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.328 6.662 -12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.207 4.884 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.183 3.852 -12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.915 3.089 -13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.653 3.639 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.247 5.809 -13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.488 5.282 -14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.872 4.940 -14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.070 3.445 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.805 3.955 -13.330 1.00 0.00 H new ATOM 746 N ALA A 50 -0.633 7.440 -8.948 1.00 0.00 N ATOM 747 CA ALA A 50 -1.141 8.580 -8.140 1.00 0.00 C ATOM 748 C ALA A 50 -0.002 9.451 -7.601 1.00 0.00 C ATOM 749 O ALA A 50 0.024 10.667 -7.808 1.00 0.00 O ATOM 750 CB ALA A 50 -2.008 8.076 -6.971 1.00 0.00 C ATOM 0 H ALA A 50 -0.852 6.527 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.751 9.194 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.369 8.927 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.857 7.516 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.412 7.428 -6.329 1.00 0.00 H new ATOM 756 N PHE A 51 0.936 8.796 -6.915 1.00 0.00 N ATOM 757 CA PHE A 51 2.082 9.461 -6.269 1.00 0.00 C ATOM 758 C PHE A 51 3.206 9.741 -7.284 1.00 0.00 C ATOM 759 O PHE A 51 4.138 10.491 -6.979 1.00 0.00 O ATOM 760 CB PHE A 51 2.607 8.588 -5.099 1.00 0.00 C ATOM 761 CG PHE A 51 1.604 8.395 -3.955 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.527 7.519 -4.080 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.743 9.087 -2.750 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.372 7.338 -3.049 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.841 8.907 -1.721 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.213 8.032 -1.872 1.00 0.00 C ATOM 0 H PHE A 51 0.927 7.784 -6.788 1.00 0.00 H new ATOM 0 HA PHE A 51 1.747 10.420 -5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.888 7.610 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.513 9.044 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.394 6.972 -5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.568 9.772 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.199 6.653 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.961 9.452 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.916 7.891 -1.064 1.00 0.00 H new ATOM 776 N GLY A 52 3.106 9.128 -8.484 1.00 0.00 N ATOM 777 CA GLY A 52 4.103 9.302 -9.546 1.00 0.00 C ATOM 778 C GLY A 52 5.430 8.652 -9.192 1.00 0.00 C ATOM 779 O GLY A 52 6.502 9.200 -9.464 1.00 0.00 O ATOM 0 H GLY A 52 2.338 8.506 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.724 8.872 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.257 10.366 -9.728 1.00 0.00 H new ATOM 783 N ILE A 53 5.332 7.467 -8.569 1.00 0.00 N ATOM 784 CA ILE A 53 6.484 6.686 -8.075 1.00 0.00 C ATOM 785 C ILE A 53 6.523 5.314 -8.760 1.00 0.00 C ATOM 786 O ILE A 53 5.621 4.978 -9.529 1.00 0.00 O ATOM 787 CB ILE A 53 6.413 6.491 -6.513 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.075 5.783 -6.105 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.596 7.840 -5.785 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.903 5.527 -4.618 1.00 0.00 C ATOM 0 H ILE A 53 4.436 7.014 -8.390 1.00 0.00 H new ATOM 0 HA ILE A 53 7.391 7.241 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 53 7.233 5.842 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.240 6.393 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.013 4.830 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.544 7.682 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.567 8.264 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.807 8.528 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.947 5.034 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.711 4.888 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.927 6.475 -4.080 1.00 0.00 H new ATOM 802 N LYS A 54 7.591 4.542 -8.500 1.00 0.00 N ATOM 803 CA LYS A 54 7.655 3.128 -8.879 1.00 0.00 C ATOM 804 C LYS A 54 7.509 2.275 -7.617 1.00 0.00 C ATOM 805 O LYS A 54 8.439 2.196 -6.804 1.00 0.00 O ATOM 806 CB LYS A 54 8.968 2.796 -9.638 1.00 0.00 C ATOM 807 CG LYS A 54 9.024 1.348 -10.182 1.00 0.00 C ATOM 808 CD LYS A 54 10.285 1.018 -11.029 1.00 0.00 C ATOM 809 CE LYS A 54 10.333 1.724 -12.406 1.00 0.00 C ATOM 810 NZ LYS A 54 10.683 3.166 -12.326 1.00 0.00 N ATOM 0 H LYS A 54 8.427 4.881 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 54 6.839 2.904 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.082 3.492 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.814 2.956 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.978 0.657 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.138 1.169 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.173 1.296 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.331 -0.060 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.061 1.217 -13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.362 1.621 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.819 3.738 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.139 3.362 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.337 3.408 -13.098 1.00 0.00 H new ATOM 824 N LEU A 55 6.304 1.715 -7.424 1.00 0.00 N ATOM 825 CA LEU A 55 6.018 0.800 -6.315 1.00 0.00 C ATOM 826 C LEU A 55 6.356 -0.632 -6.784 1.00 0.00 C ATOM 827 O LEU A 55 5.640 -1.172 -7.637 1.00 0.00 O ATOM 828 CB LEU A 55 4.522 0.954 -5.856 1.00 0.00 C ATOM 829 CG LEU A 55 4.111 0.256 -4.500 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.804 0.848 -3.940 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.985 -1.287 -4.614 1.00 0.00 C ATOM 0 H LEU A 55 5.504 1.886 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 55 6.628 1.033 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.302 2.018 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.883 0.560 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 55 4.927 0.460 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.548 0.347 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.937 1.914 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.000 0.703 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.700 -1.701 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.224 -1.536 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.942 -1.708 -4.922 1.00 0.00 H new ATOM 843 N PRO A 56 7.453 -1.274 -6.254 1.00 0.00 N ATOM 844 CA PRO A 56 7.802 -2.649 -6.633 1.00 0.00 C ATOM 845 C PRO A 56 7.106 -3.687 -5.730 1.00 0.00 C ATOM 846 O PRO A 56 7.697 -4.213 -4.777 1.00 0.00 O ATOM 847 CB PRO A 56 9.340 -2.641 -6.474 1.00 0.00 C ATOM 848 CG PRO A 56 9.594 -1.710 -5.312 1.00 0.00 C ATOM 849 CD PRO A 56 8.431 -0.721 -5.275 1.00 0.00 C ATOM 0 HA PRO A 56 7.479 -2.933 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.724 -3.641 -6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.831 -2.288 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.657 -2.267 -4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.542 -1.187 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.999 -0.650 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.752 0.282 -5.555 1.00 0.00 H new ATOM 857 N LEU A 57 5.842 -4.001 -6.068 1.00 0.00 N ATOM 858 CA LEU A 57 5.063 -5.025 -5.347 1.00 0.00 C ATOM 859 C LEU A 57 5.606 -6.416 -5.699 1.00 0.00 C ATOM 860 O LEU A 57 5.488 -7.347 -4.914 1.00 0.00 O ATOM 861 CB LEU A 57 3.541 -4.945 -5.657 1.00 0.00 C ATOM 862 CG LEU A 57 2.648 -5.928 -4.826 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.748 -5.651 -3.305 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.188 -5.915 -5.301 1.00 0.00 C ATOM 0 H LEU A 57 5.338 -3.560 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 57 5.175 -4.838 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.201 -3.926 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.389 -5.147 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 57 3.037 -6.931 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.114 -6.354 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.782 -5.771 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.419 -4.633 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.603 -6.610 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.780 -4.910 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.143 -6.216 -6.348 1.00 0.00 H new ATOM 876 N GLU A 58 6.234 -6.526 -6.889 1.00 0.00 N ATOM 877 CA GLU A 58 6.944 -7.741 -7.333 1.00 0.00 C ATOM 878 C GLU A 58 8.014 -8.157 -6.310 1.00 0.00 C ATOM 879 O GLU A 58 8.235 -9.349 -6.074 1.00 0.00 O ATOM 880 CB GLU A 58 7.588 -7.507 -8.720 1.00 0.00 C ATOM 881 CG GLU A 58 8.556 -6.307 -8.787 1.00 0.00 C ATOM 882 CD GLU A 58 9.260 -6.177 -10.145 1.00 0.00 C ATOM 883 OE1 GLU A 58 8.651 -5.642 -11.099 1.00 0.00 O ATOM 884 OE2 GLU A 58 10.423 -6.627 -10.280 1.00 0.00 O ATOM 0 H GLU A 58 6.262 -5.769 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 58 6.219 -8.551 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.127 -8.408 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.795 -7.358 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.004 -5.390 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.307 -6.409 -8.003 1.00 0.00 H new ATOM 891 N LYS A 59 8.658 -7.152 -5.704 1.00 0.00 N ATOM 892 CA LYS A 59 9.685 -7.353 -4.684 1.00 0.00 C ATOM 893 C LYS A 59 9.029 -7.665 -3.332 1.00 0.00 C ATOM 894 O LYS A 59 9.401 -8.630 -2.681 1.00 0.00 O ATOM 895 CB LYS A 59 10.571 -6.088 -4.576 1.00 0.00 C ATOM 896 CG LYS A 59 11.790 -6.230 -3.641 1.00 0.00 C ATOM 897 CD LYS A 59 12.638 -4.939 -3.584 1.00 0.00 C ATOM 898 CE LYS A 59 11.890 -3.764 -2.939 1.00 0.00 C ATOM 899 NZ LYS A 59 11.551 -4.045 -1.526 1.00 0.00 N ATOM 0 H LYS A 59 8.477 -6.170 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 59 10.312 -8.198 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.924 -5.823 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.956 -5.260 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.448 -6.482 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.413 -7.057 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.552 -5.134 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.938 -4.662 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.505 -2.866 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.977 -3.561 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.062 -3.224 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.930 -4.878 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.423 -4.231 -0.990 1.00 0.00 H new ATOM 913 N TRP A 60 8.019 -6.853 -2.965 1.00 0.00 N ATOM 914 CA TRP A 60 7.347 -6.912 -1.640 1.00 0.00 C ATOM 915 C TRP A 60 6.681 -8.283 -1.408 1.00 0.00 C ATOM 916 O TRP A 60 6.902 -8.927 -0.377 1.00 0.00 O ATOM 917 CB TRP A 60 6.301 -5.772 -1.526 1.00 0.00 C ATOM 918 CG TRP A 60 6.873 -4.365 -1.547 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.175 -3.990 -1.716 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.138 -3.148 -1.370 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.280 -2.624 -1.685 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.049 -2.085 -1.463 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.789 -2.859 -1.154 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.668 -0.756 -1.341 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.410 -1.539 -1.019 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.345 -0.498 -1.121 1.00 0.00 C ATOM 0 H TRP A 60 7.640 -6.132 -3.578 1.00 0.00 H new ATOM 0 HA TRP A 60 8.104 -6.779 -0.868 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.590 -5.870 -2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.741 -5.906 -0.600 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.002 -4.671 -1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.143 -2.095 -1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.058 -3.652 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.390 0.044 -1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.373 -1.303 -0.831 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.013 0.525 -1.024 1.00 0.00 H new ATOM 937 N THR A 61 5.875 -8.701 -2.397 1.00 0.00 N ATOM 938 CA THR A 61 5.242 -10.030 -2.459 1.00 0.00 C ATOM 939 C THR A 61 6.283 -11.165 -2.356 1.00 0.00 C ATOM 940 O THR A 61 6.091 -12.114 -1.595 1.00 0.00 O ATOM 941 CB THR A 61 4.421 -10.168 -3.790 1.00 0.00 C ATOM 942 OG1 THR A 61 3.426 -9.131 -3.832 1.00 0.00 O ATOM 943 CG2 THR A 61 3.730 -11.541 -3.941 1.00 0.00 C ATOM 0 H THR A 61 5.639 -8.111 -3.195 1.00 0.00 H new ATOM 0 HA THR A 61 4.571 -10.121 -1.605 1.00 0.00 H new ATOM 0 HB THR A 61 5.127 -10.077 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.909 -9.207 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.180 -11.570 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.483 -12.330 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.039 -11.694 -3.112 1.00 0.00 H new ATOM 951 N GLN A 62 7.397 -11.020 -3.103 1.00 0.00 N ATOM 952 CA GLN A 62 8.490 -12.015 -3.134 1.00 0.00 C ATOM 953 C GLN A 62 9.149 -12.152 -1.748 1.00 0.00 C ATOM 954 O GLN A 62 9.441 -13.264 -1.314 1.00 0.00 O ATOM 955 CB GLN A 62 9.560 -11.635 -4.206 1.00 0.00 C ATOM 956 CG GLN A 62 10.705 -12.663 -4.356 1.00 0.00 C ATOM 957 CD GLN A 62 10.248 -14.060 -4.815 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.829 -15.077 -4.425 1.00 0.00 O ATOM 959 NE2 GLN A 62 9.227 -14.126 -5.665 1.00 0.00 N ATOM 0 H GLN A 62 7.564 -10.211 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 62 8.056 -12.977 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.065 -11.517 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.989 -10.667 -3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.431 -12.278 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.219 -12.758 -3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.763 -13.271 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.908 -15.032 -6.009 1.00 0.00 H new ATOM 968 N GLU A 63 9.332 -11.011 -1.058 1.00 0.00 N ATOM 969 CA GLU A 63 9.956 -10.956 0.284 1.00 0.00 C ATOM 970 C GLU A 63 9.112 -11.724 1.311 1.00 0.00 C ATOM 971 O GLU A 63 9.652 -12.441 2.157 1.00 0.00 O ATOM 972 CB GLU A 63 10.161 -9.480 0.726 1.00 0.00 C ATOM 973 CG GLU A 63 11.196 -8.716 -0.108 1.00 0.00 C ATOM 974 CD GLU A 63 11.261 -7.228 0.249 1.00 0.00 C ATOM 975 OE1 GLU A 63 10.492 -6.425 -0.332 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.053 -6.851 1.136 1.00 0.00 O ATOM 0 H GLU A 63 9.052 -10.097 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 63 10.933 -11.436 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.206 -8.958 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.469 -9.464 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.178 -9.164 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.954 -8.821 -1.166 1.00 0.00 H new ATOM 983 N VAL A 64 7.785 -11.611 1.192 1.00 0.00 N ATOM 984 CA VAL A 64 6.833 -12.288 2.083 1.00 0.00 C ATOM 985 C VAL A 64 6.794 -13.804 1.786 1.00 0.00 C ATOM 986 O VAL A 64 6.866 -14.632 2.707 1.00 0.00 O ATOM 987 CB VAL A 64 5.401 -11.658 1.929 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.339 -12.441 2.747 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.424 -10.150 2.315 1.00 0.00 C ATOM 0 H VAL A 64 7.337 -11.045 0.471 1.00 0.00 H new ATOM 0 HA VAL A 64 7.164 -12.151 3.112 1.00 0.00 H new ATOM 0 HB VAL A 64 5.111 -11.734 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.362 -11.975 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.299 -13.473 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.609 -12.425 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.424 -9.730 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.747 -10.044 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.116 -9.618 1.663 1.00 0.00 H new ATOM 999 N ASN A 65 6.693 -14.141 0.488 1.00 0.00 N ATOM 1000 CA ASN A 65 6.623 -15.543 0.003 1.00 0.00 C ATOM 1001 C ASN A 65 7.966 -16.288 0.143 1.00 0.00 C ATOM 1002 O ASN A 65 8.004 -17.523 0.065 1.00 0.00 O ATOM 1003 CB ASN A 65 6.129 -15.587 -1.479 1.00 0.00 C ATOM 1004 CG ASN A 65 4.727 -14.988 -1.685 1.00 0.00 C ATOM 1005 OD1 ASN A 65 3.916 -14.911 -0.762 1.00 0.00 O ATOM 1006 ND2 ASN A 65 4.416 -14.600 -2.912 1.00 0.00 N ATOM 0 H ASN A 65 6.657 -13.451 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 65 5.904 -16.060 0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.840 -15.048 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.125 -16.622 -1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.487 -14.227 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.105 -14.674 -3.660 1.00 0.00 H new ATOM 1013 N ASP A 66 9.064 -15.539 0.341 1.00 0.00 N ATOM 1014 CA ASP A 66 10.403 -16.114 0.604 1.00 0.00 C ATOM 1015 C ASP A 66 10.652 -16.220 2.132 1.00 0.00 C ATOM 1016 O ASP A 66 11.633 -16.833 2.571 1.00 0.00 O ATOM 1017 CB ASP A 66 11.499 -15.253 -0.092 1.00 0.00 C ATOM 1018 CG ASP A 66 12.870 -15.951 -0.169 1.00 0.00 C ATOM 1019 OD1 ASP A 66 13.063 -16.794 -1.072 1.00 0.00 O ATOM 1020 OD2 ASP A 66 13.759 -15.665 0.659 1.00 0.00 O ATOM 0 H ASP A 66 9.053 -14.519 0.324 1.00 0.00 H new ATOM 0 HA ASP A 66 10.449 -17.121 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.169 -15.005 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.609 -14.312 0.448 1.00 0.00 H new ATOM 1025 N GLY A 67 9.734 -15.635 2.931 1.00 0.00 N ATOM 1026 CA GLY A 67 9.813 -15.672 4.399 1.00 0.00 C ATOM 1027 C GLY A 67 10.796 -14.674 4.999 1.00 0.00 C ATOM 1028 O GLY A 67 11.175 -14.797 6.169 1.00 0.00 O ATOM 0 H GLY A 67 8.924 -15.128 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.822 -15.480 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.098 -16.677 4.711 1.00 0.00 H new ATOM 1032 N LYS A 68 11.212 -13.684 4.196 1.00 0.00 N ATOM 1033 CA LYS A 68 12.129 -12.617 4.640 1.00 0.00 C ATOM 1034 C LYS A 68 11.349 -11.546 5.415 1.00 0.00 C ATOM 1035 O LYS A 68 11.676 -11.223 6.566 1.00 0.00 O ATOM 1036 CB LYS A 68 12.850 -11.984 3.420 1.00 0.00 C ATOM 1037 CG LYS A 68 13.812 -12.933 2.681 1.00 0.00 C ATOM 1038 CD LYS A 68 14.942 -13.452 3.598 1.00 0.00 C ATOM 1039 CE LYS A 68 15.992 -14.281 2.842 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.014 -14.839 3.761 1.00 0.00 N ATOM 0 H LYS A 68 10.924 -13.598 3.221 1.00 0.00 H new ATOM 0 HA LYS A 68 12.882 -13.050 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.099 -11.628 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.409 -11.111 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.251 -13.779 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.249 -12.413 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.432 -12.605 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.508 -14.061 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.499 -15.094 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.478 -13.657 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.706 -15.392 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.501 -14.062 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.553 -15.455 4.461 1.00 0.00 H new ATOM 1054 N ALA A 69 10.318 -11.018 4.754 1.00 0.00 N ATOM 1055 CA ALA A 69 9.431 -9.978 5.300 1.00 0.00 C ATOM 1056 C ALA A 69 8.072 -10.568 5.689 1.00 0.00 C ATOM 1057 O ALA A 69 7.715 -11.679 5.269 1.00 0.00 O ATOM 1058 CB ALA A 69 9.249 -8.850 4.271 1.00 0.00 C ATOM 0 H ALA A 69 10.068 -11.303 3.807 1.00 0.00 H new ATOM 0 HA ALA A 69 9.892 -9.568 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.591 -8.084 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.219 -8.409 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.808 -9.256 3.361 1.00 0.00 H new ATOM 1064 N THR A 70 7.328 -9.803 6.495 1.00 0.00 N ATOM 1065 CA THR A 70 5.952 -10.134 6.885 1.00 0.00 C ATOM 1066 C THR A 70 4.961 -9.335 6.014 1.00 0.00 C ATOM 1067 O THR A 70 5.319 -8.285 5.443 1.00 0.00 O ATOM 1068 CB THR A 70 5.693 -9.845 8.412 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.324 -10.133 8.752 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.029 -8.391 8.800 1.00 0.00 C ATOM 0 H THR A 70 7.666 -8.929 6.899 1.00 0.00 H new ATOM 0 HA THR A 70 5.802 -11.202 6.725 1.00 0.00 H new ATOM 0 HB THR A 70 6.358 -10.500 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.178 -9.951 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.833 -8.243 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.081 -8.193 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.411 -7.707 8.219 1.00 0.00 H new ATOM 1078 N THR A 71 3.722 -9.854 5.915 1.00 0.00 N ATOM 1079 CA THR A 71 2.602 -9.180 5.227 1.00 0.00 C ATOM 1080 C THR A 71 2.281 -7.836 5.912 1.00 0.00 C ATOM 1081 O THR A 71 1.902 -6.869 5.252 1.00 0.00 O ATOM 1082 CB THR A 71 1.314 -10.071 5.228 1.00 0.00 C ATOM 1083 OG1 THR A 71 0.997 -10.447 6.581 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.453 -11.334 4.366 1.00 0.00 C ATOM 0 H THR A 71 3.468 -10.758 6.312 1.00 0.00 H new ATOM 0 HA THR A 71 2.910 -9.006 4.196 1.00 0.00 H new ATOM 0 HB THR A 71 0.513 -9.475 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.190 -11.003 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.527 -11.908 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.656 -11.049 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.275 -11.943 4.743 1.00 0.00 H new ATOM 1092 N GLU A 72 2.451 -7.805 7.249 1.00 0.00 N ATOM 1093 CA GLU A 72 2.225 -6.608 8.084 1.00 0.00 C ATOM 1094 C GLU A 72 2.951 -5.366 7.510 1.00 0.00 C ATOM 1095 O GLU A 72 2.349 -4.298 7.357 1.00 0.00 O ATOM 1096 CB GLU A 72 2.705 -6.901 9.534 1.00 0.00 C ATOM 1097 CG GLU A 72 2.555 -5.736 10.532 1.00 0.00 C ATOM 1098 CD GLU A 72 3.111 -6.064 11.927 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.332 -5.918 12.137 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.335 -6.457 12.822 1.00 0.00 O ATOM 0 H GLU A 72 2.752 -8.619 7.785 1.00 0.00 H new ATOM 0 HA GLU A 72 1.159 -6.382 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.149 -7.757 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.755 -7.193 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.070 -4.860 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.501 -5.474 10.620 1.00 0.00 H new ATOM 1107 N GLN A 73 4.224 -5.562 7.134 1.00 0.00 N ATOM 1108 CA GLN A 73 5.114 -4.481 6.651 1.00 0.00 C ATOM 1109 C GLN A 73 4.604 -3.810 5.348 1.00 0.00 C ATOM 1110 O GLN A 73 4.860 -2.622 5.120 1.00 0.00 O ATOM 1111 CB GLN A 73 6.546 -5.053 6.441 1.00 0.00 C ATOM 1112 CG GLN A 73 7.632 -3.997 6.104 1.00 0.00 C ATOM 1113 CD GLN A 73 9.042 -4.565 5.903 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.148 -5.751 5.326 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 10.034 -3.923 6.238 1.00 0.00 N flip ATOM 0 H GLN A 73 4.673 -6.478 7.154 1.00 0.00 H new ATOM 0 HA GLN A 73 5.125 -3.701 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.845 -5.584 7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.513 -5.788 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.336 -3.469 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.664 -3.260 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.925 -3.011 6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.966 -4.302 6.073 1.00 0.00 H new ATOM 1124 N TYR A 74 3.864 -4.565 4.511 1.00 0.00 N ATOM 1125 CA TYR A 74 3.495 -4.123 3.140 1.00 0.00 C ATOM 1126 C TYR A 74 1.975 -4.063 2.908 1.00 0.00 C ATOM 1127 O TYR A 74 1.545 -3.710 1.806 1.00 0.00 O ATOM 1128 CB TYR A 74 4.143 -5.070 2.093 1.00 0.00 C ATOM 1129 CG TYR A 74 5.671 -5.101 2.157 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.400 -3.914 2.155 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.384 -6.300 2.215 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.769 -3.919 2.213 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.762 -6.305 2.267 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.447 -5.110 2.267 1.00 0.00 C ATOM 1135 OH TYR A 74 9.819 -5.099 2.339 1.00 0.00 O ATOM 0 H TYR A 74 3.506 -5.488 4.757 1.00 0.00 H new ATOM 0 HA TYR A 74 3.873 -3.107 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.761 -6.080 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.836 -4.758 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.876 -2.971 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.848 -7.238 2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.313 -2.986 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.301 -7.240 2.307 1.00 0.00 H new ATOM 0 HH TYR A 74 10.100 -5.305 3.255 1.00 0.00 H new ATOM 1145 N PHE A 75 1.154 -4.399 3.921 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.315 -4.503 3.754 1.00 0.00 C ATOM 1147 C PHE A 75 -1.065 -3.748 4.875 1.00 0.00 C ATOM 1148 O PHE A 75 -2.172 -3.260 4.631 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.753 -5.997 3.682 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.305 -6.750 2.413 1.00 0.00 C ATOM 1151 CD1 PHE A 75 0.919 -7.419 2.350 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -1.118 -6.787 1.279 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.316 -8.092 1.204 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.719 -7.464 0.135 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.492 -8.112 0.098 1.00 0.00 C ATOM 0 H PHE A 75 1.480 -4.604 4.866 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.583 -4.027 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.357 -6.518 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.840 -6.044 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.570 -7.412 3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.072 -6.281 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.269 -8.600 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.364 -7.482 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.798 -8.636 -0.795 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.499 -3.670 6.110 1.00 0.00 N ATOM 1166 CA VAL A 76 -1.051 -2.767 7.160 1.00 0.00 C ATOM 1167 C VAL A 76 -0.879 -1.325 6.685 1.00 0.00 C ATOM 1168 O VAL A 76 0.231 -0.920 6.400 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.364 -2.937 8.567 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.920 -1.938 9.607 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.503 -4.374 9.084 1.00 0.00 C ATOM 0 H VAL A 76 0.319 -4.207 6.399 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.100 -3.030 7.299 1.00 0.00 H new ATOM 0 HB VAL A 76 0.695 -2.719 8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.418 -2.091 10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.743 -0.919 9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.991 -2.099 9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.019 -4.459 10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.559 -4.625 9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.030 -5.061 8.382 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.976 -0.573 6.651 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.063 0.679 5.876 1.00 0.00 C ATOM 1183 C LEU A 77 -1.049 1.752 6.337 1.00 0.00 C ATOM 1184 O LEU A 77 -0.583 2.531 5.517 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.508 1.224 5.897 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.630 0.208 5.499 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.969 0.912 5.259 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.224 -0.667 4.290 1.00 0.00 C ATOM 0 H LEU A 77 -2.831 -0.806 7.155 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.792 0.436 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.721 1.595 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.563 2.078 5.222 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.760 -0.465 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.724 0.175 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.278 1.426 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.860 1.637 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.034 -1.356 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.025 -0.029 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.326 -1.234 4.536 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.741 1.788 7.650 1.00 0.00 N ATOM 1201 CA LYS A 78 0.302 2.695 8.202 1.00 0.00 C ATOM 1202 C LYS A 78 1.713 2.325 7.685 1.00 0.00 C ATOM 1203 O LYS A 78 2.503 3.207 7.326 1.00 0.00 O ATOM 1204 CB LYS A 78 0.278 2.693 9.761 1.00 0.00 C ATOM 1205 CG LYS A 78 0.649 1.348 10.429 1.00 0.00 C ATOM 1206 CD LYS A 78 0.427 1.346 11.955 1.00 0.00 C ATOM 1207 CE LYS A 78 0.844 0.015 12.611 1.00 0.00 C ATOM 1208 NZ LYS A 78 2.315 -0.231 12.517 1.00 0.00 N ATOM 0 H LYS A 78 -1.195 1.203 8.351 1.00 0.00 H new ATOM 0 HA LYS A 78 0.070 3.701 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.966 3.459 10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.720 2.981 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.055 0.551 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.695 1.122 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.995 2.161 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.625 1.537 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.546 0.021 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.310 -0.806 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.550 -1.121 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.593 -0.298 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.828 0.554 12.967 1.00 0.00 H new ATOM 1222 N ASN A 79 1.998 1.006 7.638 1.00 0.00 N ATOM 1223 CA ASN A 79 3.314 0.448 7.251 1.00 0.00 C ATOM 1224 C ASN A 79 3.504 0.561 5.736 1.00 0.00 C ATOM 1225 O ASN A 79 4.560 0.965 5.253 1.00 0.00 O ATOM 1226 CB ASN A 79 3.413 -1.042 7.698 1.00 0.00 C ATOM 1227 CG ASN A 79 3.323 -1.238 9.212 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.717 -0.369 9.992 1.00 0.00 O ATOM 1229 ND2 ASN A 79 2.809 -2.383 9.646 1.00 0.00 N ATOM 0 H ASN A 79 1.312 0.288 7.871 1.00 0.00 H new ATOM 0 HA ASN A 79 4.101 1.016 7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.615 -1.609 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.356 -1.457 7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.733 -2.561 10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.491 -3.085 8.978 1.00 0.00 H new ATOM 1236 N LEU A 80 2.450 0.171 5.015 1.00 0.00 N ATOM 1237 CA LEU A 80 2.302 0.345 3.566 1.00 0.00 C ATOM 1238 C LEU A 80 2.543 1.819 3.163 1.00 0.00 C ATOM 1239 O LEU A 80 3.358 2.096 2.287 1.00 0.00 O ATOM 1240 CB LEU A 80 0.871 -0.113 3.163 1.00 0.00 C ATOM 1241 CG LEU A 80 0.432 0.153 1.688 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.348 -0.566 0.673 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.059 -0.211 1.481 1.00 0.00 C ATOM 0 H LEU A 80 1.646 -0.292 5.439 1.00 0.00 H new ATOM 0 HA LEU A 80 3.044 -0.259 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.792 -1.183 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.158 0.381 3.823 1.00 0.00 H new ATOM 0 HG LEU A 80 0.541 1.221 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.006 -0.353 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.372 -0.212 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.313 -1.641 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.341 -0.017 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.211 -1.267 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.677 0.394 2.145 1.00 0.00 H new ATOM 1255 N ALA A 81 1.871 2.745 3.867 1.00 0.00 N ATOM 1256 CA ALA A 81 1.953 4.199 3.595 1.00 0.00 C ATOM 1257 C ALA A 81 3.335 4.757 3.958 1.00 0.00 C ATOM 1258 O ALA A 81 3.749 5.772 3.415 1.00 0.00 O ATOM 1259 CB ALA A 81 0.863 4.955 4.361 1.00 0.00 C ATOM 0 H ALA A 81 1.253 2.511 4.644 1.00 0.00 H new ATOM 0 HA ALA A 81 1.797 4.343 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.941 6.021 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.117 4.593 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.989 4.789 5.431 1.00 0.00 H new ATOM 1265 N ALA A 82 4.012 4.090 4.909 1.00 0.00 N ATOM 1266 CA ALA A 82 5.393 4.430 5.298 1.00 0.00 C ATOM 1267 C ALA A 82 6.382 4.008 4.186 1.00 0.00 C ATOM 1268 O ALA A 82 7.317 4.753 3.869 1.00 0.00 O ATOM 1269 CB ALA A 82 5.762 3.778 6.644 1.00 0.00 C ATOM 0 H ALA A 82 3.620 3.304 5.428 1.00 0.00 H new ATOM 0 HA ALA A 82 5.460 5.510 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.785 4.044 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.083 4.133 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.679 2.695 6.558 1.00 0.00 H new ATOM 1275 N ARG A 83 6.156 2.806 3.600 1.00 0.00 N ATOM 1276 CA ARG A 83 6.942 2.292 2.446 1.00 0.00 C ATOM 1277 C ARG A 83 6.823 3.242 1.237 1.00 0.00 C ATOM 1278 O ARG A 83 7.803 3.532 0.547 1.00 0.00 O ATOM 1279 CB ARG A 83 6.447 0.875 2.021 1.00 0.00 C ATOM 1280 CG ARG A 83 6.594 -0.253 3.067 1.00 0.00 C ATOM 1281 CD ARG A 83 8.036 -0.415 3.576 1.00 0.00 C ATOM 1282 NE ARG A 83 9.015 -0.520 2.469 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.158 0.190 2.382 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.495 1.061 3.330 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.944 0.040 1.334 1.00 0.00 N ATOM 0 H ARG A 83 5.426 2.166 3.912 1.00 0.00 H new ATOM 0 HA ARG A 83 7.983 2.232 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.395 0.950 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.990 0.580 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.937 -0.046 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.261 -1.194 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.294 0.436 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.100 -1.306 4.201 1.00 0.00 H new ATOM 0 HE ARG A 83 8.809 -1.178 1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.885 1.199 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.363 1.591 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.687 -0.611 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.809 0.575 1.265 1.00 0.00 H new ATOM 1299 N ILE A 84 5.594 3.700 1.003 1.00 0.00 N ATOM 1300 CA ILE A 84 5.249 4.624 -0.090 1.00 0.00 C ATOM 1301 C ILE A 84 5.819 6.028 0.187 1.00 0.00 C ATOM 1302 O ILE A 84 6.302 6.698 -0.724 1.00 0.00 O ATOM 1303 CB ILE A 84 3.688 4.655 -0.264 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.190 3.231 -0.673 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.208 5.741 -1.265 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.706 3.008 -0.514 1.00 0.00 C ATOM 0 H ILE A 84 4.791 3.438 1.575 1.00 0.00 H new ATOM 0 HA ILE A 84 5.696 4.276 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 84 3.248 4.934 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.460 3.052 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.720 2.490 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.121 5.711 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.520 6.724 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.645 5.551 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.456 1.993 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.427 3.150 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.162 3.720 -1.135 1.00 0.00 H new ATOM 1318 N ASP A 85 5.737 6.453 1.458 1.00 0.00 N ATOM 1319 CA ASP A 85 6.385 7.690 1.951 1.00 0.00 C ATOM 1320 C ASP A 85 7.912 7.678 1.706 1.00 0.00 C ATOM 1321 O ASP A 85 8.510 8.732 1.475 1.00 0.00 O ATOM 1322 CB ASP A 85 6.063 7.902 3.455 1.00 0.00 C ATOM 1323 CG ASP A 85 6.582 9.240 4.020 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.956 10.288 3.757 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.615 9.247 4.722 1.00 0.00 O ATOM 0 H ASP A 85 5.219 5.950 2.179 1.00 0.00 H new ATOM 0 HA ASP A 85 5.979 8.528 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.983 7.853 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.497 7.083 4.029 1.00 0.00 H new ATOM 1330 N GLU A 86 8.520 6.476 1.735 1.00 0.00 N ATOM 1331 CA GLU A 86 9.949 6.311 1.393 1.00 0.00 C ATOM 1332 C GLU A 86 10.165 6.540 -0.120 1.00 0.00 C ATOM 1333 O GLU A 86 11.130 7.188 -0.520 1.00 0.00 O ATOM 1334 CB GLU A 86 10.474 4.903 1.787 1.00 0.00 C ATOM 1335 CG GLU A 86 11.968 4.677 1.465 1.00 0.00 C ATOM 1336 CD GLU A 86 12.450 3.246 1.744 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.800 2.939 2.903 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.469 2.413 0.816 1.00 0.00 O ATOM 0 H GLU A 86 8.048 5.608 1.990 1.00 0.00 H new ATOM 0 HA GLU A 86 10.510 7.053 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.316 4.753 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.883 4.148 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.144 4.912 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.567 5.374 2.052 1.00 0.00 H new ATOM 1345 N LEU A 87 9.260 5.982 -0.940 1.00 0.00 N ATOM 1346 CA LEU A 87 9.329 6.074 -2.416 1.00 0.00 C ATOM 1347 C LEU A 87 9.131 7.532 -2.911 1.00 0.00 C ATOM 1348 O LEU A 87 9.813 7.977 -3.846 1.00 0.00 O ATOM 1349 CB LEU A 87 8.285 5.115 -3.063 1.00 0.00 C ATOM 1350 CG LEU A 87 8.424 3.600 -2.685 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.276 2.751 -3.284 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.816 3.054 -3.087 1.00 0.00 C ATOM 0 H LEU A 87 8.456 5.452 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 87 10.327 5.765 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.287 5.451 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.357 5.208 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 87 8.340 3.520 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.409 1.707 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.320 3.112 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.290 2.835 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.887 2.001 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.951 3.159 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.591 3.616 -2.567 1.00 0.00 H new ATOM 1364 N VAL A 88 8.192 8.270 -2.285 1.00 0.00 N ATOM 1365 CA VAL A 88 7.943 9.695 -2.603 1.00 0.00 C ATOM 1366 C VAL A 88 9.074 10.590 -2.047 1.00 0.00 C ATOM 1367 O VAL A 88 9.371 11.653 -2.605 1.00 0.00 O ATOM 1368 CB VAL A 88 6.527 10.200 -2.099 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.388 9.303 -2.636 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.456 10.322 -0.559 1.00 0.00 C ATOM 0 H VAL A 88 7.588 7.901 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 88 7.935 9.774 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 88 6.392 11.203 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.430 9.675 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.395 9.320 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.535 8.281 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.466 10.671 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.645 9.348 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.207 11.033 -0.215 1.00 0.00 H new ATOM 1380 N ALA A 89 9.690 10.143 -0.938 1.00 0.00 N ATOM 1381 CA ALA A 89 10.879 10.807 -0.369 1.00 0.00 C ATOM 1382 C ALA A 89 12.080 10.658 -1.318 1.00 0.00 C ATOM 1383 O ALA A 89 12.870 11.586 -1.480 1.00 0.00 O ATOM 1384 CB ALA A 89 11.221 10.217 1.009 1.00 0.00 C ATOM 0 H ALA A 89 9.384 9.322 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 89 10.654 11.867 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.100 10.720 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.379 10.361 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.427 9.151 0.908 1.00 0.00 H new ATOM 1390 N ALA A 90 12.201 9.448 -1.904 1.00 0.00 N ATOM 1391 CA ALA A 90 13.287 9.080 -2.841 1.00 0.00 C ATOM 1392 C ALA A 90 13.411 10.040 -4.044 1.00 0.00 C ATOM 1393 O ALA A 90 14.518 10.482 -4.371 1.00 0.00 O ATOM 1394 CB ALA A 90 13.090 7.636 -3.331 1.00 0.00 C ATOM 0 H ALA A 90 11.540 8.689 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 90 14.221 9.162 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.893 7.373 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.106 6.957 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.131 7.553 -3.843 1.00 0.00 H new ATOM 1400 N LYS A 91 12.276 10.355 -4.696 1.00 0.00 N ATOM 1401 CA LYS A 91 12.258 11.285 -5.848 1.00 0.00 C ATOM 1402 C LYS A 91 12.613 12.728 -5.407 1.00 0.00 C ATOM 1403 O LYS A 91 13.307 13.451 -6.132 1.00 0.00 O ATOM 1404 CB LYS A 91 10.892 11.214 -6.598 1.00 0.00 C ATOM 1405 CG LYS A 91 9.639 11.526 -5.747 1.00 0.00 C ATOM 1406 CD LYS A 91 8.317 11.371 -6.541 1.00 0.00 C ATOM 1407 CE LYS A 91 7.067 11.689 -5.701 1.00 0.00 C ATOM 1408 NZ LYS A 91 7.066 13.085 -5.185 1.00 0.00 N ATOM 0 H LYS A 91 11.360 9.982 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 91 13.028 10.973 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.922 11.911 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.782 10.215 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.618 10.862 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.710 12.544 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.342 12.030 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.244 10.351 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.176 11.529 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.011 10.995 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.160 13.280 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.843 13.204 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.194 13.748 -5.976 1.00 0.00 H new ATOM 1422 N GLY A 92 12.169 13.115 -4.192 1.00 0.00 N ATOM 1423 CA GLY A 92 12.546 14.406 -3.579 1.00 0.00 C ATOM 1424 C GLY A 92 13.964 14.427 -3.008 1.00 0.00 C ATOM 1425 O GLY A 92 14.500 15.502 -2.705 1.00 0.00 O ATOM 0 H GLY A 92 11.547 12.549 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.454 15.193 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.840 14.639 -2.782 1.00 0.00 H new ATOM 1429 N ALA A 93 14.565 13.238 -2.855 1.00 0.00 N ATOM 1430 CA ALA A 93 15.957 13.071 -2.405 1.00 0.00 C ATOM 1431 C ALA A 93 16.913 13.273 -3.588 1.00 0.00 C ATOM 1432 O ALA A 93 18.025 13.786 -3.424 1.00 0.00 O ATOM 1433 CB ALA A 93 16.165 11.679 -1.794 1.00 0.00 C ATOM 0 H ALA A 93 14.093 12.353 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 93 16.168 13.818 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.200 11.576 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.501 11.554 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.942 10.917 -2.541 1.00 0.00 H new ATOM 1439 N LEU A 94 16.461 12.829 -4.778 1.00 0.00 N ATOM 1440 CA LEU A 94 17.158 13.055 -6.064 1.00 0.00 C ATOM 1441 C LEU A 94 17.246 14.561 -6.397 1.00 0.00 C ATOM 1442 O LEU A 94 18.116 14.982 -7.168 1.00 0.00 O ATOM 1443 CB LEU A 94 16.434 12.278 -7.198 1.00 0.00 C ATOM 1444 CG LEU A 94 16.424 10.722 -7.056 1.00 0.00 C ATOM 1445 CD1 LEU A 94 15.595 10.056 -8.176 1.00 0.00 C ATOM 1446 CD2 LEU A 94 17.866 10.164 -7.000 1.00 0.00 C ATOM 0 H LEU A 94 15.595 12.299 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 94 18.178 12.682 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.402 12.626 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.905 12.535 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 94 15.938 10.475 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.610 8.974 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.566 10.413 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 94 16.023 10.311 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.833 9.079 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.394 10.429 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 94 18.388 10.591 -6.144 1.00 0.00 H new ATOM 1458 N GLU A 95 16.332 15.353 -5.818 1.00 0.00 N ATOM 1459 CA GLU A 95 16.411 16.820 -5.832 1.00 0.00 C ATOM 1460 C GLU A 95 17.394 17.274 -4.733 1.00 0.00 C ATOM 1461 O GLU A 95 17.271 16.826 -3.587 1.00 0.00 O ATOM 1462 CB GLU A 95 15.002 17.438 -5.582 1.00 0.00 C ATOM 1463 CG GLU A 95 13.872 16.885 -6.481 1.00 0.00 C ATOM 1464 CD GLU A 95 14.142 17.035 -7.991 1.00 0.00 C ATOM 1465 OE1 GLU A 95 13.933 18.134 -8.539 1.00 0.00 O ATOM 1466 OE2 GLU A 95 14.572 16.056 -8.640 1.00 0.00 O ATOM 0 H GLU A 95 15.515 14.993 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 95 16.765 17.160 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.730 17.272 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.065 18.516 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.723 15.830 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.942 17.399 -6.236 1.00 0.00 H new ATOM 1473 N HIS A 96 18.382 18.133 -5.080 1.00 0.00 N ATOM 1474 CA HIS A 96 19.321 18.721 -4.082 1.00 0.00 C ATOM 1475 C HIS A 96 18.560 19.569 -3.038 1.00 0.00 C ATOM 1476 O HIS A 96 19.017 19.728 -1.901 1.00 0.00 O ATOM 1477 CB HIS A 96 20.429 19.579 -4.757 1.00 0.00 C ATOM 1478 CG HIS A 96 21.514 18.795 -5.464 1.00 0.00 C ATOM 1479 ND1 HIS A 96 21.664 18.768 -6.832 1.00 0.00 N ATOM 1480 CD2 HIS A 96 22.531 18.045 -4.969 1.00 0.00 C ATOM 1481 CE1 HIS A 96 22.731 18.056 -7.145 1.00 0.00 C ATOM 1482 NE2 HIS A 96 23.275 17.603 -6.034 1.00 0.00 N ATOM 0 H HIS A 96 18.553 18.436 -6.039 1.00 0.00 H new ATOM 0 HA HIS A 96 19.806 17.886 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 96 19.959 20.248 -5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 96 20.894 20.206 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 96 22.720 17.834 -3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 96 23.097 17.875 -8.145 1.00 0.00 H new ATOM 0 HE2 HIS A 96 24.110 17.021 -5.975 1.00 0.00 H new ATOM 1491 N HIS A 97 17.411 20.130 -3.450 1.00 0.00 N ATOM 1492 CA HIS A 97 16.482 20.842 -2.560 1.00 0.00 C ATOM 1493 C HIS A 97 15.056 20.354 -2.835 1.00 0.00 C ATOM 1494 O HIS A 97 14.654 20.237 -3.999 1.00 0.00 O ATOM 1495 CB HIS A 97 16.582 22.378 -2.756 1.00 0.00 C ATOM 1496 CG HIS A 97 17.915 22.950 -2.349 1.00 0.00 C ATOM 1497 ND1 HIS A 97 18.325 23.022 -1.037 1.00 0.00 N ATOM 1498 CD2 HIS A 97 18.940 23.442 -3.084 1.00 0.00 C ATOM 1499 CE1 HIS A 97 19.539 23.529 -0.984 1.00 0.00 C ATOM 1500 NE2 HIS A 97 19.933 23.795 -2.210 1.00 0.00 N ATOM 0 H HIS A 97 17.099 20.101 -4.421 1.00 0.00 H new ATOM 0 HA HIS A 97 16.748 20.629 -1.525 1.00 0.00 H new ATOM 0 HB2 HIS A 97 16.398 22.615 -3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 97 15.796 22.862 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS A 97 18.969 23.538 -4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 97 20.114 23.698 -0.085 1.00 0.00 H new ATOM 0 HE2 HIS A 97 20.833 24.199 -2.468 1.00 0.00 H new ATOM 1509 N HIS A 98 14.307 20.079 -1.755 1.00 0.00 N ATOM 1510 CA HIS A 98 12.918 19.574 -1.826 1.00 0.00 C ATOM 1511 C HIS A 98 11.957 20.668 -2.330 1.00 0.00 C ATOM 1512 O HIS A 98 12.269 21.862 -2.235 1.00 0.00 O ATOM 1513 CB HIS A 98 12.464 19.054 -0.441 1.00 0.00 C ATOM 1514 CG HIS A 98 13.227 17.851 0.049 1.00 0.00 C ATOM 1515 ND1 HIS A 98 12.715 16.574 0.020 1.00 0.00 N ATOM 1516 CD2 HIS A 98 14.465 17.743 0.588 1.00 0.00 C ATOM 1517 CE1 HIS A 98 13.604 15.737 0.515 1.00 0.00 C ATOM 1518 NE2 HIS A 98 14.674 16.418 0.868 1.00 0.00 N ATOM 0 H HIS A 98 14.646 20.200 -0.801 1.00 0.00 H new ATOM 0 HA HIS A 98 12.893 18.748 -2.537 1.00 0.00 H new ATOM 0 HB2 HIS A 98 12.568 19.858 0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.404 18.803 -0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 98 15.159 18.552 0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.476 14.669 0.615 1.00 0.00 H new ATOM 0 HE2 HIS A 98 15.519 16.024 1.282 1.00 0.00 H new ATOM 1527 N HIS A 99 10.787 20.241 -2.846 1.00 0.00 N ATOM 1528 CA HIS A 99 9.809 21.130 -3.511 1.00 0.00 C ATOM 1529 C HIS A 99 9.355 22.276 -2.582 1.00 0.00 C ATOM 1530 O HIS A 99 8.833 22.023 -1.499 1.00 0.00 O ATOM 1531 CB HIS A 99 8.573 20.326 -3.983 1.00 0.00 C ATOM 1532 CG HIS A 99 7.540 21.148 -4.726 1.00 0.00 C ATOM 1533 ND1 HIS A 99 6.431 21.709 -4.113 1.00 0.00 N ATOM 1534 CD2 HIS A 99 7.468 21.525 -6.027 1.00 0.00 C ATOM 1535 CE1 HIS A 99 5.728 22.382 -5.002 1.00 0.00 C ATOM 1536 NE2 HIS A 99 6.334 22.287 -6.170 1.00 0.00 N ATOM 0 H HIS A 99 10.491 19.265 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 99 10.309 21.567 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.907 19.514 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.099 19.868 -3.115 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.172 21.273 -6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 99 4.812 22.920 -4.807 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.012 22.711 -7.040 1.00 0.00 H new ATOM 1545 N HIS A 100 9.577 23.522 -3.018 1.00 0.00 N ATOM 1546 CA HIS A 100 9.118 24.726 -2.305 1.00 0.00 C ATOM 1547 C HIS A 100 7.593 24.880 -2.467 1.00 0.00 C ATOM 1548 O HIS A 100 7.099 24.982 -3.595 1.00 0.00 O ATOM 1549 CB HIS A 100 9.861 25.974 -2.855 1.00 0.00 C ATOM 1550 CG HIS A 100 9.359 27.295 -2.325 1.00 0.00 C ATOM 1551 ND1 HIS A 100 8.476 28.095 -3.019 1.00 0.00 N ATOM 1552 CD2 HIS A 100 9.615 27.946 -1.166 1.00 0.00 C ATOM 1553 CE1 HIS A 100 8.212 29.177 -2.314 1.00 0.00 C ATOM 1554 NE2 HIS A 100 8.890 29.111 -1.183 1.00 0.00 N ATOM 0 H HIS A 100 10.083 23.727 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 100 9.342 24.629 -1.243 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.921 25.882 -2.617 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.777 25.979 -3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.269 27.611 -0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.554 29.980 -2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.877 29.812 -0.442 1.00 0.00 H new ATOM 1563 N HIS A 101 6.861 24.868 -1.341 1.00 0.00 N ATOM 1564 CA HIS A 101 5.414 25.134 -1.320 1.00 0.00 C ATOM 1565 C HIS A 101 5.167 26.644 -1.578 1.00 0.00 C ATOM 1566 O HIS A 101 5.540 27.468 -0.712 1.00 0.00 O ATOM 1567 CB HIS A 101 4.789 24.687 0.034 1.00 0.00 C ATOM 1568 CG HIS A 101 3.302 24.931 0.139 1.00 0.00 C ATOM 1569 ND1 HIS A 101 2.760 26.036 0.763 1.00 0.00 N ATOM 1570 CD2 HIS A 101 2.249 24.207 -0.310 1.00 0.00 C ATOM 1571 CE1 HIS A 101 1.444 25.976 0.694 1.00 0.00 C ATOM 1572 NE2 HIS A 101 1.109 24.880 0.048 1.00 0.00 N ATOM 1573 OXT HIS A 101 4.625 26.997 -2.644 1.00 0.00 O ATOM 0 H HIS A 101 7.256 24.674 -0.421 1.00 0.00 H new ATOM 0 HA HIS A 101 4.931 24.556 -2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.983 23.624 0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.291 25.215 0.845 1.00 0.00 H new ATOM 0 HD2 HIS A 101 2.298 23.273 -0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.757 26.704 1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.155 24.579 -0.154 1.00 0.00 H new TER 1582 HIS A 101