USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 16 THR OG1 : rot -120:sc= -0.0617 USER MOD Set 1.2: A 18 GLN : amide:sc=-0.00345 K(o=-0.065,f=-0.98) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.247 X(o=1,f=0.62) USER MOD Set 2.2: A 12 THR OG1 : rot 23:sc= 0.759 USER MOD Single : A 1 MET CE :methyl 158:sc=-0.00247 (180deg=-1.37) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.55) USER MOD Single : A 11 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 23 GLN : amide:sc=-0.000112 X(o=-0.00011,f=-0.00011) USER MOD Single : A 25 LYS NZ :NH3+ -109:sc= 0.642 (180deg=0.207) USER MOD Single : A 27 HIS : no HD1:sc= 0.419 K(o=0.42,f=-2.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 56 GLN : amide:sc= -0.215 K(o=-0.22,f=-3.7!) USER MOD Single : A 57 CYS SG : rot 81:sc= -0.568 USER MOD Single : A 63 THR OG1 : rot 116:sc= -1.01 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 176:sc= 0 (180deg=-0.0325) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.631 -0.395 -1.045 1.00 0.00 N ATOM 2 CA MET A 1 1.765 -0.014 -1.926 1.00 0.00 C ATOM 3 C MET A 1 2.879 -1.064 -1.810 1.00 0.00 C ATOM 4 O MET A 1 3.813 -0.923 -1.016 1.00 0.00 O ATOM 5 CB MET A 1 2.274 1.409 -1.561 1.00 0.00 C ATOM 6 CG MET A 1 3.497 1.906 -2.352 1.00 0.00 C ATOM 7 SD MET A 1 4.133 3.466 -1.703 1.00 0.00 S ATOM 8 CE MET A 1 5.673 3.627 -2.604 1.00 0.00 C ATOM 0 H1 MET A 1 -0.124 0.316 -1.123 1.00 0.00 H new ATOM 0 H2 MET A 1 0.263 -1.324 -1.335 1.00 0.00 H new ATOM 0 H3 MET A 1 0.959 -0.445 -0.059 1.00 0.00 H new ATOM 0 HA MET A 1 1.432 0.015 -2.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.457 2.116 -1.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.521 1.425 -0.499 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.283 1.151 -2.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.224 2.033 -3.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.978 4.673 -2.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.444 3.031 -2.116 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.535 3.274 -3.626 1.00 0.00 H new ATOM 18 N GLN A 2 2.729 -2.167 -2.553 1.00 0.00 N ATOM 19 CA GLN A 2 3.722 -3.253 -2.577 1.00 0.00 C ATOM 20 C GLN A 2 4.732 -3.004 -3.706 1.00 0.00 C ATOM 21 O GLN A 2 4.350 -2.557 -4.789 1.00 0.00 O ATOM 22 CB GLN A 2 3.014 -4.624 -2.752 1.00 0.00 C ATOM 23 CG GLN A 2 3.957 -5.848 -2.700 1.00 0.00 C ATOM 24 CD GLN A 2 3.240 -7.202 -2.803 1.00 0.00 C ATOM 25 OE1 GLN A 2 2.094 -7.359 -2.378 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.923 -8.192 -3.357 1.00 0.00 N ATOM 0 H GLN A 2 1.921 -2.334 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 2 4.260 -3.273 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.259 -4.730 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.489 -4.627 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.680 -5.770 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.521 -5.818 -1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.870 -8.029 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.502 -9.117 -3.442 1.00 0.00 H new ATOM 35 N LEU A 3 6.018 -3.285 -3.438 1.00 0.00 N ATOM 36 CA LEU A 3 7.096 -3.164 -4.434 1.00 0.00 C ATOM 37 C LEU A 3 8.158 -4.241 -4.171 1.00 0.00 C ATOM 38 O LEU A 3 8.248 -4.789 -3.067 1.00 0.00 O ATOM 39 CB LEU A 3 7.689 -1.711 -4.460 1.00 0.00 C ATOM 40 CG LEU A 3 8.335 -1.138 -3.141 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.771 -1.671 -2.896 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.334 0.407 -3.156 1.00 0.00 C ATOM 0 H LEU A 3 6.340 -3.603 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 3 6.691 -3.334 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.447 -1.676 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.890 -1.032 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 3 7.717 -1.489 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.166 -1.243 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.746 -2.757 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.412 -1.388 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.784 0.780 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.908 0.763 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.309 0.769 -3.231 1.00 0.00 H new ATOM 54 N PHE A 4 8.961 -4.537 -5.192 1.00 0.00 N ATOM 55 CA PHE A 4 9.953 -5.619 -5.161 1.00 0.00 C ATOM 56 C PHE A 4 11.352 -5.025 -4.968 1.00 0.00 C ATOM 57 O PHE A 4 11.823 -4.259 -5.811 1.00 0.00 O ATOM 58 CB PHE A 4 9.872 -6.439 -6.482 1.00 0.00 C ATOM 59 CG PHE A 4 8.444 -6.863 -6.834 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.888 -8.031 -6.309 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.649 -6.074 -7.670 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.587 -8.393 -6.611 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.352 -6.442 -7.971 1.00 0.00 C ATOM 64 CZ PHE A 4 5.822 -7.601 -7.441 1.00 0.00 C ATOM 0 H PHE A 4 8.943 -4.028 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 4 9.745 -6.290 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.280 -5.844 -7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.497 -7.327 -6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.480 -8.659 -5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.054 -5.164 -8.087 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.170 -9.298 -6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.752 -5.822 -8.621 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.808 -7.888 -7.676 1.00 0.00 H new ATOM 74 N VAL A 5 11.991 -5.350 -3.842 1.00 0.00 N ATOM 75 CA VAL A 5 13.396 -5.021 -3.608 1.00 0.00 C ATOM 76 C VAL A 5 14.261 -6.170 -4.152 1.00 0.00 C ATOM 77 O VAL A 5 14.293 -7.279 -3.590 1.00 0.00 O ATOM 78 CB VAL A 5 13.695 -4.732 -2.088 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.205 -4.527 -1.836 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.896 -3.495 -1.603 1.00 0.00 C ATOM 0 H VAL A 5 11.549 -5.848 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 5 13.640 -4.099 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 5 13.377 -5.605 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.374 -4.330 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.748 -5.426 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.560 -3.681 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.115 -3.310 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.182 -2.623 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.829 -3.681 -1.725 1.00 0.00 H new ATOM 90 N ARG A 6 14.909 -5.890 -5.285 1.00 0.00 N ATOM 91 CA ARG A 6 15.739 -6.838 -6.012 1.00 0.00 C ATOM 92 C ARG A 6 17.098 -6.991 -5.294 1.00 0.00 C ATOM 93 O ARG A 6 18.034 -6.220 -5.503 1.00 0.00 O ATOM 94 CB ARG A 6 15.878 -6.342 -7.481 1.00 0.00 C ATOM 95 CG ARG A 6 16.772 -7.188 -8.414 1.00 0.00 C ATOM 96 CD ARG A 6 16.719 -6.694 -9.878 1.00 0.00 C ATOM 97 NE ARG A 6 17.704 -7.386 -10.733 1.00 0.00 N ATOM 98 CZ ARG A 6 17.436 -8.053 -11.867 1.00 0.00 C ATOM 99 NH1 ARG A 6 16.191 -8.197 -12.300 1.00 0.00 N ATOM 100 NH2 ARG A 6 18.429 -8.597 -12.558 1.00 0.00 N ATOM 0 H ARG A 6 14.866 -4.973 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 6 15.286 -7.829 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.881 -6.290 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.271 -5.326 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.802 -7.154 -8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.455 -8.230 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.717 -6.853 -10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.907 -5.621 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 6 18.679 -7.354 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.417 -7.798 -11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.007 -8.707 -13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.390 -8.507 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.232 -9.105 -13.420 1.00 0.00 H new ATOM 114 N ALA A 7 17.131 -7.976 -4.393 1.00 0.00 N ATOM 115 CA ALA A 7 18.314 -8.380 -3.616 1.00 0.00 C ATOM 116 C ALA A 7 18.789 -9.752 -4.123 1.00 0.00 C ATOM 117 O ALA A 7 18.274 -10.239 -5.144 1.00 0.00 O ATOM 118 CB ALA A 7 17.973 -8.409 -2.114 1.00 0.00 C ATOM 0 H ALA A 7 16.307 -8.536 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 7 19.123 -7.661 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 7 18.854 -8.709 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.656 -7.417 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.168 -9.122 -1.937 1.00 0.00 H new ATOM 124 N GLN A 8 19.829 -10.322 -3.473 1.00 0.00 N ATOM 125 CA GLN A 8 20.325 -11.697 -3.760 1.00 0.00 C ATOM 126 C GLN A 8 19.165 -12.734 -3.865 1.00 0.00 C ATOM 127 O GLN A 8 19.191 -13.622 -4.727 1.00 0.00 O ATOM 128 CB GLN A 8 21.375 -12.126 -2.703 1.00 0.00 C ATOM 129 CG GLN A 8 20.889 -12.050 -1.250 1.00 0.00 C ATOM 130 CD GLN A 8 21.919 -12.503 -0.213 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.130 -12.388 -0.406 1.00 0.00 O ATOM 132 NE2 GLN A 8 21.434 -13.036 0.893 1.00 0.00 N ATOM 0 H GLN A 8 20.350 -9.847 -2.736 1.00 0.00 H new ATOM 0 HA GLN A 8 20.809 -11.674 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 8 21.687 -13.149 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.257 -11.495 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.598 -11.023 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 8 19.994 -12.663 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.425 -13.116 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 8 22.068 -13.368 1.620 1.00 0.00 H new ATOM 141 N GLU A 9 18.148 -12.604 -2.985 1.00 0.00 N ATOM 142 CA GLU A 9 16.829 -13.256 -3.171 1.00 0.00 C ATOM 143 C GLU A 9 15.800 -12.184 -3.580 1.00 0.00 C ATOM 144 O GLU A 9 15.989 -10.995 -3.280 1.00 0.00 O ATOM 145 CB GLU A 9 16.324 -13.962 -1.880 1.00 0.00 C ATOM 146 CG GLU A 9 17.247 -15.062 -1.308 1.00 0.00 C ATOM 147 CD GLU A 9 18.437 -14.539 -0.489 1.00 0.00 C ATOM 148 OE1 GLU A 9 18.233 -13.637 0.355 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.569 -15.050 -0.660 1.00 0.00 O ATOM 0 H GLU A 9 18.215 -12.049 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 9 16.944 -14.018 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.173 -13.205 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.350 -14.404 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.653 -15.725 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.628 -15.663 -2.133 1.00 0.00 H new ATOM 156 N LEU A 10 14.712 -12.589 -4.257 1.00 0.00 N ATOM 157 CA LEU A 10 13.607 -11.667 -4.587 1.00 0.00 C ATOM 158 C LEU A 10 12.793 -11.398 -3.307 1.00 0.00 C ATOM 159 O LEU A 10 12.111 -12.293 -2.789 1.00 0.00 O ATOM 160 CB LEU A 10 12.722 -12.245 -5.745 1.00 0.00 C ATOM 161 CG LEU A 10 11.668 -11.275 -6.429 1.00 0.00 C ATOM 162 CD1 LEU A 10 10.370 -11.091 -5.596 1.00 0.00 C ATOM 163 CD2 LEU A 10 12.305 -9.901 -6.765 1.00 0.00 C ATOM 0 H LEU A 10 14.572 -13.544 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 10 14.005 -10.720 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.389 -12.616 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.180 -13.106 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 10 11.372 -11.762 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.693 -10.417 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.885 -12.058 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.619 -10.669 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.559 -9.259 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.664 -9.433 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.140 -10.045 -7.450 1.00 0.00 H new ATOM 175 N HIS A 11 12.922 -10.171 -2.780 1.00 0.00 N ATOM 176 CA HIS A 11 12.154 -9.704 -1.613 1.00 0.00 C ATOM 177 C HIS A 11 11.097 -8.699 -2.067 1.00 0.00 C ATOM 178 O HIS A 11 11.348 -7.889 -2.955 1.00 0.00 O ATOM 179 CB HIS A 11 13.099 -9.061 -0.561 1.00 0.00 C ATOM 180 CG HIS A 11 14.038 -10.053 0.068 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.695 -10.813 1.160 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.279 -10.454 -0.287 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.679 -11.636 1.443 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.652 -11.443 0.578 1.00 0.00 N ATOM 0 H HIS A 11 13.564 -9.471 -3.152 1.00 0.00 H new ATOM 0 HA HIS A 11 11.660 -10.557 -1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.679 -8.271 -1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.500 -8.591 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.867 -10.064 -1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.688 -12.352 2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.538 -11.948 0.557 1.00 0.00 H new ATOM 193 N THR A 12 9.913 -8.754 -1.459 1.00 0.00 N ATOM 194 CA THR A 12 8.845 -7.782 -1.710 1.00 0.00 C ATOM 195 C THR A 12 8.374 -7.190 -0.368 1.00 0.00 C ATOM 196 O THR A 12 8.222 -7.918 0.625 1.00 0.00 O ATOM 197 CB THR A 12 7.658 -8.412 -2.529 1.00 0.00 C ATOM 198 OG1 THR A 12 6.762 -7.379 -2.973 1.00 0.00 O ATOM 199 CG2 THR A 12 6.862 -9.473 -1.742 1.00 0.00 C ATOM 0 H THR A 12 9.665 -9.472 -0.779 1.00 0.00 H new ATOM 0 HA THR A 12 9.238 -6.976 -2.329 1.00 0.00 H new ATOM 0 HB THR A 12 8.112 -8.920 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.239 -6.524 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.060 -9.864 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.527 -10.287 -1.454 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.436 -9.019 -0.848 1.00 0.00 H new ATOM 207 N PHE A 13 8.205 -5.862 -0.337 1.00 0.00 N ATOM 208 CA PHE A 13 7.782 -5.106 0.854 1.00 0.00 C ATOM 209 C PHE A 13 6.594 -4.221 0.479 1.00 0.00 C ATOM 210 O PHE A 13 6.628 -3.549 -0.562 1.00 0.00 O ATOM 211 CB PHE A 13 8.936 -4.204 1.384 1.00 0.00 C ATOM 212 CG PHE A 13 10.167 -4.962 1.896 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.226 -5.426 3.213 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.266 -5.199 1.070 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.341 -6.103 3.675 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.380 -5.874 1.538 1.00 0.00 C ATOM 217 CZ PHE A 13 12.418 -6.322 2.841 1.00 0.00 C ATOM 0 H PHE A 13 8.361 -5.270 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 13 7.507 -5.813 1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.248 -3.532 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.549 -3.582 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.392 -5.254 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.247 -4.850 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.368 -6.462 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.220 -6.050 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.289 -6.844 3.208 1.00 0.00 H new ATOM 227 N GLU A 14 5.525 -4.253 1.292 1.00 0.00 N ATOM 228 CA GLU A 14 4.449 -3.268 1.204 1.00 0.00 C ATOM 229 C GLU A 14 4.783 -2.113 2.156 1.00 0.00 C ATOM 230 O GLU A 14 4.821 -2.294 3.378 1.00 0.00 O ATOM 231 CB GLU A 14 3.054 -3.861 1.531 1.00 0.00 C ATOM 232 CG GLU A 14 1.910 -2.836 1.358 1.00 0.00 C ATOM 233 CD GLU A 14 0.520 -3.370 1.711 1.00 0.00 C ATOM 234 OE1 GLU A 14 0.209 -3.481 2.919 1.00 0.00 O ATOM 235 OE2 GLU A 14 -0.266 -3.675 0.786 1.00 0.00 O ATOM 0 H GLU A 14 5.388 -4.956 2.018 1.00 0.00 H new ATOM 0 HA GLU A 14 4.386 -2.918 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.868 -4.718 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.053 -4.230 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.121 -1.967 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.901 -2.492 0.324 1.00 0.00 H new ATOM 242 N VAL A 15 5.037 -0.936 1.579 1.00 0.00 N ATOM 243 CA VAL A 15 5.477 0.253 2.308 1.00 0.00 C ATOM 244 C VAL A 15 4.360 1.307 2.323 1.00 0.00 C ATOM 245 O VAL A 15 3.596 1.429 1.364 1.00 0.00 O ATOM 246 CB VAL A 15 6.794 0.847 1.671 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.974 -0.148 1.803 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.587 1.250 0.187 1.00 0.00 C ATOM 0 H VAL A 15 4.941 -0.781 0.575 1.00 0.00 H new ATOM 0 HA VAL A 15 5.700 -0.034 3.335 1.00 0.00 H new ATOM 0 HB VAL A 15 7.039 1.751 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.868 0.287 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.159 -0.355 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.726 -1.077 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.517 1.654 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.294 0.373 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.805 2.006 0.121 1.00 0.00 H new ATOM 258 N THR A 16 4.260 2.047 3.435 1.00 0.00 N ATOM 259 CA THR A 16 3.273 3.132 3.594 1.00 0.00 C ATOM 260 C THR A 16 3.802 4.467 3.023 1.00 0.00 C ATOM 261 O THR A 16 3.137 5.508 3.134 1.00 0.00 O ATOM 262 CB THR A 16 2.893 3.290 5.103 1.00 0.00 C ATOM 263 OG1 THR A 16 4.084 3.465 5.890 1.00 0.00 O ATOM 264 CG2 THR A 16 2.104 2.072 5.629 1.00 0.00 C ATOM 0 H THR A 16 4.858 1.914 4.250 1.00 0.00 H new ATOM 0 HA THR A 16 2.381 2.865 3.028 1.00 0.00 H new ATOM 0 HB THR A 16 2.253 4.168 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.150 2.743 6.549 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.860 2.223 6.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.184 1.959 5.056 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.710 1.172 5.523 1.00 0.00 H new ATOM 272 N GLY A 17 5.013 4.429 2.421 1.00 0.00 N ATOM 273 CA GLY A 17 5.599 5.588 1.746 1.00 0.00 C ATOM 274 C GLY A 17 6.446 6.457 2.666 1.00 0.00 C ATOM 275 O GLY A 17 7.479 6.967 2.240 1.00 0.00 O ATOM 0 H GLY A 17 5.600 3.595 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.215 5.243 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.799 6.194 1.320 1.00 0.00 H new ATOM 279 N GLN A 18 5.992 6.625 3.928 1.00 0.00 N ATOM 280 CA GLN A 18 6.667 7.465 4.947 1.00 0.00 C ATOM 281 C GLN A 18 7.990 6.852 5.430 1.00 0.00 C ATOM 282 O GLN A 18 8.824 7.546 6.020 1.00 0.00 O ATOM 283 CB GLN A 18 5.695 7.718 6.142 1.00 0.00 C ATOM 284 CG GLN A 18 5.159 6.452 6.878 1.00 0.00 C ATOM 285 CD GLN A 18 6.129 5.817 7.896 1.00 0.00 C ATOM 286 OE1 GLN A 18 6.922 6.503 8.542 1.00 0.00 O ATOM 287 NE2 GLN A 18 6.092 4.504 8.024 1.00 0.00 N ATOM 0 H GLN A 18 5.141 6.179 4.272 1.00 0.00 H new ATOM 0 HA GLN A 18 6.923 8.417 4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.206 8.347 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.841 8.287 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.238 6.717 7.396 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.900 5.701 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.426 3.957 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.729 4.036 8.669 1.00 0.00 H new ATOM 296 N GLU A 19 8.137 5.538 5.213 1.00 0.00 N ATOM 297 CA GLU A 19 9.371 4.808 5.505 1.00 0.00 C ATOM 298 C GLU A 19 10.498 5.321 4.594 1.00 0.00 C ATOM 299 O GLU A 19 10.268 5.557 3.402 1.00 0.00 O ATOM 300 CB GLU A 19 9.120 3.293 5.319 1.00 0.00 C ATOM 301 CG GLU A 19 10.350 2.407 5.574 1.00 0.00 C ATOM 302 CD GLU A 19 10.005 0.922 5.737 1.00 0.00 C ATOM 303 OE1 GLU A 19 9.693 0.503 6.877 1.00 0.00 O ATOM 304 OE2 GLU A 19 10.011 0.178 4.739 1.00 0.00 O ATOM 0 H GLU A 19 7.397 4.951 4.828 1.00 0.00 H new ATOM 0 HA GLU A 19 9.679 4.974 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.320 2.985 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.766 3.118 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.049 2.521 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.860 2.755 6.472 1.00 0.00 H new ATOM 311 N THR A 20 11.694 5.542 5.166 1.00 0.00 N ATOM 312 CA THR A 20 12.837 6.076 4.416 1.00 0.00 C ATOM 313 C THR A 20 13.584 4.960 3.669 1.00 0.00 C ATOM 314 O THR A 20 13.388 3.767 3.932 1.00 0.00 O ATOM 315 CB THR A 20 13.827 6.848 5.348 1.00 0.00 C ATOM 316 OG1 THR A 20 14.332 5.977 6.372 1.00 0.00 O ATOM 317 CG2 THR A 20 13.171 8.082 5.994 1.00 0.00 C ATOM 0 H THR A 20 11.892 5.357 6.149 1.00 0.00 H new ATOM 0 HA THR A 20 12.436 6.778 3.685 1.00 0.00 H new ATOM 0 HB THR A 20 14.650 7.196 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.952 6.473 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.896 8.587 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.836 8.766 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.316 7.768 6.593 1.00 0.00 H new ATOM 325 N VAL A 21 14.445 5.362 2.727 1.00 0.00 N ATOM 326 CA VAL A 21 15.329 4.440 1.998 1.00 0.00 C ATOM 327 C VAL A 21 16.372 3.822 2.959 1.00 0.00 C ATOM 328 O VAL A 21 16.790 2.681 2.773 1.00 0.00 O ATOM 329 CB VAL A 21 15.999 5.183 0.783 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.118 4.359 0.112 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.918 5.591 -0.256 1.00 0.00 C ATOM 0 H VAL A 21 14.550 6.337 2.447 1.00 0.00 H new ATOM 0 HA VAL A 21 14.742 3.616 1.592 1.00 0.00 H new ATOM 0 HB VAL A 21 16.476 6.078 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.540 4.926 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.900 4.146 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.706 3.422 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.393 6.104 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.408 4.699 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.194 6.256 0.214 1.00 0.00 H new ATOM 341 N ALA A 22 16.733 4.574 4.018 1.00 0.00 N ATOM 342 CA ALA A 22 17.600 4.079 5.105 1.00 0.00 C ATOM 343 C ALA A 22 16.935 2.911 5.863 1.00 0.00 C ATOM 344 O ALA A 22 17.594 1.934 6.217 1.00 0.00 O ATOM 345 CB ALA A 22 17.947 5.220 6.072 1.00 0.00 C ATOM 0 H ALA A 22 16.432 5.540 4.143 1.00 0.00 H new ATOM 0 HA ALA A 22 18.521 3.705 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.587 4.840 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.470 6.009 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.031 5.622 6.504 1.00 0.00 H new ATOM 351 N GLN A 23 15.610 3.020 6.093 1.00 0.00 N ATOM 352 CA GLN A 23 14.819 1.958 6.749 1.00 0.00 C ATOM 353 C GLN A 23 14.638 0.739 5.807 1.00 0.00 C ATOM 354 O GLN A 23 14.621 -0.405 6.271 1.00 0.00 O ATOM 355 CB GLN A 23 13.448 2.516 7.214 1.00 0.00 C ATOM 356 CG GLN A 23 13.518 3.572 8.335 1.00 0.00 C ATOM 357 CD GLN A 23 13.960 2.995 9.686 1.00 0.00 C ATOM 358 OE1 GLN A 23 15.149 2.937 10.003 1.00 0.00 O ATOM 359 NE2 GLN A 23 13.000 2.565 10.490 1.00 0.00 N ATOM 0 H GLN A 23 15.062 3.840 5.832 1.00 0.00 H new ATOM 0 HA GLN A 23 15.364 1.616 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.941 2.954 6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.832 1.685 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.211 4.360 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.538 4.036 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.025 2.627 10.198 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.236 2.172 11.401 1.00 0.00 H new ATOM 368 N ILE A 24 14.506 1.004 4.490 1.00 0.00 N ATOM 369 CA ILE A 24 14.519 -0.046 3.444 1.00 0.00 C ATOM 370 C ILE A 24 15.840 -0.845 3.500 1.00 0.00 C ATOM 371 O ILE A 24 15.824 -2.084 3.487 1.00 0.00 O ATOM 372 CB ILE A 24 14.315 0.567 1.997 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.887 1.185 1.838 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.589 -0.469 0.870 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.747 0.177 1.894 1.00 0.00 C ATOM 0 H ILE A 24 14.388 1.947 4.121 1.00 0.00 H new ATOM 0 HA ILE A 24 13.684 -0.718 3.643 1.00 0.00 H new ATOM 0 HB ILE A 24 15.051 1.364 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.737 1.926 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.839 1.715 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.435 0.001 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.617 -0.823 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.907 -1.312 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.796 0.696 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.866 -0.551 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.762 -0.336 2.855 1.00 0.00 H new ATOM 387 N LYS A 25 16.973 -0.115 3.584 1.00 0.00 N ATOM 388 CA LYS A 25 18.311 -0.715 3.716 1.00 0.00 C ATOM 389 C LYS A 25 18.429 -1.532 4.999 1.00 0.00 C ATOM 390 O LYS A 25 19.002 -2.608 4.987 1.00 0.00 O ATOM 391 CB LYS A 25 19.417 0.361 3.710 1.00 0.00 C ATOM 392 CG LYS A 25 19.555 1.125 2.388 1.00 0.00 C ATOM 393 CD LYS A 25 20.759 2.080 2.408 1.00 0.00 C ATOM 394 CE LYS A 25 20.862 2.904 1.134 1.00 0.00 C ATOM 395 NZ LYS A 25 22.092 3.741 1.115 1.00 0.00 N ATOM 0 H LYS A 25 16.982 0.905 3.562 1.00 0.00 H new ATOM 0 HA LYS A 25 18.443 -1.371 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.215 1.075 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.370 -0.115 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.666 0.416 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.644 1.692 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.676 2.748 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.675 1.504 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.861 2.239 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.985 3.545 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.833 4.741 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.721 3.452 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.583 3.616 0.207 1.00 0.00 H new ATOM 409 N ALA A 26 17.885 -0.984 6.090 1.00 0.00 N ATOM 410 CA ALA A 26 17.836 -1.651 7.398 1.00 0.00 C ATOM 411 C ALA A 26 17.119 -3.017 7.313 1.00 0.00 C ATOM 412 O ALA A 26 17.598 -4.001 7.883 1.00 0.00 O ATOM 413 CB ALA A 26 17.165 -0.737 8.429 1.00 0.00 C ATOM 0 H ALA A 26 17.462 -0.056 6.092 1.00 0.00 H new ATOM 0 HA ALA A 26 18.859 -1.847 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.133 -1.240 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.734 0.188 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.150 -0.508 8.106 1.00 0.00 H new ATOM 419 N HIS A 27 15.986 -3.066 6.570 1.00 0.00 N ATOM 420 CA HIS A 27 15.244 -4.322 6.318 1.00 0.00 C ATOM 421 C HIS A 27 16.127 -5.348 5.587 1.00 0.00 C ATOM 422 O HIS A 27 16.261 -6.488 6.030 1.00 0.00 O ATOM 423 CB HIS A 27 13.956 -4.071 5.490 1.00 0.00 C ATOM 424 CG HIS A 27 12.890 -3.292 6.206 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.574 -3.490 7.534 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.050 -2.326 5.766 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.592 -2.681 7.870 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.254 -1.969 6.817 1.00 0.00 N ATOM 0 H HIS A 27 15.566 -2.245 6.134 1.00 0.00 H new ATOM 0 HA HIS A 27 14.959 -4.721 7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.225 -3.538 4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.542 -5.033 5.187 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.016 -1.914 4.768 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.139 -2.613 8.848 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.517 -1.264 6.790 1.00 0.00 H new ATOM 437 N VAL A 28 16.747 -4.907 4.482 1.00 0.00 N ATOM 438 CA VAL A 28 17.597 -5.773 3.632 1.00 0.00 C ATOM 439 C VAL A 28 18.885 -6.197 4.393 1.00 0.00 C ATOM 440 O VAL A 28 19.419 -7.277 4.178 1.00 0.00 O ATOM 441 CB VAL A 28 17.955 -5.042 2.278 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.790 -5.926 1.324 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.673 -4.547 1.569 1.00 0.00 C ATOM 0 H VAL A 28 16.678 -3.946 4.149 1.00 0.00 H new ATOM 0 HA VAL A 28 17.036 -6.676 3.392 1.00 0.00 H new ATOM 0 HB VAL A 28 18.574 -4.184 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.006 -5.372 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.725 -6.203 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.228 -6.827 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.942 -4.047 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.027 -5.397 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.145 -3.848 2.218 1.00 0.00 H new ATOM 453 N ALA A 29 19.329 -5.342 5.326 1.00 0.00 N ATOM 454 CA ALA A 29 20.504 -5.595 6.180 1.00 0.00 C ATOM 455 C ALA A 29 20.192 -6.627 7.272 1.00 0.00 C ATOM 456 O ALA A 29 21.061 -7.400 7.662 1.00 0.00 O ATOM 457 CB ALA A 29 20.993 -4.284 6.811 1.00 0.00 C ATOM 0 H ALA A 29 18.879 -4.446 5.513 1.00 0.00 H new ATOM 0 HA ALA A 29 21.294 -6.004 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.861 -4.484 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.269 -3.582 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.197 -3.853 7.418 1.00 0.00 H new ATOM 463 N SER A 30 18.952 -6.601 7.782 1.00 0.00 N ATOM 464 CA SER A 30 18.484 -7.548 8.803 1.00 0.00 C ATOM 465 C SER A 30 18.249 -8.948 8.195 1.00 0.00 C ATOM 466 O SER A 30 18.578 -9.968 8.819 1.00 0.00 O ATOM 467 CB SER A 30 17.192 -7.001 9.453 1.00 0.00 C ATOM 468 OG SER A 30 16.694 -7.868 10.464 1.00 0.00 O ATOM 0 H SER A 30 18.246 -5.922 7.498 1.00 0.00 H new ATOM 0 HA SER A 30 19.252 -7.653 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.391 -6.019 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.430 -6.864 8.685 1.00 0.00 H new ATOM 0 HG SER A 30 15.879 -7.486 10.850 1.00 0.00 H new ATOM 474 N LEU A 31 17.684 -8.978 6.976 1.00 0.00 N ATOM 475 CA LEU A 31 17.338 -10.230 6.276 1.00 0.00 C ATOM 476 C LEU A 31 18.590 -10.906 5.662 1.00 0.00 C ATOM 477 O LEU A 31 18.853 -12.093 5.900 1.00 0.00 O ATOM 478 CB LEU A 31 16.270 -9.951 5.182 1.00 0.00 C ATOM 479 CG LEU A 31 14.904 -9.363 5.672 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.900 -9.223 4.505 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.307 -10.197 6.833 1.00 0.00 C ATOM 0 H LEU A 31 17.454 -8.137 6.447 1.00 0.00 H new ATOM 0 HA LEU A 31 16.922 -10.922 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.698 -9.260 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.070 -10.884 4.655 1.00 0.00 H new ATOM 0 HG LEU A 31 15.101 -8.363 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.962 -8.812 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.312 -8.556 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.716 -10.203 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.360 -9.759 7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.140 -11.220 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.001 -10.200 7.673 1.00 0.00 H new ATOM 493 N GLU A 32 19.348 -10.137 4.868 1.00 0.00 N ATOM 494 CA GLU A 32 20.548 -10.632 4.150 1.00 0.00 C ATOM 495 C GLU A 32 21.792 -10.647 5.060 1.00 0.00 C ATOM 496 O GLU A 32 22.786 -11.304 4.740 1.00 0.00 O ATOM 497 CB GLU A 32 20.806 -9.762 2.876 1.00 0.00 C ATOM 498 CG GLU A 32 19.871 -10.023 1.663 1.00 0.00 C ATOM 499 CD GLU A 32 18.368 -10.093 1.998 1.00 0.00 C ATOM 500 OE1 GLU A 32 17.871 -11.203 2.299 1.00 0.00 O ATOM 501 OE2 GLU A 32 17.682 -9.055 1.964 1.00 0.00 O ATOM 0 H GLU A 32 19.152 -9.150 4.700 1.00 0.00 H new ATOM 0 HA GLU A 32 20.357 -11.661 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.719 -8.712 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.835 -9.922 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.027 -9.234 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.166 -10.960 1.192 1.00 0.00 H new ATOM 508 N GLY A 33 21.737 -9.914 6.184 1.00 0.00 N ATOM 509 CA GLY A 33 22.874 -9.809 7.111 1.00 0.00 C ATOM 510 C GLY A 33 23.999 -8.935 6.563 1.00 0.00 C ATOM 511 O GLY A 33 25.135 -8.994 7.049 1.00 0.00 O ATOM 0 H GLY A 33 20.914 -9.384 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.528 -9.397 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 33 23.262 -10.806 7.319 1.00 0.00 H new ATOM 515 N ILE A 34 23.675 -8.116 5.542 1.00 0.00 N ATOM 516 CA ILE A 34 24.657 -7.279 4.822 1.00 0.00 C ATOM 517 C ILE A 34 24.770 -5.887 5.460 1.00 0.00 C ATOM 518 O ILE A 34 23.917 -5.493 6.260 1.00 0.00 O ATOM 519 CB ILE A 34 24.289 -7.143 3.299 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.880 -6.476 3.105 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.362 -8.520 2.595 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.481 -6.243 1.656 1.00 0.00 C ATOM 0 H ILE A 34 22.722 -8.016 5.192 1.00 0.00 H new ATOM 0 HA ILE A 34 25.623 -7.778 4.899 1.00 0.00 H new ATOM 0 HB ILE A 34 25.023 -6.486 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.127 -7.106 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.871 -5.520 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.104 -8.405 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.373 -8.919 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.660 -9.208 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.495 -5.779 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.208 -5.586 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.453 -7.196 1.128 1.00 0.00 H new ATOM 534 N ALA A 35 25.823 -5.145 5.079 1.00 0.00 N ATOM 535 CA ALA A 35 26.100 -3.802 5.614 1.00 0.00 C ATOM 536 C ALA A 35 25.129 -2.760 5.007 1.00 0.00 C ATOM 537 O ALA A 35 25.148 -2.553 3.789 1.00 0.00 O ATOM 538 CB ALA A 35 27.564 -3.414 5.329 1.00 0.00 C ATOM 0 H ALA A 35 26.507 -5.460 4.391 1.00 0.00 H new ATOM 0 HA ALA A 35 25.946 -3.816 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.761 -2.419 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 35 28.230 -4.134 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.738 -3.414 4.253 1.00 0.00 H new ATOM 544 N PRO A 36 24.268 -2.071 5.848 1.00 0.00 N ATOM 545 CA PRO A 36 23.360 -0.994 5.360 1.00 0.00 C ATOM 546 C PRO A 36 24.146 0.246 4.878 1.00 0.00 C ATOM 547 O PRO A 36 23.625 1.070 4.120 1.00 0.00 O ATOM 548 CB PRO A 36 22.476 -0.676 6.600 1.00 0.00 C ATOM 549 CG PRO A 36 23.322 -1.069 7.774 1.00 0.00 C ATOM 550 CD PRO A 36 24.116 -2.278 7.320 1.00 0.00 C ATOM 0 HA PRO A 36 22.774 -1.298 4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.210 0.380 6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.543 -1.239 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.983 -0.255 8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.704 -1.309 8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 36 25.084 -2.332 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.591 -3.207 7.541 1.00 0.00 H new ATOM 558 N GLU A 37 25.408 0.345 5.340 1.00 0.00 N ATOM 559 CA GLU A 37 26.352 1.402 4.949 1.00 0.00 C ATOM 560 C GLU A 37 26.896 1.186 3.524 1.00 0.00 C ATOM 561 O GLU A 37 27.229 2.148 2.836 1.00 0.00 O ATOM 562 CB GLU A 37 27.528 1.443 5.960 1.00 0.00 C ATOM 563 CG GLU A 37 27.120 1.755 7.417 1.00 0.00 C ATOM 564 CD GLU A 37 28.333 1.823 8.366 1.00 0.00 C ATOM 565 OE1 GLU A 37 28.901 0.753 8.691 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.735 2.937 8.773 1.00 0.00 O ATOM 0 H GLU A 37 25.803 -0.319 6.006 1.00 0.00 H new ATOM 0 HA GLU A 37 25.817 2.352 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 37 28.040 0.481 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 37 28.246 2.194 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.586 2.705 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.429 0.989 7.770 1.00 0.00 H new ATOM 573 N ASP A 38 26.980 -0.088 3.105 1.00 0.00 N ATOM 574 CA ASP A 38 27.563 -0.478 1.802 1.00 0.00 C ATOM 575 C ASP A 38 26.510 -0.407 0.696 1.00 0.00 C ATOM 576 O ASP A 38 26.783 0.063 -0.418 1.00 0.00 O ATOM 577 CB ASP A 38 28.158 -1.913 1.888 1.00 0.00 C ATOM 578 CG ASP A 38 28.642 -2.473 0.529 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.681 -2.012 0.023 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.977 -3.376 -0.035 1.00 0.00 O ATOM 0 H ASP A 38 26.647 -0.879 3.657 1.00 0.00 H new ATOM 0 HA ASP A 38 28.363 0.221 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.995 -1.908 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.404 -2.584 2.299 1.00 0.00 H new ATOM 585 N GLN A 39 25.297 -0.869 1.025 1.00 0.00 N ATOM 586 CA GLN A 39 24.219 -1.028 0.048 1.00 0.00 C ATOM 587 C GLN A 39 23.568 0.323 -0.320 1.00 0.00 C ATOM 588 O GLN A 39 23.646 1.307 0.430 1.00 0.00 O ATOM 589 CB GLN A 39 23.160 -2.028 0.577 1.00 0.00 C ATOM 590 CG GLN A 39 22.357 -1.540 1.791 1.00 0.00 C ATOM 591 CD GLN A 39 21.331 -2.562 2.289 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.206 -2.610 1.798 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.697 -3.360 3.283 1.00 0.00 N ATOM 0 H GLN A 39 25.038 -1.142 1.973 1.00 0.00 H new ATOM 0 HA GLN A 39 24.656 -1.429 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.465 -2.259 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.661 -2.959 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.046 -1.302 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 39 21.842 -0.616 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.639 -3.295 3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 39 21.036 -4.039 3.662 1.00 0.00 H new ATOM 602 N VAL A 40 22.945 0.341 -1.503 1.00 0.00 N ATOM 603 CA VAL A 40 22.203 1.483 -2.051 1.00 0.00 C ATOM 604 C VAL A 40 20.964 0.944 -2.793 1.00 0.00 C ATOM 605 O VAL A 40 20.997 -0.170 -3.343 1.00 0.00 O ATOM 606 CB VAL A 40 23.105 2.343 -3.013 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.603 1.514 -4.216 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.387 3.630 -3.484 1.00 0.00 C ATOM 0 H VAL A 40 22.943 -0.466 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 40 21.893 2.140 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 40 23.977 2.650 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.222 2.140 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.191 0.669 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 40 22.748 1.146 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.046 4.193 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.476 3.363 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.133 4.242 -2.619 1.00 0.00 H new ATOM 618 N VAL A 41 19.875 1.729 -2.779 1.00 0.00 N ATOM 619 CA VAL A 41 18.608 1.384 -3.445 1.00 0.00 C ATOM 620 C VAL A 41 18.502 2.162 -4.776 1.00 0.00 C ATOM 621 O VAL A 41 18.493 3.401 -4.790 1.00 0.00 O ATOM 622 CB VAL A 41 17.384 1.683 -2.499 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.031 1.378 -3.181 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.518 0.891 -1.174 1.00 0.00 C ATOM 0 H VAL A 41 19.849 2.630 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 41 18.591 0.317 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 41 17.398 2.750 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.217 1.599 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.927 1.994 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.993 0.325 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.665 1.109 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.546 -0.177 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.437 1.183 -0.667 1.00 0.00 H new ATOM 634 N LEU A 42 18.449 1.405 -5.888 1.00 0.00 N ATOM 635 CA LEU A 42 18.442 1.939 -7.260 1.00 0.00 C ATOM 636 C LEU A 42 17.017 1.859 -7.841 1.00 0.00 C ATOM 637 O LEU A 42 16.546 0.766 -8.179 1.00 0.00 O ATOM 638 CB LEU A 42 19.431 1.145 -8.183 1.00 0.00 C ATOM 639 CG LEU A 42 20.950 1.125 -7.784 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.482 2.530 -7.437 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.235 0.115 -6.657 1.00 0.00 C ATOM 0 H LEU A 42 18.409 0.386 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 42 18.769 2.978 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.085 0.113 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.354 1.558 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 42 21.498 0.789 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.536 2.464 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.369 3.186 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 42 20.918 2.935 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.297 0.133 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.654 0.382 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.956 -0.886 -6.986 1.00 0.00 H new ATOM 653 N LEU A 43 16.333 3.010 -7.912 1.00 0.00 N ATOM 654 CA LEU A 43 15.027 3.138 -8.575 1.00 0.00 C ATOM 655 C LEU A 43 15.264 3.294 -10.090 1.00 0.00 C ATOM 656 O LEU A 43 15.600 4.388 -10.560 1.00 0.00 O ATOM 657 CB LEU A 43 14.264 4.365 -7.989 1.00 0.00 C ATOM 658 CG LEU A 43 12.877 4.716 -8.626 1.00 0.00 C ATOM 659 CD1 LEU A 43 11.855 3.577 -8.436 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.332 6.059 -8.075 1.00 0.00 C ATOM 0 H LEU A 43 16.672 3.883 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 43 14.416 2.252 -8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.112 4.191 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.909 5.239 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 43 13.033 4.833 -9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.906 3.860 -8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.229 2.670 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.706 3.395 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.368 6.277 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.210 5.986 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.034 6.860 -8.308 1.00 0.00 H new ATOM 672 N ALA A 44 15.155 2.167 -10.829 1.00 0.00 N ATOM 673 CA ALA A 44 15.418 2.104 -12.292 1.00 0.00 C ATOM 674 C ALA A 44 16.864 2.559 -12.645 1.00 0.00 C ATOM 675 O ALA A 44 17.135 2.987 -13.775 1.00 0.00 O ATOM 676 CB ALA A 44 14.355 2.914 -13.072 1.00 0.00 C ATOM 0 H ALA A 44 14.881 1.269 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 44 15.339 1.061 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.565 2.856 -14.140 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.366 2.502 -12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.385 3.956 -12.753 1.00 0.00 H new ATOM 682 N GLY A 45 17.789 2.408 -11.667 1.00 0.00 N ATOM 683 CA GLY A 45 19.196 2.812 -11.821 1.00 0.00 C ATOM 684 C GLY A 45 19.562 4.064 -11.023 1.00 0.00 C ATOM 685 O GLY A 45 20.749 4.303 -10.765 1.00 0.00 O ATOM 0 H GLY A 45 17.576 2.004 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.838 1.990 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.401 2.991 -12.877 1.00 0.00 H new ATOM 689 N ALA A 46 18.545 4.865 -10.635 1.00 0.00 N ATOM 690 CA ALA A 46 18.739 6.119 -9.879 1.00 0.00 C ATOM 691 C ALA A 46 18.987 5.830 -8.381 1.00 0.00 C ATOM 692 O ALA A 46 18.092 5.302 -7.708 1.00 0.00 O ATOM 693 CB ALA A 46 17.518 7.045 -10.047 1.00 0.00 C ATOM 0 H ALA A 46 17.567 4.659 -10.838 1.00 0.00 H new ATOM 0 HA ALA A 46 19.619 6.621 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.678 7.964 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.386 7.285 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.626 6.542 -9.675 1.00 0.00 H new ATOM 699 N PRO A 47 20.205 6.151 -7.835 1.00 0.00 N ATOM 700 CA PRO A 47 20.493 6.015 -6.393 1.00 0.00 C ATOM 701 C PRO A 47 19.681 7.030 -5.570 1.00 0.00 C ATOM 702 O PRO A 47 19.907 8.248 -5.668 1.00 0.00 O ATOM 703 CB PRO A 47 22.025 6.284 -6.285 1.00 0.00 C ATOM 704 CG PRO A 47 22.532 6.173 -7.690 1.00 0.00 C ATOM 705 CD PRO A 47 21.398 6.653 -8.562 1.00 0.00 C ATOM 0 HA PRO A 47 20.218 5.037 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.225 7.271 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.509 5.559 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.425 6.782 -7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.805 5.145 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.389 7.739 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.460 6.246 -9.571 1.00 0.00 H new ATOM 713 N LEU A 48 18.714 6.515 -4.801 1.00 0.00 N ATOM 714 CA LEU A 48 17.870 7.329 -3.908 1.00 0.00 C ATOM 715 C LEU A 48 18.673 7.812 -2.684 1.00 0.00 C ATOM 716 O LEU A 48 19.810 7.385 -2.468 1.00 0.00 O ATOM 717 CB LEU A 48 16.626 6.503 -3.482 1.00 0.00 C ATOM 718 CG LEU A 48 15.733 5.965 -4.651 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.524 5.152 -4.122 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.271 7.121 -5.584 1.00 0.00 C ATOM 0 H LEU A 48 18.492 5.520 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 48 17.533 8.218 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.963 5.654 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.007 7.122 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 48 16.347 5.285 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.929 4.796 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.883 4.300 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.909 5.788 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.653 6.717 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.692 7.844 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.144 7.614 -6.012 1.00 0.00 H new ATOM 732 N GLU A 49 18.082 8.720 -1.898 1.00 0.00 N ATOM 733 CA GLU A 49 18.709 9.254 -0.672 1.00 0.00 C ATOM 734 C GLU A 49 18.202 8.471 0.540 1.00 0.00 C ATOM 735 O GLU A 49 17.005 8.190 0.620 1.00 0.00 O ATOM 736 CB GLU A 49 18.367 10.755 -0.504 1.00 0.00 C ATOM 737 CG GLU A 49 18.700 11.626 -1.732 1.00 0.00 C ATOM 738 CD GLU A 49 18.103 13.037 -1.629 1.00 0.00 C ATOM 739 OE1 GLU A 49 16.878 13.187 -1.839 1.00 0.00 O ATOM 740 OE2 GLU A 49 18.843 14.000 -1.322 1.00 0.00 O ATOM 0 H GLU A 49 17.158 9.108 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 49 19.791 9.148 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.304 10.850 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.907 11.144 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.782 11.699 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.323 11.140 -2.632 1.00 0.00 H new ATOM 747 N ASP A 50 19.106 8.151 1.482 1.00 0.00 N ATOM 748 CA ASP A 50 18.757 7.446 2.736 1.00 0.00 C ATOM 749 C ASP A 50 17.662 8.203 3.523 1.00 0.00 C ATOM 750 O ASP A 50 16.757 7.591 4.095 1.00 0.00 O ATOM 751 CB ASP A 50 20.014 7.275 3.629 1.00 0.00 C ATOM 752 CG ASP A 50 21.011 6.226 3.112 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.671 6.475 2.080 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.148 5.148 3.736 1.00 0.00 O ATOM 0 H ASP A 50 20.098 8.372 1.400 1.00 0.00 H new ATOM 0 HA ASP A 50 18.369 6.464 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.523 8.236 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.698 6.996 4.634 1.00 0.00 H new ATOM 759 N GLU A 51 17.760 9.542 3.516 1.00 0.00 N ATOM 760 CA GLU A 51 16.844 10.435 4.252 1.00 0.00 C ATOM 761 C GLU A 51 15.505 10.604 3.511 1.00 0.00 C ATOM 762 O GLU A 51 14.478 10.921 4.129 1.00 0.00 O ATOM 763 CB GLU A 51 17.522 11.811 4.483 1.00 0.00 C ATOM 764 CG GLU A 51 17.896 12.571 3.194 1.00 0.00 C ATOM 765 CD GLU A 51 18.670 13.870 3.460 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.029 14.919 3.687 1.00 0.00 O ATOM 767 OE2 GLU A 51 19.922 13.839 3.446 1.00 0.00 O ATOM 0 H GLU A 51 18.482 10.041 2.996 1.00 0.00 H new ATOM 0 HA GLU A 51 16.625 9.980 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.853 12.435 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.425 11.661 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.497 11.921 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.986 12.805 2.641 1.00 0.00 H new ATOM 774 N ALA A 52 15.526 10.393 2.184 1.00 0.00 N ATOM 775 CA ALA A 52 14.317 10.470 1.350 1.00 0.00 C ATOM 776 C ALA A 52 13.435 9.234 1.585 1.00 0.00 C ATOM 777 O ALA A 52 13.934 8.108 1.611 1.00 0.00 O ATOM 778 CB ALA A 52 14.684 10.611 -0.139 1.00 0.00 C ATOM 0 H ALA A 52 16.374 10.166 1.664 1.00 0.00 H new ATOM 0 HA ALA A 52 13.753 11.358 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.773 10.666 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.268 11.519 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.271 9.748 -0.452 1.00 0.00 H new ATOM 784 N THR A 53 12.130 9.457 1.785 1.00 0.00 N ATOM 785 CA THR A 53 11.144 8.376 1.942 1.00 0.00 C ATOM 786 C THR A 53 10.741 7.845 0.552 1.00 0.00 C ATOM 787 O THR A 53 11.137 8.431 -0.458 1.00 0.00 O ATOM 788 CB THR A 53 9.887 8.878 2.722 1.00 0.00 C ATOM 789 OG1 THR A 53 9.093 9.738 1.898 1.00 0.00 O ATOM 790 CG2 THR A 53 10.272 9.628 4.008 1.00 0.00 C ATOM 0 H THR A 53 11.726 10.392 1.843 1.00 0.00 H new ATOM 0 HA THR A 53 11.593 7.568 2.520 1.00 0.00 H new ATOM 0 HB THR A 53 9.311 7.994 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.309 10.042 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.369 9.960 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.836 8.963 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.884 10.493 3.755 1.00 0.00 H new ATOM 798 N LEU A 54 9.941 6.755 0.489 1.00 0.00 N ATOM 799 CA LEU A 54 9.400 6.256 -0.804 1.00 0.00 C ATOM 800 C LEU A 54 8.447 7.309 -1.430 1.00 0.00 C ATOM 801 O LEU A 54 8.232 7.315 -2.642 1.00 0.00 O ATOM 802 CB LEU A 54 8.670 4.882 -0.662 1.00 0.00 C ATOM 803 CG LEU A 54 9.556 3.614 -0.376 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.728 3.486 -1.381 1.00 0.00 C ATOM 805 CD2 LEU A 54 10.054 3.573 1.081 1.00 0.00 C ATOM 0 H LEU A 54 9.657 6.209 1.303 1.00 0.00 H new ATOM 0 HA LEU A 54 10.252 6.096 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.940 4.971 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.111 4.702 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 54 8.913 2.746 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.313 2.597 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.332 3.403 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.365 4.368 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.661 2.681 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.654 4.460 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.199 3.550 1.757 1.00 0.00 H new ATOM 817 N GLY A 55 7.888 8.190 -0.571 1.00 0.00 N ATOM 818 CA GLY A 55 7.039 9.302 -1.007 1.00 0.00 C ATOM 819 C GLY A 55 7.837 10.471 -1.580 1.00 0.00 C ATOM 820 O GLY A 55 7.427 11.076 -2.580 1.00 0.00 O ATOM 0 H GLY A 55 8.017 8.144 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.338 8.943 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.446 9.653 -0.162 1.00 0.00 H new ATOM 824 N GLN A 56 8.993 10.773 -0.955 1.00 0.00 N ATOM 825 CA GLN A 56 9.898 11.862 -1.394 1.00 0.00 C ATOM 826 C GLN A 56 10.651 11.452 -2.678 1.00 0.00 C ATOM 827 O GLN A 56 11.016 12.295 -3.503 1.00 0.00 O ATOM 828 CB GLN A 56 10.904 12.230 -0.261 1.00 0.00 C ATOM 829 CG GLN A 56 10.260 12.553 1.115 1.00 0.00 C ATOM 830 CD GLN A 56 9.414 13.835 1.175 1.00 0.00 C ATOM 831 OE1 GLN A 56 8.859 14.301 0.182 1.00 0.00 O ATOM 832 NE2 GLN A 56 9.262 14.382 2.368 1.00 0.00 N ATOM 0 H GLN A 56 9.328 10.271 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 56 9.296 12.743 -1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.601 11.402 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.489 13.092 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.631 11.712 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.054 12.630 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.732 13.978 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.674 15.208 2.479 1.00 0.00 H new ATOM 841 N CYS A 57 10.881 10.136 -2.818 1.00 0.00 N ATOM 842 CA CYS A 57 11.444 9.529 -4.033 1.00 0.00 C ATOM 843 C CYS A 57 10.344 9.325 -5.104 1.00 0.00 C ATOM 844 O CYS A 57 10.652 9.144 -6.291 1.00 0.00 O ATOM 845 CB CYS A 57 12.120 8.193 -3.672 1.00 0.00 C ATOM 846 SG CYS A 57 13.500 8.353 -2.510 1.00 0.00 S ATOM 0 H CYS A 57 10.679 9.458 -2.083 1.00 0.00 H new ATOM 0 HA CYS A 57 12.192 10.200 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.373 7.525 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.482 7.722 -4.586 1.00 0.00 H new ATOM 0 HG CYS A 57 13.039 8.441 -1.298 1.00 0.00 H new ATOM 852 N GLY A 58 9.066 9.353 -4.662 1.00 0.00 N ATOM 853 CA GLY A 58 7.904 9.275 -5.557 1.00 0.00 C ATOM 854 C GLY A 58 7.760 7.923 -6.249 1.00 0.00 C ATOM 855 O GLY A 58 7.295 7.849 -7.392 1.00 0.00 O ATOM 0 H GLY A 58 8.819 9.430 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.999 9.479 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.985 10.055 -6.314 1.00 0.00 H new ATOM 859 N VAL A 59 8.165 6.856 -5.537 1.00 0.00 N ATOM 860 CA VAL A 59 8.146 5.477 -6.061 1.00 0.00 C ATOM 861 C VAL A 59 6.689 4.980 -6.192 1.00 0.00 C ATOM 862 O VAL A 59 5.884 5.199 -5.293 1.00 0.00 O ATOM 863 CB VAL A 59 8.961 4.502 -5.122 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.028 3.072 -5.706 1.00 0.00 C ATOM 865 CG2 VAL A 59 10.378 5.056 -4.836 1.00 0.00 C ATOM 0 H VAL A 59 8.515 6.925 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 59 8.617 5.482 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 59 8.427 4.442 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.596 2.430 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.018 2.677 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.517 3.099 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.915 4.364 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.921 5.169 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.297 6.025 -4.344 1.00 0.00 H new ATOM 875 N GLU A 60 6.359 4.332 -7.317 1.00 0.00 N ATOM 876 CA GLU A 60 5.024 3.739 -7.553 1.00 0.00 C ATOM 877 C GLU A 60 5.010 2.253 -7.135 1.00 0.00 C ATOM 878 O GLU A 60 6.056 1.684 -6.794 1.00 0.00 O ATOM 879 CB GLU A 60 4.620 3.930 -9.047 1.00 0.00 C ATOM 880 CG GLU A 60 5.686 3.484 -10.073 1.00 0.00 C ATOM 881 CD GLU A 60 5.317 3.811 -11.530 1.00 0.00 C ATOM 882 OE1 GLU A 60 5.247 5.014 -11.875 1.00 0.00 O ATOM 883 OE2 GLU A 60 5.094 2.877 -12.339 1.00 0.00 O ATOM 0 H GLU A 60 7.007 4.201 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 60 4.285 4.251 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.702 3.373 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.394 4.983 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.634 3.965 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.841 2.409 -9.979 1.00 0.00 H new ATOM 890 N ALA A 61 3.817 1.630 -7.142 1.00 0.00 N ATOM 891 CA ALA A 61 3.651 0.202 -6.799 1.00 0.00 C ATOM 892 C ALA A 61 4.113 -0.710 -7.957 1.00 0.00 C ATOM 893 O ALA A 61 4.310 -0.240 -9.087 1.00 0.00 O ATOM 894 CB ALA A 61 2.188 -0.092 -6.416 1.00 0.00 C ATOM 0 H ALA A 61 2.944 2.098 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 61 4.283 -0.015 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.082 -1.148 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.909 0.514 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.537 0.149 -7.256 1.00 0.00 H new ATOM 900 N LEU A 62 4.300 -2.015 -7.637 1.00 0.00 N ATOM 901 CA LEU A 62 4.768 -3.075 -8.580 1.00 0.00 C ATOM 902 C LEU A 62 6.152 -2.753 -9.209 1.00 0.00 C ATOM 903 O LEU A 62 6.560 -3.391 -10.189 1.00 0.00 O ATOM 904 CB LEU A 62 3.697 -3.392 -9.687 1.00 0.00 C ATOM 905 CG LEU A 62 2.384 -4.138 -9.234 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.708 -5.456 -8.492 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.461 -3.234 -8.386 1.00 0.00 C ATOM 0 H LEU A 62 4.127 -2.373 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 62 4.898 -3.975 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.406 -2.451 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.178 -3.994 -10.458 1.00 0.00 H new ATOM 0 HG LEU A 62 1.838 -4.391 -10.143 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.780 -5.944 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.269 -6.117 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.304 -5.238 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.570 -3.792 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.992 -2.910 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.169 -2.361 -8.971 1.00 0.00 H new ATOM 919 N THR A 63 6.880 -1.803 -8.597 1.00 0.00 N ATOM 920 CA THR A 63 8.187 -1.333 -9.088 1.00 0.00 C ATOM 921 C THR A 63 9.313 -2.166 -8.454 1.00 0.00 C ATOM 922 O THR A 63 9.188 -2.617 -7.318 1.00 0.00 O ATOM 923 CB THR A 63 8.366 0.186 -8.765 1.00 0.00 C ATOM 924 OG1 THR A 63 7.254 0.893 -9.304 1.00 0.00 O ATOM 925 CG2 THR A 63 9.663 0.784 -9.348 1.00 0.00 C ATOM 0 H THR A 63 6.576 -1.337 -7.742 1.00 0.00 H new ATOM 0 HA THR A 63 8.233 -1.459 -10.170 1.00 0.00 H new ATOM 0 HB THR A 63 8.428 0.284 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.742 1.302 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.726 1.841 -9.088 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.524 0.257 -8.936 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.657 0.677 -10.433 1.00 0.00 H new ATOM 933 N THR A 64 10.401 -2.359 -9.201 1.00 0.00 N ATOM 934 CA THR A 64 11.531 -3.201 -8.792 1.00 0.00 C ATOM 935 C THR A 64 12.775 -2.314 -8.577 1.00 0.00 C ATOM 936 O THR A 64 13.377 -1.810 -9.534 1.00 0.00 O ATOM 937 CB THR A 64 11.803 -4.316 -9.856 1.00 0.00 C ATOM 938 OG1 THR A 64 10.591 -5.064 -10.089 1.00 0.00 O ATOM 939 CG2 THR A 64 12.909 -5.287 -9.406 1.00 0.00 C ATOM 0 H THR A 64 10.526 -1.931 -10.118 1.00 0.00 H new ATOM 0 HA THR A 64 11.290 -3.701 -7.854 1.00 0.00 H new ATOM 0 HB THR A 64 12.135 -3.824 -10.770 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.760 -5.761 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.064 -6.044 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.836 -4.735 -9.248 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.612 -5.771 -8.476 1.00 0.00 H new ATOM 947 N LEU A 65 13.110 -2.096 -7.296 1.00 0.00 N ATOM 948 CA LEU A 65 14.256 -1.278 -6.866 1.00 0.00 C ATOM 949 C LEU A 65 15.378 -2.231 -6.435 1.00 0.00 C ATOM 950 O LEU A 65 15.163 -3.060 -5.557 1.00 0.00 O ATOM 951 CB LEU A 65 13.863 -0.334 -5.682 1.00 0.00 C ATOM 952 CG LEU A 65 12.726 0.724 -5.947 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.326 0.073 -6.036 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.738 1.844 -4.875 1.00 0.00 C ATOM 0 H LEU A 65 12.583 -2.490 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 65 14.585 -0.645 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.555 -0.957 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.758 0.204 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 65 12.939 1.172 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.577 0.844 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.312 -0.649 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.101 -0.436 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.942 2.558 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.581 1.406 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.700 2.357 -4.895 1.00 0.00 H new ATOM 966 N GLU A 66 16.568 -2.108 -7.048 1.00 0.00 N ATOM 967 CA GLU A 66 17.677 -3.072 -6.854 1.00 0.00 C ATOM 968 C GLU A 66 18.636 -2.611 -5.736 1.00 0.00 C ATOM 969 O GLU A 66 18.759 -1.426 -5.464 1.00 0.00 O ATOM 970 CB GLU A 66 18.437 -3.282 -8.201 1.00 0.00 C ATOM 971 CG GLU A 66 19.612 -4.297 -8.143 1.00 0.00 C ATOM 972 CD GLU A 66 20.191 -4.678 -9.518 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.689 -3.786 -10.234 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.167 -5.877 -9.881 1.00 0.00 O ATOM 0 H GLU A 66 16.792 -1.346 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 66 17.255 -4.026 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.724 -3.618 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.825 -2.320 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.409 -3.877 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.269 -5.203 -7.643 1.00 0.00 H new ATOM 981 N VAL A 67 19.267 -3.585 -5.063 1.00 0.00 N ATOM 982 CA VAL A 67 20.288 -3.342 -4.034 1.00 0.00 C ATOM 983 C VAL A 67 21.671 -3.641 -4.625 1.00 0.00 C ATOM 984 O VAL A 67 21.933 -4.767 -5.063 1.00 0.00 O ATOM 985 CB VAL A 67 20.032 -4.229 -2.754 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.180 -4.126 -1.721 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.683 -3.861 -2.099 1.00 0.00 C ATOM 0 H VAL A 67 19.080 -4.575 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 67 20.237 -2.298 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 67 19.996 -5.265 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.953 -4.755 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.112 -4.459 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.285 -3.091 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.524 -4.483 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.696 -2.812 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.875 -4.028 -2.811 1.00 0.00 H new ATOM 997 N ALA A 68 22.529 -2.609 -4.667 1.00 0.00 N ATOM 998 CA ALA A 68 23.935 -2.722 -5.115 1.00 0.00 C ATOM 999 C ALA A 68 24.867 -2.149 -4.040 1.00 0.00 C ATOM 1000 O ALA A 68 24.404 -1.481 -3.117 1.00 0.00 O ATOM 1001 CB ALA A 68 24.129 -1.988 -6.453 1.00 0.00 C ATOM 0 H ALA A 68 22.268 -1.663 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 68 24.180 -3.773 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.168 -2.079 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.478 -2.430 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.879 -0.934 -6.330 1.00 0.00 H new ATOM 1007 N GLY A 69 26.174 -2.433 -4.146 1.00 0.00 N ATOM 1008 CA GLY A 69 27.178 -1.863 -3.235 1.00 0.00 C ATOM 1009 C GLY A 69 27.869 -0.659 -3.855 1.00 0.00 C ATOM 1010 O GLY A 69 28.878 -0.809 -4.549 1.00 0.00 O ATOM 0 H GLY A 69 26.561 -3.056 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.699 -1.569 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.920 -2.622 -2.987 1.00 0.00 H new ATOM 1014 N ARG A 70 27.301 0.541 -3.624 1.00 0.00 N ATOM 1015 CA ARG A 70 27.806 1.810 -4.206 1.00 0.00 C ATOM 1016 C ARG A 70 27.860 2.917 -3.139 1.00 0.00 C ATOM 1017 O ARG A 70 27.953 4.102 -3.471 1.00 0.00 O ATOM 1018 CB ARG A 70 26.902 2.269 -5.387 1.00 0.00 C ATOM 1019 CG ARG A 70 26.817 1.305 -6.591 1.00 0.00 C ATOM 1020 CD ARG A 70 25.819 1.797 -7.655 1.00 0.00 C ATOM 1021 NE ARG A 70 26.072 3.198 -8.050 1.00 0.00 N ATOM 1022 CZ ARG A 70 25.279 3.941 -8.835 1.00 0.00 C ATOM 1023 NH1 ARG A 70 24.181 3.430 -9.379 1.00 0.00 N ATOM 1024 NH2 ARG A 70 25.596 5.206 -9.067 1.00 0.00 N ATOM 0 H ARG A 70 26.480 0.663 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 70 28.814 1.628 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 70 25.894 2.431 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.266 3.232 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.804 1.199 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.518 0.316 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 70 25.882 1.156 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 70 24.804 1.708 -7.268 1.00 0.00 H new ATOM 0 HE ARG A 70 26.922 3.637 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 70 23.929 2.458 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 70 23.589 4.010 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 70 26.437 5.606 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 70 25.000 5.780 -9.663 1.00 0.00 H new ATOM 1038 N MET A 71 27.814 2.531 -1.859 1.00 0.00 N ATOM 1039 CA MET A 71 27.840 3.483 -0.733 1.00 0.00 C ATOM 1040 C MET A 71 28.920 3.040 0.275 1.00 0.00 C ATOM 1041 O MET A 71 29.303 1.865 0.303 1.00 0.00 O ATOM 1042 CB MET A 71 26.422 3.578 -0.096 1.00 0.00 C ATOM 1043 CG MET A 71 26.274 4.630 1.017 1.00 0.00 C ATOM 1044 SD MET A 71 26.834 6.279 0.518 1.00 0.00 S ATOM 1045 CE MET A 71 25.685 6.699 -0.802 1.00 0.00 C ATOM 0 H MET A 71 27.758 1.554 -1.571 1.00 0.00 H new ATOM 0 HA MET A 71 28.102 4.484 -1.076 1.00 0.00 H new ATOM 0 HB2 MET A 71 25.702 3.801 -0.883 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.158 2.602 0.311 1.00 0.00 H new ATOM 0 HG2 MET A 71 25.228 4.685 1.320 1.00 0.00 H new ATOM 0 HG3 MET A 71 26.842 4.309 1.890 1.00 0.00 H new ATOM 0 HE1 MET A 71 25.879 7.716 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 71 25.817 6.006 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 71 24.663 6.629 -0.430 1.00 0.00 H new