USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (29 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 NoAdj-H: A 91 E2P HXT : A 91 E2P O20 : A 91 E2P C20 :(short bond) USER MOD Set 1.1: A 45 GLN : amide:sc= -0.446 K(o=0.32,f=-3!) USER MOD Set 1.2: A 49 ASN : amide:sc= 0.765 K(o=0.32,f=-0.62) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= -0.301 USER MOD Set 2.2: A 68 SER OG : rot -33:sc= 0.786 USER MOD Set 2.3: A 72 LYS NZ :NH3+ -113:sc= -0.23 (180deg=-0.0268) USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.165 K(o=0.26,f=-4.9!) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.0938 K(o=0.26,f=-0.26) USER MOD Single : A 1 ILE N :NH3+ -109:sc= 0.571 (180deg=-0.00112) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00856 K(o=-0.0086,f=-1.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 1.16 (180deg=-0.672) USER MOD Single : A 33 ASN : amide:sc= 1.08 K(o=1.1,f=-0.096) USER MOD Single : A 35 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-3.3) USER MOD Single : A 36 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.03) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0855 USER MOD Single : A 41 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0904) USER MOD Single : A 59 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.22) USER MOD Single : A 60 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= 0.725 K(o=0.72,f=-6.7!) USER MOD Single : A 65 ASN : amide:sc= -1.32! C(o=-1.3!,f=-10!) USER MOD Single : A 76 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.79) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.266 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 82 SER OG : rot -108:sc= 1.03 USER MOD Single : A 84 ASN : amide:sc= -0.255 K(o=-0.25,f=-3.3) USER MOD Single : A 88 SER OG : rot -132:sc= 1.17 USER MOD Single : A 91 E2P O6 : rot -110:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.077 -1.861 -6.899 1.00 -0.46 N ATOM 2 CA ILE A 1 8.613 -1.692 -8.258 1.00 0.04 C ATOM 3 C ILE A 1 7.776 -0.687 -9.025 1.00 0.62 C ATOM 4 O ILE A 1 6.638 -0.478 -8.637 1.00 -0.50 O ATOM 5 CB ILE A 1 8.721 -3.007 -9.103 1.00 -0.01 C ATOM 6 CG1 ILE A 1 7.330 -3.668 -9.354 1.00 -0.05 C ATOM 7 CG2 ILE A 1 9.729 -4.009 -8.471 1.00 -0.09 C ATOM 8 CD1 ILE A 1 7.386 -4.877 -10.328 1.00 -0.09 C ATOM 0 H1 ILE A 1 8.727 -1.427 -6.213 1.00 -0.46 H new ATOM 0 H2 ILE A 1 7.147 -1.401 -6.833 1.00 -0.46 H new ATOM 0 H3 ILE A 1 7.977 -2.875 -6.689 1.00 -0.46 H new ATOM 0 HA ILE A 1 9.635 -1.341 -8.112 1.00 0.04 H new ATOM 0 HB ILE A 1 9.110 -2.722 -10.081 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 6.916 -3.998 -8.401 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 6.648 -2.919 -9.756 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 9.779 -4.910 -9.083 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 10.716 -3.549 -8.421 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 9.399 -4.271 -7.466 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 6.384 -5.287 -10.456 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 7.770 -4.549 -11.294 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 8.043 -5.644 -9.918 1.00 -0.09 H new ATOM 22 N ASP A 2 8.306 -0.078 -10.112 1.00 -0.46 N ATOM 23 CA ASP A 2 7.468 0.680 -11.045 1.00 0.04 C ATOM 24 C ASP A 2 6.360 1.479 -10.383 1.00 0.62 C ATOM 25 O ASP A 2 5.253 0.974 -10.264 1.00 -0.50 O ATOM 26 CB ASP A 2 6.908 -0.382 -12.028 1.00 -0.40 C ATOM 27 CG ASP A 2 7.981 -1.191 -12.707 1.00 0.71 C ATOM 28 OD1 ASP A 2 9.190 -0.898 -12.502 1.00 -0.72 O ATOM 29 OD2 ASP A 2 7.609 -2.138 -13.450 1.00 -0.72 O ATOM 0 H ASP A 2 9.297 -0.101 -10.354 1.00 -0.46 H new ATOM 0 HA ASP A 2 8.058 1.448 -11.545 1.00 0.04 H new ATOM 0 HB2 ASP A 2 6.244 -1.055 -11.485 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 6.305 0.117 -12.786 1.00 -0.40 H new ATOM 34 N CYS A 3 6.622 2.737 -9.950 1.00 -0.46 N ATOM 35 CA CYS A 3 5.574 3.535 -9.307 1.00 0.04 C ATOM 36 C CYS A 3 4.453 3.782 -10.300 1.00 0.62 C ATOM 37 O CYS A 3 4.365 4.862 -10.859 1.00 -0.50 O ATOM 38 CB CYS A 3 6.154 4.866 -8.754 1.00 -0.10 C ATOM 39 SG CYS A 3 4.895 6.025 -8.111 1.00 0.82 S ATOM 0 H CYS A 3 7.526 3.202 -10.035 1.00 -0.46 H new ATOM 0 HA CYS A 3 5.170 2.986 -8.456 1.00 0.04 H new ATOM 0 HB2 CYS A 3 6.861 4.637 -7.957 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 6.716 5.361 -9.546 1.00 -0.10 H new ATOM 44 N GLY A 4 3.581 2.774 -10.509 1.00 -0.46 N ATOM 45 CA GLY A 4 2.553 2.849 -11.546 1.00 0.04 C ATOM 46 C GLY A 4 1.869 1.503 -11.660 1.00 0.62 C ATOM 47 O GLY A 4 0.659 1.423 -11.528 1.00 -0.50 O ATOM 0 H GLY A 4 3.575 1.907 -9.972 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 1.825 3.622 -11.299 1.00 0.04 H new ATOM 0 HA3 GLY A 4 3.001 3.126 -12.501 1.00 0.04 H new ATOM 51 N HIS A 5 2.647 0.416 -11.870 1.00 -0.46 N ATOM 52 CA HIS A 5 2.084 -0.931 -11.732 1.00 0.04 C ATOM 53 C HIS A 5 1.624 -1.116 -10.300 1.00 0.62 C ATOM 54 O HIS A 5 0.507 -1.553 -10.079 1.00 -0.50 O ATOM 55 CB HIS A 5 3.141 -2.005 -12.097 1.00 -0.10 C ATOM 56 CG HIS A 5 2.716 -3.401 -11.733 1.00 0.06 C ATOM 57 ND1 HIS A 5 1.701 -4.055 -12.216 1.00 -0.06 N ATOM 58 CD2 HIS A 5 3.311 -4.214 -10.857 1.00 -0.04 C ATOM 59 CE1 HIS A 5 1.614 -5.249 -11.707 1.00 0.11 C ATOM 60 NE2 HIS A 5 2.615 -5.314 -10.878 1.00 -0.06 N ATOM 0 H HIS A 5 3.634 0.449 -12.127 1.00 -0.46 H new ATOM 0 HA HIS A 5 1.241 -1.046 -12.413 1.00 0.04 H new ATOM 0 HB2 HIS A 5 3.341 -1.960 -13.168 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 4.077 -1.773 -11.588 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 4.185 -4.004 -10.258 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 0.880 -6.011 -11.923 1.00 0.11 H new ATOM 0 HE2 HIS A 5 2.830 -6.133 -10.310 1.00 -0.06 H new ATOM 69 N VAL A 6 2.469 -0.769 -9.303 1.00 -0.46 N ATOM 70 CA VAL A 6 2.008 -0.781 -7.910 1.00 0.04 C ATOM 71 C VAL A 6 0.684 -0.052 -7.819 1.00 0.62 C ATOM 72 O VAL A 6 -0.288 -0.638 -7.368 1.00 -0.50 O ATOM 73 CB VAL A 6 3.077 -0.155 -6.959 1.00 -0.01 C ATOM 74 CG1 VAL A 6 2.485 0.329 -5.604 1.00 -0.09 C ATOM 75 CG2 VAL A 6 4.219 -1.180 -6.711 1.00 -0.09 C ATOM 0 H VAL A 6 3.440 -0.487 -9.436 1.00 -0.46 H new ATOM 0 HA VAL A 6 1.864 -1.812 -7.586 1.00 0.04 H new ATOM 0 HB VAL A 6 3.468 0.732 -7.458 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 3.280 0.753 -4.990 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 1.725 1.088 -5.789 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 2.035 -0.515 -5.082 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 4.964 -0.741 -6.047 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 3.808 -2.079 -6.251 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 4.687 -1.440 -7.660 1.00 -0.09 H new ATOM 85 N ASP A 7 0.620 1.225 -8.258 1.00 -0.46 N ATOM 86 CA ASP A 7 -0.645 1.953 -8.180 1.00 0.04 C ATOM 87 C ASP A 7 -1.734 1.139 -8.856 1.00 0.62 C ATOM 88 O ASP A 7 -2.774 0.914 -8.259 1.00 -0.50 O ATOM 89 CB ASP A 7 -0.511 3.374 -8.798 1.00 -0.40 C ATOM 90 CG ASP A 7 -1.765 4.201 -8.695 1.00 0.71 C ATOM 91 OD1 ASP A 7 -2.646 3.886 -7.854 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -1.894 5.190 -9.467 1.00 -0.72 O ATOM 0 H ASP A 7 1.402 1.748 -8.653 1.00 -0.46 H new ATOM 0 HA ASP A 7 -0.919 2.094 -7.134 1.00 0.04 H new ATOM 0 HB2 ASP A 7 0.303 3.901 -8.301 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 -0.235 3.279 -9.848 1.00 -0.40 H new ATOM 97 N SER A 8 -1.521 0.648 -10.096 1.00 -0.46 N ATOM 98 CA SER A 8 -2.562 -0.133 -10.768 1.00 0.04 C ATOM 99 C SER A 8 -3.202 -1.144 -9.839 1.00 0.62 C ATOM 100 O SER A 8 -4.420 -1.232 -9.797 1.00 -0.50 O ATOM 101 CB SER A 8 -2.041 -0.886 -12.018 1.00 0.02 C ATOM 102 OG SER A 8 -3.158 -1.527 -12.659 1.00 -0.55 O ATOM 0 H SER A 8 -0.663 0.777 -10.632 1.00 -0.46 H new ATOM 0 HA SER A 8 -3.303 0.602 -11.083 1.00 0.04 H new ATOM 0 HB2 SER A 8 -1.557 -0.192 -12.705 1.00 0.02 H new ATOM 0 HB3 SER A 8 -1.293 -1.625 -11.731 1.00 0.02 H new ATOM 0 HG SER A 8 -2.847 -2.008 -13.454 1.00 -0.55 H new ATOM 108 N LEU A 9 -2.395 -1.915 -9.073 1.00 -0.46 N ATOM 109 CA LEU A 9 -2.973 -2.955 -8.219 1.00 0.04 C ATOM 110 C LEU A 9 -3.636 -2.419 -6.966 1.00 0.62 C ATOM 111 O LEU A 9 -4.405 -3.165 -6.378 1.00 -0.50 O ATOM 112 CB LEU A 9 -1.936 -4.040 -7.815 1.00 -0.06 C ATOM 113 CG LEU A 9 -1.143 -4.673 -9.000 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -0.398 -5.939 -8.493 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -2.053 -5.047 -10.203 1.00 -0.11 C ATOM 0 H LEU A 9 -1.379 -1.835 -9.034 1.00 -0.46 H new ATOM 0 HA LEU A 9 -3.745 -3.407 -8.842 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -1.225 -3.598 -7.117 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -2.455 -4.835 -7.280 1.00 -0.06 H new ATOM 0 HG LEU A 9 -0.436 -3.925 -9.359 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 0.159 -6.387 -9.316 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 0.292 -5.660 -7.697 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -1.122 -6.658 -8.110 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -1.446 -5.483 -10.997 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -2.803 -5.770 -9.881 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -2.549 -4.151 -10.576 1.00 -0.11 H new ATOM 127 N VAL A 10 -3.393 -1.167 -6.512 1.00 -0.46 N ATOM 128 CA VAL A 10 -4.130 -0.672 -5.344 1.00 0.04 C ATOM 129 C VAL A 10 -5.538 -0.285 -5.735 1.00 0.62 C ATOM 130 O VAL A 10 -6.384 -0.301 -4.859 1.00 -0.50 O ATOM 131 CB VAL A 10 -3.489 0.517 -4.564 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -1.981 0.255 -4.306 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -3.724 1.901 -5.233 1.00 -0.09 C ATOM 0 H VAL A 10 -2.724 -0.514 -6.919 1.00 -0.46 H new ATOM 0 HA VAL A 10 -4.108 -1.517 -4.656 1.00 0.04 H new ATOM 0 HB VAL A 10 -4.003 0.569 -3.604 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 -1.554 1.097 -3.761 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -1.865 -0.655 -3.717 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 -1.464 0.139 -5.258 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 -3.250 2.679 -4.635 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 -3.293 1.899 -6.234 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -4.794 2.096 -5.300 1.00 -0.09 H new ATOM 143 N ARG A 11 -5.838 0.080 -7.003 1.00 -0.46 N ATOM 144 CA ARG A 11 -7.183 0.570 -7.328 1.00 0.04 C ATOM 145 C ARG A 11 -8.277 -0.323 -6.759 1.00 0.62 C ATOM 146 O ARG A 11 -9.119 0.218 -6.057 1.00 -0.50 O ATOM 147 CB ARG A 11 -7.414 0.902 -8.833 1.00 -0.08 C ATOM 148 CG ARG A 11 -6.858 2.296 -9.269 1.00 -0.10 C ATOM 149 CD ARG A 11 -5.318 2.397 -9.110 1.00 -0.23 C ATOM 150 NE ARG A 11 -4.713 3.632 -9.626 1.00 -0.32 N ATOM 151 CZ ARG A 11 -4.434 3.856 -10.893 1.00 0.76 C ATOM 152 NH1 ARG A 11 -4.755 3.033 -11.861 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -3.796 4.955 -11.215 1.00 -0.62 N ATOM 0 H ARG A 11 -5.188 0.045 -7.788 1.00 -0.46 H new ATOM 0 HA ARG A 11 -7.250 1.534 -6.823 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -6.945 0.129 -9.441 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -8.483 0.867 -9.042 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -7.126 2.481 -10.309 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -7.333 3.076 -8.674 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -5.072 2.306 -8.052 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -4.860 1.548 -9.618 1.00 -0.23 H new ATOM 0 HE ARG A 11 -4.493 4.368 -8.955 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -5.248 2.165 -11.650 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 -4.512 3.260 -12.825 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -3.525 5.619 -10.489 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 -3.571 5.147 -12.191 1.00 -0.62 H new ATOM 167 N PRO A 12 -8.345 -1.664 -6.961 1.00 -0.23 N ATOM 168 CA PRO A 12 -9.383 -2.442 -6.286 1.00 0.04 C ATOM 169 C PRO A 12 -9.354 -2.288 -4.775 1.00 0.53 C ATOM 170 O PRO A 12 -10.402 -2.393 -4.156 1.00 -0.50 O ATOM 171 CB PRO A 12 -9.019 -3.871 -6.768 1.00 -0.12 C ATOM 172 CG PRO A 12 -7.534 -3.778 -7.183 1.00 -0.12 C ATOM 173 CD PRO A 12 -7.432 -2.384 -7.837 1.00 -0.01 C ATOM 0 HA PRO A 12 -10.403 -2.138 -6.521 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -9.163 -4.605 -5.975 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -9.646 -4.178 -7.605 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -6.870 -3.868 -6.323 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 -7.261 -4.570 -7.880 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -6.420 -1.980 -7.816 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -7.755 -2.381 -8.878 1.00 -0.01 H new ATOM 181 N CYS A 13 -8.183 -2.030 -4.148 1.00 -0.46 N ATOM 182 CA CYS A 13 -8.146 -1.722 -2.713 1.00 0.04 C ATOM 183 C CYS A 13 -8.558 -0.287 -2.423 1.00 0.62 C ATOM 184 O CYS A 13 -9.089 -0.032 -1.353 1.00 -0.50 O ATOM 185 CB CYS A 13 -6.710 -1.938 -2.160 1.00 -0.10 C ATOM 186 SG CYS A 13 -6.037 -3.548 -2.696 1.00 0.82 S ATOM 0 H CYS A 13 -7.273 -2.030 -4.608 1.00 -0.46 H new ATOM 0 HA CYS A 13 -8.854 -2.393 -2.227 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -6.059 -1.135 -2.505 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -6.725 -1.891 -1.071 1.00 -0.10 H new ATOM 191 N LEU A 14 -8.298 0.664 -3.352 1.00 -0.46 N ATOM 192 CA LEU A 14 -8.472 2.088 -3.062 1.00 0.04 C ATOM 193 C LEU A 14 -9.809 2.410 -2.425 1.00 0.62 C ATOM 194 O LEU A 14 -9.854 3.231 -1.524 1.00 -0.50 O ATOM 195 CB LEU A 14 -8.272 2.960 -4.334 1.00 -0.06 C ATOM 196 CG LEU A 14 -8.375 4.501 -4.111 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -7.307 5.035 -3.111 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -8.214 5.233 -5.473 1.00 -0.11 C ATOM 0 H LEU A 14 -7.971 0.463 -4.297 1.00 -0.46 H new ATOM 0 HA LEU A 14 -7.697 2.332 -2.335 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -7.293 2.736 -4.758 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -9.015 2.667 -5.076 1.00 -0.06 H new ATOM 0 HG LEU A 14 -9.356 4.700 -3.679 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -7.425 6.112 -2.994 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -7.438 4.548 -2.145 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -6.310 4.819 -3.494 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -8.286 6.310 -5.318 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -7.242 4.992 -5.903 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -9.002 4.911 -6.154 1.00 -0.11 H new ATOM 210 N SER A 15 -10.924 1.791 -2.869 1.00 -0.46 N ATOM 211 CA SER A 15 -12.228 2.145 -2.296 1.00 0.04 C ATOM 212 C SER A 15 -12.234 1.983 -0.787 1.00 0.62 C ATOM 213 O SER A 15 -12.619 2.900 -0.078 1.00 -0.50 O ATOM 214 CB SER A 15 -13.381 1.293 -2.893 1.00 0.02 C ATOM 215 OG SER A 15 -13.640 1.631 -4.267 1.00 -0.55 O ATOM 0 H SER A 15 -10.945 1.073 -3.593 1.00 -0.46 H new ATOM 0 HA SER A 15 -12.394 3.191 -2.552 1.00 0.04 H new ATOM 0 HB2 SER A 15 -13.126 0.236 -2.821 1.00 0.02 H new ATOM 0 HB3 SER A 15 -14.286 1.444 -2.305 1.00 0.02 H new ATOM 0 HG SER A 15 -14.370 1.074 -4.609 1.00 -0.55 H new ATOM 221 N TYR A 16 -11.809 0.811 -0.268 1.00 -0.46 N ATOM 222 CA TYR A 16 -11.809 0.614 1.185 1.00 0.04 C ATOM 223 C TYR A 16 -10.798 1.553 1.807 1.00 0.62 C ATOM 224 O TYR A 16 -11.116 2.200 2.791 1.00 -0.50 O ATOM 225 CB TYR A 16 -11.489 -0.866 1.510 1.00 -0.10 C ATOM 226 CG TYR A 16 -11.692 -1.272 2.977 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -10.693 -1.074 3.936 1.00 0.00 C ATOM 228 CD2 TYR A 16 -12.880 -1.896 3.369 1.00 0.00 C ATOM 229 CE1 TYR A 16 -10.763 -1.754 5.156 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -13.018 -2.439 4.649 1.00 -0.26 C ATOM 231 CZ TYR A 16 -11.940 -2.399 5.538 1.00 0.46 C ATOM 232 OH TYR A 16 -12.022 -2.997 6.797 1.00 -0.53 O ATOM 0 H TYR A 16 -11.474 0.018 -0.815 1.00 -0.46 H new ATOM 0 HA TYR A 16 -12.791 0.840 1.601 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -12.114 -1.502 0.884 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -10.454 -1.066 1.234 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -9.873 -0.400 3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.703 -1.959 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.901 -1.780 5.806 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -13.953 -2.888 4.950 1.00 -0.26 H new ATOM 0 HH TYR A 16 -12.907 -3.402 6.910 1.00 -0.53 H new ATOM 242 N VAL A 17 -9.582 1.650 1.221 1.00 -0.46 N ATOM 243 CA VAL A 17 -8.568 2.581 1.737 1.00 0.04 C ATOM 244 C VAL A 17 -9.180 3.954 1.934 1.00 0.62 C ATOM 245 O VAL A 17 -8.989 4.557 2.979 1.00 -0.50 O ATOM 246 CB VAL A 17 -7.360 2.683 0.753 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -6.437 3.908 0.987 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -6.512 1.383 0.710 1.00 -0.09 C ATOM 0 H VAL A 17 -9.289 1.106 0.409 1.00 -0.46 H new ATOM 0 HA VAL A 17 -8.209 2.202 2.694 1.00 0.04 H new ATOM 0 HB VAL A 17 -7.833 2.829 -0.218 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 -5.626 3.897 0.258 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 -7.014 4.826 0.874 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 -6.021 3.863 1.993 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -5.686 1.510 0.010 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -6.116 1.174 1.704 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -7.137 0.551 0.386 1.00 -0.09 H new ATOM 258 N GLN A 18 -9.926 4.470 0.930 1.00 -0.46 N ATOM 259 CA GLN A 18 -10.566 5.776 1.088 1.00 0.04 C ATOM 260 C GLN A 18 -11.534 5.717 2.250 1.00 0.62 C ATOM 261 O GLN A 18 -11.435 6.530 3.156 1.00 -0.50 O ATOM 262 CB GLN A 18 -11.343 6.224 -0.184 1.00 -0.10 C ATOM 263 CG GLN A 18 -10.417 6.578 -1.381 1.00 -0.10 C ATOM 264 CD GLN A 18 -9.797 7.954 -1.310 1.00 0.68 C ATOM 265 OE1 GLN A 18 -9.729 8.544 -0.245 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -9.329 8.503 -2.450 1.00 -0.87 N ATOM 0 H GLN A 18 -10.091 4.012 0.033 1.00 -0.46 H new ATOM 0 HA GLN A 18 -9.774 6.503 1.266 1.00 0.04 H new ATOM 0 HB2 GLN A 18 -12.024 5.427 -0.484 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 -11.956 7.092 0.061 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 -9.620 5.837 -1.438 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 -10.992 6.500 -2.304 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -9.397 7.990 -3.329 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -8.907 9.431 -2.433 1.00 -0.87 H new ATOM 275 N GLY A 19 -12.484 4.756 2.227 1.00 -0.46 N ATOM 276 CA GLY A 19 -13.520 4.712 3.258 1.00 0.04 C ATOM 277 C GLY A 19 -14.744 4.018 2.702 1.00 0.62 C ATOM 278 O GLY A 19 -15.610 4.688 2.162 1.00 -0.50 O ATOM 0 H GLY A 19 -12.548 4.022 1.521 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -13.154 4.181 4.137 1.00 0.04 H new ATOM 0 HA3 GLY A 19 -13.774 5.722 3.579 1.00 0.04 H new ATOM 282 N GLY A 20 -14.825 2.672 2.789 1.00 -0.46 N ATOM 283 CA GLY A 20 -15.937 1.967 2.154 1.00 0.04 C ATOM 284 C GLY A 20 -15.959 0.499 2.515 1.00 0.62 C ATOM 285 O GLY A 20 -15.074 0.094 3.252 1.00 -0.50 O ATOM 0 H GLY A 20 -14.155 2.078 3.277 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -16.878 2.428 2.455 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -15.862 2.073 1.072 1.00 0.04 H new ATOM 289 N PRO A 21 -16.929 -0.323 2.040 1.00 -0.23 N ATOM 290 CA PRO A 21 -16.945 -1.732 2.414 1.00 0.04 C ATOM 291 C PRO A 21 -15.994 -2.535 1.558 1.00 0.53 C ATOM 292 O PRO A 21 -15.380 -1.979 0.661 1.00 -0.50 O ATOM 293 CB PRO A 21 -18.417 -2.061 2.062 1.00 -0.12 C ATOM 294 CG PRO A 21 -18.679 -1.185 0.815 1.00 -0.12 C ATOM 295 CD PRO A 21 -17.997 0.158 1.173 1.00 -0.01 C ATOM 0 HA PRO A 21 -16.643 -1.949 3.439 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -18.554 -3.121 1.847 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -19.093 -1.812 2.880 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -18.250 -1.627 -0.084 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -19.746 -1.058 0.630 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -17.617 0.680 0.294 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -18.672 0.845 1.685 1.00 -0.01 H new ATOM 303 N GLY A 22 -15.861 -3.855 1.829 1.00 -0.46 N ATOM 304 CA GLY A 22 -14.958 -4.692 1.041 1.00 0.04 C ATOM 305 C GLY A 22 -13.582 -4.725 1.675 1.00 0.62 C ATOM 306 O GLY A 22 -13.546 -4.957 2.874 1.00 -0.50 O ATOM 0 H GLY A 22 -16.360 -4.344 2.572 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -15.358 -5.704 0.971 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -14.888 -4.306 0.024 1.00 0.04 H new ATOM 310 N PRO A 23 -12.432 -4.533 0.976 1.00 -0.23 N ATOM 311 CA PRO A 23 -12.420 -4.196 -0.443 1.00 0.04 C ATOM 312 C PRO A 23 -12.832 -5.362 -1.311 1.00 0.53 C ATOM 313 O PRO A 23 -13.079 -6.440 -0.796 1.00 -0.50 O ATOM 314 CB PRO A 23 -10.908 -3.926 -0.644 1.00 -0.12 C ATOM 315 CG PRO A 23 -10.237 -4.848 0.398 1.00 -0.12 C ATOM 316 CD PRO A 23 -11.144 -4.685 1.639 1.00 -0.01 C ATOM 0 HA PRO A 23 -13.100 -3.386 -0.706 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -10.588 -4.166 -1.658 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -10.661 -2.878 -0.472 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -10.200 -5.883 0.058 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -9.211 -4.544 0.605 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -11.112 -5.552 2.298 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -10.878 -3.817 2.242 1.00 -0.01 H new ATOM 324 N SER A 24 -12.901 -5.149 -2.645 1.00 -0.46 N ATOM 325 CA SER A 24 -13.251 -6.247 -3.548 1.00 0.04 C ATOM 326 C SER A 24 -12.306 -7.421 -3.402 1.00 0.62 C ATOM 327 O SER A 24 -11.179 -7.229 -2.976 1.00 -0.50 O ATOM 328 CB SER A 24 -13.198 -5.814 -5.039 1.00 0.02 C ATOM 329 OG SER A 24 -11.849 -5.522 -5.445 1.00 -0.55 O ATOM 0 H SER A 24 -12.724 -4.254 -3.100 1.00 -0.46 H new ATOM 0 HA SER A 24 -14.265 -6.533 -3.269 1.00 0.04 H new ATOM 0 HB2 SER A 24 -13.606 -6.607 -5.666 1.00 0.02 H new ATOM 0 HB3 SER A 24 -13.825 -4.935 -5.188 1.00 0.02 H new ATOM 0 HG SER A 24 -11.842 -5.254 -6.387 1.00 -0.55 H new ATOM 335 N GLY A 25 -12.731 -8.653 -3.769 1.00 -0.46 N ATOM 336 CA GLY A 25 -11.816 -9.791 -3.687 1.00 0.04 C ATOM 337 C GLY A 25 -10.562 -9.538 -4.492 1.00 0.62 C ATOM 338 O GLY A 25 -9.484 -9.883 -4.032 1.00 -0.50 O ATOM 0 H GLY A 25 -13.667 -8.870 -4.111 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -11.553 -9.976 -2.646 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -12.313 -10.689 -4.054 1.00 0.04 H new ATOM 342 N GLN A 26 -10.682 -8.930 -5.696 1.00 -0.46 N ATOM 343 CA GLN A 26 -9.490 -8.625 -6.492 1.00 0.04 C ATOM 344 C GLN A 26 -8.430 -7.977 -5.629 1.00 0.62 C ATOM 345 O GLN A 26 -7.265 -8.321 -5.758 1.00 -0.50 O ATOM 346 CB GLN A 26 -9.830 -7.665 -7.666 1.00 -0.10 C ATOM 347 CG GLN A 26 -8.592 -7.361 -8.555 1.00 -0.10 C ATOM 348 CD GLN A 26 -8.877 -6.343 -9.634 1.00 0.68 C ATOM 349 OE1 GLN A 26 -10.007 -5.908 -9.783 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -7.855 -5.935 -10.412 1.00 -0.87 N ATOM 0 H GLN A 26 -11.567 -8.652 -6.120 1.00 -0.46 H new ATOM 0 HA GLN A 26 -9.117 -9.567 -6.895 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -10.615 -8.108 -8.279 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -10.226 -6.731 -7.266 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -7.780 -6.998 -7.925 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -8.247 -8.286 -9.017 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -6.920 -6.315 -10.266 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -8.017 -5.246 -11.147 1.00 -0.87 H new ATOM 359 N CYS A 27 -8.801 -7.039 -4.728 1.00 -0.46 N ATOM 360 CA CYS A 27 -7.783 -6.420 -3.884 1.00 0.04 C ATOM 361 C CYS A 27 -6.950 -7.484 -3.212 1.00 0.62 C ATOM 362 O CYS A 27 -5.748 -7.292 -3.173 1.00 -0.50 O ATOM 363 CB CYS A 27 -8.388 -5.495 -2.801 1.00 -0.10 C ATOM 364 SG CYS A 27 -7.124 -4.889 -1.629 1.00 0.82 S ATOM 0 H CYS A 27 -9.756 -6.713 -4.578 1.00 -0.46 H new ATOM 0 HA CYS A 27 -7.164 -5.807 -4.539 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -8.874 -4.645 -3.281 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -9.160 -6.036 -2.253 1.00 -0.10 H new ATOM 369 N CYS A 28 -7.523 -8.591 -2.685 1.00 -0.46 N ATOM 370 CA CYS A 28 -6.674 -9.625 -2.087 1.00 0.04 C ATOM 371 C CYS A 28 -5.671 -10.162 -3.086 1.00 0.62 C ATOM 372 O CYS A 28 -4.531 -10.375 -2.701 1.00 -0.50 O ATOM 373 CB CYS A 28 -7.455 -10.778 -1.406 1.00 -0.10 C ATOM 374 SG CYS A 28 -8.079 -10.154 0.192 1.00 0.82 S ATOM 0 H CYS A 28 -8.525 -8.780 -2.664 1.00 -0.46 H new ATOM 0 HA CYS A 28 -6.136 -9.123 -1.283 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -8.281 -11.106 -2.037 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -6.807 -11.641 -1.253 1.00 -0.10 H new ATOM 379 N ASP A 29 -6.029 -10.369 -4.371 1.00 -0.46 N ATOM 380 CA ASP A 29 -4.990 -10.732 -5.334 1.00 0.04 C ATOM 381 C ASP A 29 -3.985 -9.596 -5.389 1.00 0.62 C ATOM 382 O ASP A 29 -2.789 -9.835 -5.419 1.00 -0.50 O ATOM 383 CB ASP A 29 -5.574 -11.065 -6.731 1.00 -0.40 C ATOM 384 CG ASP A 29 -4.502 -11.701 -7.577 1.00 0.71 C ATOM 385 OD1 ASP A 29 -3.674 -10.948 -8.152 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -4.464 -12.963 -7.651 1.00 -0.72 O ATOM 0 H ASP A 29 -6.976 -10.295 -4.743 1.00 -0.46 H new ATOM 0 HA ASP A 29 -4.493 -11.646 -5.008 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -6.424 -11.740 -6.632 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -5.942 -10.158 -7.210 1.00 -0.40 H new ATOM 391 N GLY A 30 -4.432 -8.322 -5.371 1.00 -0.46 N ATOM 392 CA GLY A 30 -3.472 -7.224 -5.254 1.00 0.04 C ATOM 393 C GLY A 30 -2.652 -7.311 -3.981 1.00 0.62 C ATOM 394 O GLY A 30 -1.474 -7.001 -4.027 1.00 -0.50 O ATOM 0 H GLY A 30 -5.411 -8.043 -5.434 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -2.804 -7.235 -6.115 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -4.005 -6.274 -5.276 1.00 0.04 H new ATOM 398 N VAL A 31 -3.234 -7.708 -2.826 1.00 -0.46 N ATOM 399 CA VAL A 31 -2.497 -7.706 -1.557 1.00 0.04 C ATOM 400 C VAL A 31 -1.231 -8.530 -1.688 1.00 0.62 C ATOM 401 O VAL A 31 -0.147 -8.008 -1.473 1.00 -0.50 O ATOM 402 CB VAL A 31 -3.366 -8.218 -0.361 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -2.510 -8.448 0.910 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -4.520 -7.241 0.005 1.00 -0.09 C ATOM 0 H VAL A 31 -4.200 -8.029 -2.754 1.00 -0.46 H new ATOM 0 HA VAL A 31 -2.233 -6.672 -1.336 1.00 0.04 H new ATOM 0 HB VAL A 31 -3.794 -9.161 -0.701 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -3.148 -8.803 1.719 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -1.741 -9.192 0.701 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -2.038 -7.511 1.205 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -5.089 -7.647 0.841 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -4.103 -6.274 0.286 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -5.178 -7.116 -0.855 1.00 -0.09 H new ATOM 414 N LYS A 32 -1.350 -9.833 -2.032 1.00 -0.46 N ATOM 415 CA LYS A 32 -0.155 -10.678 -2.125 1.00 0.04 C ATOM 416 C LYS A 32 0.847 -10.078 -3.093 1.00 0.62 C ATOM 417 O LYS A 32 2.031 -10.070 -2.792 1.00 -0.50 O ATOM 418 CB LYS A 32 -0.491 -12.150 -2.519 1.00 -0.10 C ATOM 419 CG LYS A 32 -0.970 -12.259 -3.991 1.00 -0.16 C ATOM 420 CD LYS A 32 -1.608 -13.617 -4.389 1.00 -0.18 C ATOM 421 CE LYS A 32 -1.996 -13.565 -5.897 1.00 -0.04 C ATOM 422 NZ LYS A 32 -3.007 -14.577 -6.282 1.00 -0.14 N ATOM 0 H LYS A 32 -2.231 -10.302 -2.242 1.00 -0.46 H new ATOM 0 HA LYS A 32 0.289 -10.712 -1.130 1.00 0.04 H new ATOM 0 HB2 LYS A 32 0.391 -12.774 -2.377 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -1.265 -12.536 -1.856 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -1.696 -11.468 -4.178 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -0.119 -12.072 -4.646 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -0.907 -14.431 -4.207 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -2.490 -13.813 -3.779 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -2.380 -12.572 -6.131 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -1.100 -13.711 -6.500 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -3.558 -14.227 -7.091 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -2.529 -15.462 -6.546 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -3.644 -14.754 -5.479 1.00 -0.14 H new ATOM 436 N ASN A 33 0.401 -9.565 -4.265 1.00 -0.46 N ATOM 437 CA ASN A 33 1.356 -9.043 -5.241 1.00 0.04 C ATOM 438 C ASN A 33 2.012 -7.806 -4.677 1.00 0.62 C ATOM 439 O ASN A 33 3.229 -7.724 -4.689 1.00 -0.50 O ATOM 440 CB ASN A 33 0.694 -8.686 -6.598 1.00 -0.09 C ATOM 441 CG ASN A 33 0.298 -9.923 -7.369 1.00 0.68 C ATOM 442 OD1 ASN A 33 1.160 -10.517 -7.996 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -0.979 -10.350 -7.360 1.00 -0.87 N ATOM 0 H ASN A 33 -0.579 -9.507 -4.541 1.00 -0.46 H new ATOM 0 HA ASN A 33 2.088 -9.828 -5.430 1.00 0.04 H new ATOM 0 HB2 ASN A 33 -0.187 -8.069 -6.422 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 1.385 -8.091 -7.195 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -1.241 -11.185 -7.884 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -1.684 -9.839 -6.829 1.00 -0.87 H new ATOM 450 N LEU A 34 1.215 -6.837 -4.177 1.00 -0.46 N ATOM 451 CA LEU A 34 1.783 -5.604 -3.632 1.00 0.04 C ATOM 452 C LEU A 34 2.910 -5.939 -2.677 1.00 0.62 C ATOM 453 O LEU A 34 4.040 -5.535 -2.911 1.00 -0.50 O ATOM 454 CB LEU A 34 0.683 -4.737 -2.945 1.00 -0.06 C ATOM 455 CG LEU A 34 -0.279 -4.041 -3.963 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -1.652 -3.719 -3.310 1.00 -0.11 C ATOM 457 CD2 LEU A 34 0.337 -2.728 -4.517 1.00 -0.11 C ATOM 0 H LEU A 34 0.197 -6.890 -4.143 1.00 -0.46 H new ATOM 0 HA LEU A 34 2.192 -5.009 -4.449 1.00 0.04 H new ATOM 0 HB2 LEU A 34 0.098 -5.368 -2.275 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 1.162 -3.976 -2.329 1.00 -0.06 H new ATOM 0 HG LEU A 34 -0.427 -4.741 -4.785 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 -2.299 -3.236 -4.042 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 -2.118 -4.643 -2.968 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -1.504 -3.052 -2.461 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -0.357 -2.269 -5.222 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 0.526 -2.039 -3.694 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 1.275 -2.952 -5.025 1.00 -0.11 H new ATOM 469 N HIS A 35 2.625 -6.697 -1.595 1.00 -0.46 N ATOM 470 CA HIS A 35 3.689 -7.031 -0.647 1.00 0.04 C ATOM 471 C HIS A 35 4.836 -7.725 -1.347 1.00 0.62 C ATOM 472 O HIS A 35 5.985 -7.409 -1.078 1.00 -0.50 O ATOM 473 CB HIS A 35 3.159 -7.949 0.485 1.00 -0.10 C ATOM 474 CG HIS A 35 4.188 -8.210 1.560 1.00 0.06 C ATOM 475 ND1 HIS A 35 5.343 -8.800 1.432 1.00 -0.06 N ATOM 476 CD2 HIS A 35 4.086 -7.885 2.851 1.00 -0.04 C ATOM 477 CE1 HIS A 35 5.983 -8.872 2.563 1.00 0.11 C ATOM 478 NE2 HIS A 35 5.180 -8.306 3.415 1.00 -0.06 N ATOM 0 H HIS A 35 1.704 -7.072 -1.369 1.00 -0.46 H new ATOM 0 HA HIS A 35 4.042 -6.095 -0.214 1.00 0.04 H new ATOM 0 HB2 HIS A 35 2.279 -7.491 0.935 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 2.840 -8.899 0.056 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 3.263 -7.376 3.330 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 6.956 -9.302 2.750 1.00 0.11 H new ATOM 0 HE2 HIS A 35 5.384 -8.204 4.409 1.00 -0.06 H new ATOM 487 N ASN A 36 4.547 -8.707 -2.227 1.00 -0.46 N ATOM 488 CA ASN A 36 5.632 -9.460 -2.854 1.00 0.04 C ATOM 489 C ASN A 36 6.532 -8.566 -3.680 1.00 0.62 C ATOM 490 O ASN A 36 7.742 -8.677 -3.563 1.00 -0.50 O ATOM 491 CB ASN A 36 5.071 -10.598 -3.750 1.00 -0.09 C ATOM 492 CG ASN A 36 6.194 -11.394 -4.368 1.00 0.68 C ATOM 493 OD1 ASN A 36 6.573 -12.413 -3.814 1.00 -0.47 O ATOM 494 ND2 ASN A 36 6.761 -10.957 -5.511 1.00 -0.87 N ATOM 0 H ASN A 36 3.606 -8.983 -2.506 1.00 -0.46 H new ATOM 0 HA ASN A 36 6.223 -9.894 -2.048 1.00 0.04 H new ATOM 0 HB2 ASN A 36 4.437 -11.256 -3.156 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 4.444 -10.174 -4.535 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 7.527 -11.482 -5.934 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 6.424 -10.102 -5.953 1.00 -0.87 H new ATOM 501 N GLN A 37 5.970 -7.683 -4.535 1.00 -0.46 N ATOM 502 CA GLN A 37 6.784 -6.921 -5.494 1.00 0.04 C ATOM 503 C GLN A 37 7.449 -5.687 -4.910 1.00 0.62 C ATOM 504 O GLN A 37 7.522 -4.676 -5.589 1.00 -0.50 O ATOM 505 CB GLN A 37 5.933 -6.620 -6.769 1.00 -0.10 C ATOM 506 CG GLN A 37 4.857 -5.509 -6.579 1.00 -0.10 C ATOM 507 CD GLN A 37 3.855 -5.435 -7.706 1.00 0.68 C ATOM 508 OE1 GLN A 37 3.964 -6.149 -8.691 1.00 -0.47 O ATOM 509 NE2 GLN A 37 2.841 -4.555 -7.590 1.00 -0.87 N ATOM 0 H GLN A 37 4.970 -7.486 -4.577 1.00 -0.46 H new ATOM 0 HA GLN A 37 7.631 -7.546 -5.777 1.00 0.04 H new ATOM 0 HB2 GLN A 37 6.603 -6.325 -7.577 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 5.438 -7.538 -7.085 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 4.326 -5.686 -5.644 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 5.356 -4.545 -6.485 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 2.768 -3.968 -6.759 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 2.147 -4.476 -8.333 1.00 -0.87 H new ATOM 518 N ALA A 38 7.963 -5.717 -3.657 1.00 -0.46 N ATOM 519 CA ALA A 38 8.490 -4.491 -3.054 1.00 0.04 C ATOM 520 C ALA A 38 9.441 -4.791 -1.910 1.00 0.62 C ATOM 521 O ALA A 38 9.189 -4.364 -0.794 1.00 -0.50 O ATOM 522 CB ALA A 38 7.251 -3.695 -2.589 1.00 -0.10 C ATOM 0 H ALA A 38 8.019 -6.549 -3.070 1.00 -0.46 H new ATOM 0 HA ALA A 38 9.083 -3.916 -3.766 1.00 0.04 H new ATOM 0 HB1 ALA A 38 7.571 -2.762 -2.126 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 6.616 -3.475 -3.448 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 6.690 -4.286 -1.865 1.00 -0.10 H new ATOM 528 N ARG A 39 10.542 -5.536 -2.166 1.00 -0.46 N ATOM 529 CA ARG A 39 11.445 -5.952 -1.088 1.00 0.04 C ATOM 530 C ARG A 39 12.782 -5.232 -1.103 1.00 0.62 C ATOM 531 O ARG A 39 13.198 -4.769 -0.052 1.00 -0.50 O ATOM 532 CB ARG A 39 11.676 -7.489 -1.161 1.00 -0.08 C ATOM 533 CG ARG A 39 10.364 -8.319 -1.288 1.00 -0.10 C ATOM 534 CD ARG A 39 9.357 -8.092 -0.126 1.00 -0.23 C ATOM 535 NE ARG A 39 10.005 -8.347 1.167 1.00 -0.32 N ATOM 536 CZ ARG A 39 10.124 -9.530 1.733 1.00 0.76 C ATOM 537 NH1 ARG A 39 9.716 -10.646 1.179 1.00 -0.62 N ATOM 538 NH2 ARG A 39 10.682 -9.606 2.918 1.00 -0.62 N ATOM 0 H ARG A 39 10.816 -5.853 -3.096 1.00 -0.46 H new ATOM 0 HA ARG A 39 10.957 -5.680 -0.152 1.00 0.04 H new ATOM 0 HB2 ARG A 39 12.318 -7.710 -2.014 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 12.212 -7.809 -0.267 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 9.878 -8.068 -2.231 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 10.619 -9.378 -1.332 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 8.981 -7.070 -0.156 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 8.498 -8.752 -0.246 1.00 -0.23 H new ATOM 0 HE ARG A 39 10.393 -7.546 1.665 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 9.278 -10.628 0.258 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 9.837 -11.532 1.669 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 11.013 -8.760 3.381 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 10.785 -10.512 3.376 1.00 -0.62 H new ATOM 552 N SER A 40 13.499 -5.134 -2.247 1.00 -0.46 N ATOM 553 CA SER A 40 14.855 -4.572 -2.202 1.00 0.04 C ATOM 554 C SER A 40 14.868 -3.092 -1.874 1.00 0.62 C ATOM 555 O SER A 40 13.824 -2.458 -1.915 1.00 -0.50 O ATOM 556 CB SER A 40 15.611 -4.808 -3.538 1.00 0.02 C ATOM 557 OG SER A 40 17.001 -4.449 -3.433 1.00 -0.55 O ATOM 0 H SER A 40 13.174 -5.424 -3.169 1.00 -0.46 H new ATOM 0 HA SER A 40 15.366 -5.099 -1.397 1.00 0.04 H new ATOM 0 HB2 SER A 40 15.526 -5.856 -3.824 1.00 0.02 H new ATOM 0 HB3 SER A 40 15.143 -4.223 -4.330 1.00 0.02 H new ATOM 0 HG SER A 40 17.447 -4.612 -4.291 1.00 -0.55 H new ATOM 563 N GLN A 41 16.052 -2.511 -1.558 1.00 -0.46 N ATOM 564 CA GLN A 41 16.146 -1.078 -1.253 1.00 0.04 C ATOM 565 C GLN A 41 16.157 -0.323 -2.569 1.00 0.62 C ATOM 566 O GLN A 41 17.155 0.274 -2.939 1.00 -0.50 O ATOM 567 CB GLN A 41 17.405 -0.783 -0.389 1.00 -0.10 C ATOM 568 CG GLN A 41 17.353 -1.541 0.966 1.00 -0.10 C ATOM 569 CD GLN A 41 18.587 -1.330 1.809 1.00 0.68 C ATOM 570 OE1 GLN A 41 19.415 -0.496 1.483 1.00 -0.47 O ATOM 571 NE2 GLN A 41 18.738 -2.079 2.921 1.00 -0.87 N ATOM 0 H GLN A 41 16.939 -3.012 -1.510 1.00 -0.46 H new ATOM 0 HA GLN A 41 15.291 -0.750 -0.663 1.00 0.04 H new ATOM 0 HB2 GLN A 41 18.301 -1.075 -0.937 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 17.479 0.289 -0.205 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 16.477 -1.213 1.526 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 17.228 -2.607 0.775 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 18.030 -2.770 3.171 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 19.560 -1.955 3.512 1.00 -0.87 H new ATOM 580 N SER A 42 15.012 -0.374 -3.283 1.00 -0.46 N ATOM 581 CA SER A 42 14.890 0.167 -4.642 1.00 0.04 C ATOM 582 C SER A 42 13.501 -0.174 -5.151 1.00 0.62 C ATOM 583 O SER A 42 12.741 0.715 -5.505 1.00 -0.50 O ATOM 584 CB SER A 42 15.944 -0.420 -5.616 1.00 0.02 C ATOM 585 OG SER A 42 15.569 -0.054 -6.955 1.00 -0.55 O ATOM 0 H SER A 42 14.151 -0.792 -2.929 1.00 -0.46 H new ATOM 0 HA SER A 42 15.058 1.243 -4.600 1.00 0.04 H new ATOM 0 HB2 SER A 42 16.936 -0.035 -5.380 1.00 0.02 H new ATOM 0 HB3 SER A 42 15.991 -1.504 -5.517 1.00 0.02 H new ATOM 0 HG SER A 42 16.224 -0.414 -7.588 1.00 -0.55 H new ATOM 591 N ASP A 43 13.134 -1.478 -5.131 1.00 -0.46 N ATOM 592 CA ASP A 43 11.745 -1.861 -5.379 1.00 0.04 C ATOM 593 C ASP A 43 10.897 -1.054 -4.412 1.00 0.62 C ATOM 594 O ASP A 43 9.931 -0.407 -4.789 1.00 -0.50 O ATOM 595 CB ASP A 43 11.531 -3.384 -5.119 1.00 -0.40 C ATOM 596 CG ASP A 43 12.601 -4.285 -5.671 1.00 0.71 C ATOM 597 OD1 ASP A 43 13.200 -3.937 -6.721 1.00 -0.72 O ATOM 598 OD2 ASP A 43 12.859 -5.343 -5.029 1.00 -0.72 O ATOM 0 H ASP A 43 13.769 -2.255 -4.950 1.00 -0.46 H new ATOM 0 HA ASP A 43 11.474 -1.666 -6.417 1.00 0.04 H new ATOM 0 HB2 ASP A 43 11.461 -3.546 -4.043 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 10.573 -3.678 -5.549 1.00 -0.40 H new ATOM 603 N ARG A 44 11.304 -1.079 -3.121 1.00 -0.46 N ATOM 604 CA ARG A 44 10.628 -0.287 -2.099 1.00 0.04 C ATOM 605 C ARG A 44 10.624 1.183 -2.443 1.00 0.62 C ATOM 606 O ARG A 44 9.587 1.803 -2.267 1.00 -0.50 O ATOM 607 CB ARG A 44 11.300 -0.466 -0.709 1.00 -0.08 C ATOM 608 CG ARG A 44 11.027 -1.892 -0.161 1.00 -0.10 C ATOM 609 CD ARG A 44 11.740 -2.209 1.185 1.00 -0.23 C ATOM 610 NE ARG A 44 11.406 -1.326 2.312 1.00 -0.32 N ATOM 611 CZ ARG A 44 11.789 -1.550 3.551 1.00 0.76 C ATOM 612 NH1 ARG A 44 12.539 -2.568 3.894 1.00 -0.62 N ATOM 613 NH2 ARG A 44 11.409 -0.727 4.497 1.00 -0.62 N ATOM 0 H ARG A 44 12.087 -1.635 -2.778 1.00 -0.46 H new ATOM 0 HA ARG A 44 9.601 -0.650 -2.060 1.00 0.04 H new ATOM 0 HB2 ARG A 44 12.374 -0.300 -0.792 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 10.915 0.279 -0.012 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 9.952 -2.018 -0.028 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 11.343 -2.622 -0.907 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 11.500 -3.234 1.468 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 12.817 -2.167 1.022 1.00 -0.23 H new ATOM 0 HE ARG A 44 10.847 -0.494 2.123 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 12.853 -3.231 3.186 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 12.809 -2.697 4.869 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 10.823 0.076 4.269 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 11.699 -0.890 5.461 1.00 -0.62 H new ATOM 627 N GLN A 45 11.738 1.787 -2.916 1.00 -0.46 N ATOM 628 CA GLN A 45 11.676 3.204 -3.275 1.00 0.04 C ATOM 629 C GLN A 45 10.490 3.417 -4.189 1.00 0.62 C ATOM 630 O GLN A 45 9.624 4.208 -3.845 1.00 -0.50 O ATOM 631 CB GLN A 45 12.934 3.777 -3.991 1.00 -0.10 C ATOM 632 CG GLN A 45 14.127 4.070 -3.041 1.00 -0.10 C ATOM 633 CD GLN A 45 13.940 5.326 -2.215 1.00 0.68 C ATOM 634 OE1 GLN A 45 12.825 5.789 -2.029 1.00 -0.47 O ATOM 635 NE2 GLN A 45 15.031 5.921 -1.690 1.00 -0.87 N ATOM 0 H GLN A 45 12.643 1.336 -3.050 1.00 -0.46 H new ATOM 0 HA GLN A 45 11.599 3.736 -2.327 1.00 0.04 H new ATOM 0 HB2 GLN A 45 13.257 3.070 -4.755 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 12.658 4.698 -4.505 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 14.267 3.221 -2.372 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 15.038 4.164 -3.632 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 15.956 5.524 -1.853 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 14.930 6.768 -1.130 1.00 -0.87 H new ATOM 644 N SER A 46 10.432 2.730 -5.348 1.00 -0.46 N ATOM 645 CA SER A 46 9.323 2.961 -6.272 1.00 0.04 C ATOM 646 C SER A 46 7.992 2.763 -5.582 1.00 0.62 C ATOM 647 O SER A 46 7.143 3.641 -5.643 1.00 -0.50 O ATOM 648 CB SER A 46 9.421 1.996 -7.483 1.00 0.02 C ATOM 649 OG SER A 46 10.623 2.228 -8.235 1.00 -0.55 O ATOM 0 H SER A 46 11.116 2.037 -5.652 1.00 -0.46 H new ATOM 0 HA SER A 46 9.389 3.992 -6.620 1.00 0.04 H new ATOM 0 HB2 SER A 46 9.402 0.964 -7.132 1.00 0.02 H new ATOM 0 HB3 SER A 46 8.553 2.129 -8.129 1.00 0.02 H new ATOM 0 HG SER A 46 10.661 1.606 -8.991 1.00 -0.55 H new ATOM 655 N ALA A 47 7.784 1.607 -4.915 1.00 -0.46 N ATOM 656 CA ALA A 47 6.469 1.343 -4.335 1.00 0.04 C ATOM 657 C ALA A 47 6.121 2.399 -3.309 1.00 0.62 C ATOM 658 O ALA A 47 5.051 2.984 -3.368 1.00 -0.50 O ATOM 659 CB ALA A 47 6.410 -0.063 -3.680 1.00 -0.10 C ATOM 0 H ALA A 47 8.482 0.877 -4.773 1.00 -0.46 H new ATOM 0 HA ALA A 47 5.741 1.374 -5.145 1.00 0.04 H new ATOM 0 HB1 ALA A 47 5.418 -0.227 -3.259 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 6.614 -0.824 -4.433 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 7.156 -0.127 -2.888 1.00 -0.10 H new ATOM 665 N CYS A 48 7.029 2.661 -2.343 1.00 -0.46 N ATOM 666 CA CYS A 48 6.714 3.616 -1.286 1.00 0.04 C ATOM 667 C CYS A 48 6.652 5.044 -1.774 1.00 0.62 C ATOM 668 O CYS A 48 5.922 5.826 -1.186 1.00 -0.50 O ATOM 669 CB CYS A 48 7.657 3.456 -0.068 1.00 -0.10 C ATOM 670 SG CYS A 48 9.357 4.007 -0.444 1.00 0.82 S ATOM 0 H CYS A 48 7.954 2.235 -2.282 1.00 -0.46 H new ATOM 0 HA CYS A 48 5.706 3.375 -0.950 1.00 0.04 H new ATOM 0 HB2 CYS A 48 7.266 4.031 0.771 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 7.675 2.411 0.242 1.00 -0.10 H new ATOM 675 N ASN A 49 7.395 5.435 -2.832 1.00 -0.46 N ATOM 676 CA ASN A 49 7.198 6.783 -3.369 1.00 0.04 C ATOM 677 C ASN A 49 5.789 6.836 -3.919 1.00 0.62 C ATOM 678 O ASN A 49 5.092 7.802 -3.651 1.00 -0.50 O ATOM 679 CB ASN A 49 8.248 7.211 -4.430 1.00 -0.09 C ATOM 680 CG ASN A 49 9.515 7.690 -3.755 1.00 0.68 C ATOM 681 OD1 ASN A 49 9.717 8.888 -3.652 1.00 -0.47 O ATOM 682 ND2 ASN A 49 10.391 6.795 -3.260 1.00 -0.87 N ATOM 0 H ASN A 49 8.098 4.867 -3.304 1.00 -0.46 H new ATOM 0 HA ASN A 49 7.340 7.505 -2.565 1.00 0.04 H new ATOM 0 HB2 ASN A 49 8.474 6.371 -5.087 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 7.839 8.004 -5.056 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 11.238 7.116 -2.791 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 10.208 5.796 -3.354 1.00 -0.87 H new ATOM 689 N CYS A 50 5.326 5.800 -4.659 1.00 -0.46 N ATOM 690 CA CYS A 50 3.910 5.771 -5.032 1.00 0.04 C ATOM 691 C CYS A 50 3.060 5.925 -3.785 1.00 0.62 C ATOM 692 O CYS A 50 2.179 6.767 -3.798 1.00 -0.50 O ATOM 693 CB CYS A 50 3.492 4.511 -5.850 1.00 -0.10 C ATOM 694 SG CYS A 50 3.284 4.879 -7.628 1.00 0.82 S ATOM 0 H CYS A 50 5.887 5.015 -4.991 1.00 -0.46 H new ATOM 0 HA CYS A 50 3.741 6.610 -5.707 1.00 0.04 H new ATOM 0 HB2 CYS A 50 4.246 3.734 -5.728 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 2.558 4.114 -5.451 1.00 -0.10 H new ATOM 699 N LEU A 51 3.283 5.165 -2.690 1.00 -0.46 N ATOM 700 CA LEU A 51 2.451 5.376 -1.500 1.00 0.04 C ATOM 701 C LEU A 51 2.427 6.837 -1.128 1.00 0.62 C ATOM 702 O LEU A 51 1.357 7.423 -1.063 1.00 -0.50 O ATOM 703 CB LEU A 51 2.899 4.507 -0.290 1.00 -0.06 C ATOM 704 CG LEU A 51 2.065 4.593 1.027 1.00 -0.01 C ATOM 705 CD1 LEU A 51 2.134 5.971 1.741 1.00 -0.11 C ATOM 706 CD2 LEU A 51 0.590 4.173 0.809 1.00 -0.11 C ATOM 0 H LEU A 51 3.994 4.439 -2.610 1.00 -0.46 H new ATOM 0 HA LEU A 51 1.441 5.055 -1.757 1.00 0.04 H new ATOM 0 HB2 LEU A 51 2.907 3.466 -0.612 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 3.928 4.774 -0.051 1.00 -0.06 H new ATOM 0 HG LEU A 51 2.542 3.877 1.697 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.527 5.943 2.646 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 3.168 6.193 2.005 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 1.756 6.746 1.074 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 0.047 4.248 1.751 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 0.130 4.831 0.072 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 0.554 3.144 0.450 1.00 -0.11 H new ATOM 718 N LYS A 52 3.607 7.442 -0.877 1.00 -0.46 N ATOM 719 CA LYS A 52 3.615 8.822 -0.399 1.00 0.04 C ATOM 720 C LYS A 52 2.861 9.697 -1.380 1.00 0.62 C ATOM 721 O LYS A 52 2.029 10.488 -0.961 1.00 -0.50 O ATOM 722 CB LYS A 52 5.048 9.379 -0.157 1.00 -0.10 C ATOM 723 CG LYS A 52 5.855 8.673 0.980 1.00 -0.16 C ATOM 724 CD LYS A 52 5.367 8.916 2.443 1.00 -0.18 C ATOM 725 CE LYS A 52 5.964 10.167 3.154 1.00 -0.04 C ATOM 726 NZ LYS A 52 5.632 11.463 2.515 1.00 -0.14 N ATOM 0 H LYS A 52 4.524 7.012 -0.994 1.00 -0.46 H new ATOM 0 HA LYS A 52 3.120 8.833 0.572 1.00 0.04 H new ATOM 0 HB2 LYS A 52 5.613 9.298 -1.085 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 4.973 10.441 0.079 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 5.841 7.600 0.791 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 6.894 8.995 0.910 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 4.281 9.010 2.434 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 5.606 8.034 3.038 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 5.610 10.185 4.185 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 7.048 10.063 3.191 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 5.968 12.243 3.116 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 6.094 11.520 1.585 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 4.602 11.537 2.395 1.00 -0.14 H new ATOM 740 N GLY A 53 3.130 9.566 -2.696 1.00 -0.46 N ATOM 741 CA GLY A 53 2.426 10.398 -3.670 1.00 0.04 C ATOM 742 C GLY A 53 0.934 10.146 -3.684 1.00 0.62 C ATOM 743 O GLY A 53 0.175 11.101 -3.735 1.00 -0.50 O ATOM 0 H GLY A 53 3.807 8.913 -3.090 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 2.611 11.448 -3.445 1.00 0.04 H new ATOM 0 HA3 GLY A 53 2.832 10.209 -4.664 1.00 0.04 H new ATOM 747 N ILE A 54 0.492 8.868 -3.664 1.00 -0.46 N ATOM 748 CA ILE A 54 -0.938 8.572 -3.767 1.00 0.04 C ATOM 749 C ILE A 54 -1.572 8.749 -2.401 1.00 0.62 C ATOM 750 O ILE A 54 -2.300 9.708 -2.207 1.00 -0.50 O ATOM 751 CB ILE A 54 -1.236 7.180 -4.421 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -1.038 7.180 -5.972 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -2.692 6.712 -4.122 1.00 -0.09 C ATOM 754 CD1 ILE A 54 0.414 7.449 -6.444 1.00 -0.09 C ATOM 0 H ILE A 54 1.095 8.050 -3.579 1.00 -0.46 H new ATOM 0 HA ILE A 54 -1.397 9.281 -4.456 1.00 0.04 H new ATOM 0 HB ILE A 54 -0.516 6.494 -3.975 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 -1.360 6.215 -6.365 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 -1.692 7.936 -6.407 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 -2.866 5.743 -4.590 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 -2.832 6.625 -3.045 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 -3.398 7.440 -4.522 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 0.452 7.429 -7.533 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 0.737 8.427 -6.087 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 1.075 6.680 -6.044 1.00 -0.09 H new ATOM 766 N ALA A 55 -1.348 7.846 -1.421 1.00 -0.46 N ATOM 767 CA ALA A 55 -2.169 7.895 -0.209 1.00 0.04 C ATOM 768 C ALA A 55 -1.839 9.075 0.671 1.00 0.62 C ATOM 769 O ALA A 55 -2.746 9.769 1.100 1.00 -0.50 O ATOM 770 CB ALA A 55 -2.008 6.626 0.660 1.00 -0.10 C ATOM 0 H ALA A 55 -0.640 7.112 -1.446 1.00 -0.46 H new ATOM 0 HA ALA A 55 -3.192 7.978 -0.577 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -2.636 6.710 1.547 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -2.308 5.750 0.084 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -0.966 6.522 0.962 1.00 -0.10 H new ATOM 776 N ARG A 56 -0.544 9.309 0.976 1.00 -0.46 N ATOM 777 CA ARG A 56 -0.211 10.388 1.908 1.00 0.04 C ATOM 778 C ARG A 56 -0.540 11.695 1.215 1.00 0.62 C ATOM 779 O ARG A 56 -1.102 12.585 1.833 1.00 -0.50 O ATOM 780 CB ARG A 56 1.266 10.287 2.394 1.00 -0.08 C ATOM 781 CG ARG A 56 1.522 10.818 3.835 1.00 -0.10 C ATOM 782 CD ARG A 56 1.202 12.324 4.021 1.00 -0.23 C ATOM 783 NE ARG A 56 1.602 12.797 5.352 1.00 -0.32 N ATOM 784 CZ ARG A 56 1.433 14.034 5.767 1.00 0.76 C ATOM 785 NH1 ARG A 56 0.889 14.964 5.022 1.00 -0.62 N ATOM 786 NH2 ARG A 56 1.822 14.358 6.976 1.00 -0.62 N ATOM 0 H ARG A 56 0.250 8.787 0.606 1.00 -0.46 H new ATOM 0 HA ARG A 56 -0.800 10.317 2.823 1.00 0.04 H new ATOM 0 HB2 ARG A 56 1.578 9.244 2.347 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 1.899 10.841 1.701 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 0.919 10.240 4.536 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 2.566 10.645 4.094 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 1.719 12.904 3.257 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 0.134 12.491 3.880 1.00 -0.23 H new ATOM 0 HE ARG A 56 2.035 12.130 5.990 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 0.576 14.742 4.077 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 0.778 15.910 5.387 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 2.249 13.655 7.580 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 1.698 15.313 7.313 1.00 -0.62 H new ATOM 800 N GLY A 57 -0.221 11.833 -0.094 1.00 -0.46 N ATOM 801 CA GLY A 57 -0.645 13.029 -0.821 1.00 0.04 C ATOM 802 C GLY A 57 -2.142 13.227 -0.716 1.00 0.62 C ATOM 803 O GLY A 57 -2.579 14.331 -0.430 1.00 -0.50 O ATOM 0 H GLY A 57 0.308 11.154 -0.641 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 -0.130 13.903 -0.422 1.00 0.04 H new ATOM 0 HA3 GLY A 57 -0.359 12.942 -1.869 1.00 0.04 H new ATOM 807 N ILE A 58 -2.955 12.167 -0.942 1.00 -0.46 N ATOM 808 CA ILE A 58 -4.405 12.305 -0.757 1.00 0.04 C ATOM 809 C ILE A 58 -4.656 12.720 0.683 1.00 0.62 C ATOM 810 O ILE A 58 -3.937 12.254 1.552 1.00 -0.50 O ATOM 811 CB ILE A 58 -5.170 11.000 -1.153 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -5.145 10.791 -2.700 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -6.634 11.001 -0.632 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -5.453 9.330 -3.128 1.00 -0.09 C ATOM 0 H ILE A 58 -2.640 11.244 -1.241 1.00 -0.46 H new ATOM 0 HA ILE A 58 -4.796 13.074 -1.424 1.00 0.04 H new ATOM 0 HB ILE A 58 -4.652 10.168 -0.676 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -5.873 11.458 -3.162 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.165 11.075 -3.082 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -7.127 10.076 -0.930 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -6.633 11.077 0.455 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -7.170 11.851 -1.055 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -5.419 9.255 -4.215 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.711 8.660 -2.695 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -6.445 9.049 -2.775 1.00 -0.09 H new ATOM 826 N HIS A 59 -5.653 13.596 0.968 1.00 -0.46 N ATOM 827 CA HIS A 59 -5.866 14.097 2.332 1.00 0.04 C ATOM 828 C HIS A 59 -7.338 13.994 2.680 1.00 0.62 C ATOM 829 O HIS A 59 -7.979 14.999 2.945 1.00 -0.50 O ATOM 830 CB HIS A 59 -5.330 15.551 2.386 1.00 -0.10 C ATOM 831 CG HIS A 59 -5.448 16.209 3.739 1.00 0.06 C ATOM 832 ND1 HIS A 59 -5.163 17.458 3.966 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -5.839 15.693 4.909 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -5.351 17.779 5.211 1.00 0.11 C ATOM 835 NE2 HIS A 59 -5.765 16.675 5.760 1.00 -0.06 N ATOM 0 H HIS A 59 -6.308 13.960 0.276 1.00 -0.46 H new ATOM 0 HA HIS A 59 -5.329 13.506 3.074 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -4.282 15.550 2.086 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -5.871 16.152 1.655 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 -6.150 14.678 5.106 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -5.199 18.739 5.681 1.00 0.11 H new ATOM 0 HE2 HIS A 59 -6.005 16.588 6.748 1.00 -0.06 H new ATOM 844 N ASN A 60 -7.863 12.749 2.674 1.00 -0.46 N ATOM 845 CA ASN A 60 -9.293 12.495 2.887 1.00 0.04 C ATOM 846 C ASN A 60 -9.477 10.989 2.828 1.00 0.62 C ATOM 847 O ASN A 60 -10.082 10.489 1.893 1.00 -0.50 O ATOM 848 CB ASN A 60 -10.144 13.183 1.782 1.00 -0.09 C ATOM 849 CG ASN A 60 -11.621 12.905 1.930 1.00 0.68 C ATOM 850 OD1 ASN A 60 -12.041 12.364 2.940 1.00 -0.47 O ATOM 851 ND2 ASN A 60 -12.448 13.278 0.933 1.00 -0.87 N ATOM 0 H ASN A 60 -7.310 11.905 2.523 1.00 -0.46 H new ATOM 0 HA ASN A 60 -9.621 12.898 3.845 1.00 0.04 H new ATOM 0 HB2 ASN A 60 -9.975 14.259 1.816 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 -9.809 12.839 0.803 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 -13.451 13.110 1.012 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 -12.071 13.729 0.099 1.00 -0.87 H new ATOM 858 N LEU A 61 -8.889 10.254 3.800 1.00 -0.46 N ATOM 859 CA LEU A 61 -8.657 8.821 3.606 1.00 0.04 C ATOM 860 C LEU A 61 -8.677 8.105 4.937 1.00 0.62 C ATOM 861 O LEU A 61 -8.076 8.613 5.871 1.00 -0.50 O ATOM 862 CB LEU A 61 -7.283 8.774 2.880 1.00 -0.06 C ATOM 863 CG LEU A 61 -6.718 7.369 2.528 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -5.555 7.532 1.508 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -6.219 6.591 3.779 1.00 -0.11 C ATOM 0 H LEU A 61 -8.578 10.624 4.698 1.00 -0.46 H new ATOM 0 HA LEU A 61 -9.422 8.311 3.020 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -7.368 9.346 1.956 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -6.552 9.286 3.505 1.00 -0.06 H new ATOM 0 HG LEU A 61 -7.530 6.784 2.096 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -5.152 6.551 1.255 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -5.928 8.015 0.605 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -4.768 8.145 1.948 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -5.836 5.618 3.473 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -5.425 7.157 4.267 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -7.046 6.453 4.475 1.00 -0.11 H new ATOM 877 N ASN A 62 -9.356 6.940 5.066 1.00 -0.46 N ATOM 878 CA ASN A 62 -9.458 6.284 6.370 1.00 0.04 C ATOM 879 C ASN A 62 -8.191 5.502 6.666 1.00 0.62 C ATOM 880 O ASN A 62 -8.189 4.284 6.581 1.00 -0.50 O ATOM 881 CB ASN A 62 -10.735 5.402 6.414 1.00 -0.09 C ATOM 882 CG ASN A 62 -10.974 4.953 7.834 1.00 0.68 C ATOM 883 OD1 ASN A 62 -10.536 3.878 8.202 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -11.650 5.760 8.676 1.00 -0.87 N ATOM 0 H ASN A 62 -9.825 6.455 4.301 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.554 7.032 7.157 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -11.594 5.965 6.048 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -10.618 4.537 5.761 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -11.803 5.474 9.643 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -12.008 6.656 8.346 1.00 -0.87 H new ATOM 891 N GLU A 63 -7.089 6.206 7.018 1.00 -0.46 N ATOM 892 CA GLU A 63 -5.813 5.532 7.286 1.00 0.04 C ATOM 893 C GLU A 63 -5.987 4.267 8.100 1.00 0.62 C ATOM 894 O GLU A 63 -5.426 3.243 7.742 1.00 -0.50 O ATOM 895 CB GLU A 63 -4.841 6.510 8.008 1.00 -0.18 C ATOM 896 CG GLU A 63 -3.466 5.870 8.357 1.00 -0.40 C ATOM 897 CD GLU A 63 -3.491 5.081 9.642 1.00 0.71 C ATOM 898 OE1 GLU A 63 -3.643 5.704 10.730 1.00 -0.72 O ATOM 899 OE2 GLU A 63 -3.346 3.834 9.584 1.00 -0.72 O ATOM 0 H GLU A 63 -7.064 7.221 7.120 1.00 -0.46 H new ATOM 0 HA GLU A 63 -5.391 5.236 6.326 1.00 0.04 H new ATOM 0 HB2 GLU A 63 -4.677 7.382 7.374 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 -5.311 6.866 8.925 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 -3.159 5.215 7.541 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 -2.715 6.656 8.435 1.00 -0.40 H new ATOM 906 N ASP A 64 -6.767 4.303 9.201 1.00 -0.46 N ATOM 907 CA ASP A 64 -6.878 3.107 10.032 1.00 0.04 C ATOM 908 C ASP A 64 -7.394 1.918 9.247 1.00 0.62 C ATOM 909 O ASP A 64 -6.776 0.864 9.288 1.00 -0.50 O ATOM 910 CB ASP A 64 -7.777 3.351 11.271 1.00 -0.40 C ATOM 911 CG ASP A 64 -7.737 2.131 12.152 1.00 0.71 C ATOM 912 OD1 ASP A 64 -6.685 1.932 12.822 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -8.738 1.367 12.170 1.00 -0.72 O ATOM 0 H ASP A 64 -7.303 5.111 9.517 1.00 -0.46 H new ATOM 0 HA ASP A 64 -5.869 2.878 10.376 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -7.430 4.225 11.822 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -8.801 3.557 10.959 1.00 -0.40 H new ATOM 918 N ASN A 65 -8.528 2.033 8.517 1.00 -0.46 N ATOM 919 CA ASN A 65 -9.028 0.856 7.807 1.00 0.04 C ATOM 920 C ASN A 65 -8.010 0.453 6.760 1.00 0.62 C ATOM 921 O ASN A 65 -7.771 -0.734 6.599 1.00 -0.50 O ATOM 922 CB ASN A 65 -10.478 0.986 7.258 1.00 -0.09 C ATOM 923 CG ASN A 65 -10.605 1.663 5.917 1.00 0.68 C ATOM 924 OD1 ASN A 65 -9.646 2.207 5.399 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -11.804 1.632 5.304 1.00 -0.87 N ATOM 0 H ASN A 65 -9.081 2.884 8.412 1.00 -0.46 H new ATOM 0 HA ASN A 65 -9.134 0.049 8.532 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -10.911 -0.012 7.184 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -11.074 1.540 7.983 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -11.921 2.069 4.390 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -12.595 1.172 5.754 1.00 -0.87 H new ATOM 932 N ALA A 66 -7.357 1.411 6.062 1.00 -0.46 N ATOM 933 CA ALA A 66 -6.291 1.043 5.127 1.00 0.04 C ATOM 934 C ALA A 66 -5.274 0.173 5.840 1.00 0.62 C ATOM 935 O ALA A 66 -4.938 -0.895 5.353 1.00 -0.50 O ATOM 936 CB ALA A 66 -5.586 2.300 4.551 1.00 -0.10 C ATOM 0 H ALA A 66 -7.547 2.411 6.130 1.00 -0.46 H new ATOM 0 HA ALA A 66 -6.738 0.495 4.298 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -4.800 1.992 3.861 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -6.314 2.915 4.022 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -5.148 2.877 5.366 1.00 -0.10 H new ATOM 942 N ARG A 67 -4.799 0.623 7.022 1.00 -0.46 N ATOM 943 CA ARG A 67 -3.859 -0.169 7.827 1.00 0.04 C ATOM 944 C ARG A 67 -4.445 -1.491 8.283 1.00 0.62 C ATOM 945 O ARG A 67 -3.671 -2.383 8.594 1.00 -0.50 O ATOM 946 CB ARG A 67 -3.405 0.708 9.028 1.00 -0.08 C ATOM 947 CG ARG A 67 -2.505 0.003 10.080 1.00 -0.10 C ATOM 948 CD ARG A 67 -2.009 1.055 11.118 1.00 -0.23 C ATOM 949 NE ARG A 67 -3.152 1.668 11.817 1.00 -0.32 N ATOM 950 CZ ARG A 67 -3.228 2.926 12.207 1.00 0.76 C ATOM 951 NH1 ARG A 67 -2.245 3.788 12.113 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -4.353 3.353 12.730 1.00 -0.62 N ATOM 0 H ARG A 67 -5.051 1.522 7.432 1.00 -0.46 H new ATOM 0 HA ARG A 67 -3.000 -0.439 7.213 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -2.867 1.573 8.639 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -4.294 1.086 9.533 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -3.063 -0.787 10.583 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -1.655 -0.471 9.590 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -1.347 0.578 11.840 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -1.427 1.826 10.613 1.00 -0.23 H new ATOM 0 HE ARG A 67 -3.953 1.069 12.016 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -1.350 3.500 11.717 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -2.375 4.747 12.435 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 -5.144 2.717 12.827 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 -4.436 4.321 13.039 1.00 -0.62 H new ATOM 966 N SER A 68 -5.787 -1.657 8.324 1.00 -0.46 N ATOM 967 CA SER A 68 -6.391 -2.964 8.606 1.00 0.04 C ATOM 968 C SER A 68 -6.583 -3.833 7.376 1.00 0.62 C ATOM 969 O SER A 68 -6.984 -4.971 7.560 1.00 -0.50 O ATOM 970 CB SER A 68 -7.766 -2.771 9.299 1.00 0.02 C ATOM 971 OG SER A 68 -8.281 -4.041 9.740 1.00 -0.55 O ATOM 0 H SER A 68 -6.459 -0.906 8.166 1.00 -0.46 H new ATOM 0 HA SER A 68 -5.687 -3.483 9.257 1.00 0.04 H new ATOM 0 HB2 SER A 68 -7.662 -2.097 10.149 1.00 0.02 H new ATOM 0 HB3 SER A 68 -8.468 -2.305 8.607 1.00 0.02 H new ATOM 0 HG SER A 68 -8.004 -4.742 9.113 1.00 -0.55 H new ATOM 977 N ILE A 69 -6.332 -3.395 6.117 1.00 -0.46 N ATOM 978 CA ILE A 69 -6.485 -4.322 4.986 1.00 0.04 C ATOM 979 C ILE A 69 -5.459 -5.446 5.043 1.00 0.62 C ATOM 980 O ILE A 69 -5.872 -6.583 4.871 1.00 -0.50 O ATOM 981 CB ILE A 69 -6.534 -3.687 3.558 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -7.690 -2.647 3.434 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -6.659 -4.792 2.466 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -7.641 -1.840 2.108 1.00 -0.09 C ATOM 0 H ILE A 69 -6.037 -2.450 5.873 1.00 -0.46 H new ATOM 0 HA ILE A 69 -7.488 -4.723 5.129 1.00 0.04 H new ATOM 0 HB ILE A 69 -5.596 -3.155 3.400 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -8.646 -3.165 3.502 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -7.641 -1.956 4.275 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -6.691 -4.328 1.480 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -5.800 -5.460 2.524 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -7.574 -5.362 2.629 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -8.471 -1.133 2.081 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -6.699 -1.296 2.048 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -7.719 -2.524 1.263 1.00 -0.09 H new ATOM 996 N PRO A 70 -4.134 -5.237 5.260 1.00 -0.23 N ATOM 997 CA PRO A 70 -3.185 -6.345 5.197 1.00 0.04 C ATOM 998 C PRO A 70 -3.557 -7.651 5.882 1.00 0.53 C ATOM 999 O PRO A 70 -3.469 -8.660 5.196 1.00 -0.50 O ATOM 1000 CB PRO A 70 -1.909 -5.670 5.758 1.00 -0.12 C ATOM 1001 CG PRO A 70 -2.079 -4.178 5.410 1.00 -0.12 C ATOM 1002 CD PRO A 70 -3.591 -3.918 5.544 1.00 -0.01 C ATOM 0 HA PRO A 70 -3.102 -6.742 4.185 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -1.821 -5.819 6.834 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -1.008 -6.084 5.304 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.506 -3.545 6.088 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.728 -3.964 4.401 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -3.861 -3.568 6.540 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -3.943 -3.167 4.836 1.00 -0.01 H new ATOM 1010 N PRO A 71 -3.983 -7.758 7.171 1.00 -0.23 N ATOM 1011 CA PRO A 71 -4.350 -9.067 7.700 1.00 0.04 C ATOM 1012 C PRO A 71 -5.576 -9.640 7.023 1.00 0.53 C ATOM 1013 O PRO A 71 -5.757 -10.845 7.101 1.00 -0.50 O ATOM 1014 CB PRO A 71 -4.658 -8.701 9.174 1.00 -0.12 C ATOM 1015 CG PRO A 71 -5.124 -7.230 9.090 1.00 -0.12 C ATOM 1016 CD PRO A 71 -4.127 -6.624 8.076 1.00 -0.01 C ATOM 0 HA PRO A 71 -3.585 -9.830 7.557 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -5.432 -9.344 9.594 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -3.777 -8.808 9.807 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -6.155 -7.149 8.744 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -5.073 -6.732 10.058 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -4.522 -5.739 7.578 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -3.183 -6.335 8.538 1.00 -0.01 H new ATOM 1024 N LYS A 72 -6.428 -8.835 6.344 1.00 -0.46 N ATOM 1025 CA LYS A 72 -7.603 -9.407 5.680 1.00 0.04 C ATOM 1026 C LYS A 72 -7.136 -10.471 4.710 1.00 0.62 C ATOM 1027 O LYS A 72 -7.864 -11.425 4.485 1.00 -0.50 O ATOM 1028 CB LYS A 72 -8.477 -8.376 4.905 1.00 -0.10 C ATOM 1029 CG LYS A 72 -8.995 -7.178 5.756 1.00 -0.16 C ATOM 1030 CD LYS A 72 -10.094 -7.523 6.797 1.00 -0.18 C ATOM 1031 CE LYS A 72 -10.279 -6.378 7.838 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -10.473 -5.042 7.226 1.00 -0.14 N ATOM 0 H LYS A 72 -6.323 -7.825 6.248 1.00 -0.46 H new ATOM 0 HA LYS A 72 -8.236 -9.810 6.470 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -7.895 -7.984 4.070 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -9.335 -8.897 4.479 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -8.149 -6.735 6.281 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -9.385 -6.417 5.080 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -11.038 -7.704 6.283 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -9.830 -8.446 7.314 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -11.138 -6.607 8.468 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -9.405 -6.346 8.489 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -9.654 -4.439 7.442 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -10.566 -5.143 6.195 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -11.335 -4.606 7.611 1.00 -0.14 H new ATOM 1046 N CYS A 73 -5.921 -10.332 4.127 1.00 -0.46 N ATOM 1047 CA CYS A 73 -5.353 -11.406 3.316 1.00 0.04 C ATOM 1048 C CYS A 73 -3.907 -11.660 3.707 1.00 0.62 C ATOM 1049 O CYS A 73 -3.036 -11.722 2.855 1.00 -0.50 O ATOM 1050 CB CYS A 73 -5.664 -11.110 1.825 1.00 -0.10 C ATOM 1051 SG CYS A 73 -7.426 -11.529 1.540 1.00 0.82 S ATOM 0 H CYS A 73 -5.335 -9.501 4.207 1.00 -0.46 H new ATOM 0 HA CYS A 73 -5.816 -12.375 3.505 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -5.477 -10.061 1.595 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -5.019 -11.700 1.174 1.00 -0.10 H new ATOM 1056 N GLY A 74 -3.679 -11.861 5.027 1.00 -0.46 N ATOM 1057 CA GLY A 74 -2.444 -12.487 5.506 1.00 0.04 C ATOM 1058 C GLY A 74 -1.116 -11.811 5.249 1.00 0.62 C ATOM 1059 O GLY A 74 -0.157 -12.539 5.049 1.00 -0.50 O ATOM 0 H GLY A 74 -4.333 -11.598 5.765 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -2.541 -12.617 6.584 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -2.393 -13.484 5.068 1.00 0.04 H new ATOM 1063 N VAL A 75 -0.994 -10.464 5.296 1.00 -0.46 N ATOM 1064 CA VAL A 75 0.334 -9.835 5.205 1.00 0.04 C ATOM 1065 C VAL A 75 0.380 -8.581 6.061 1.00 0.62 C ATOM 1066 O VAL A 75 -0.657 -8.217 6.591 1.00 -0.50 O ATOM 1067 CB VAL A 75 0.732 -9.529 3.728 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 0.619 -10.764 2.793 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -0.114 -8.363 3.162 1.00 -0.09 C ATOM 0 H VAL A 75 -1.774 -9.814 5.393 1.00 -0.46 H new ATOM 0 HA VAL A 75 1.069 -10.543 5.588 1.00 0.04 H new ATOM 0 HB VAL A 75 1.783 -9.243 3.753 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 0.910 -10.482 1.781 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 1.277 -11.554 3.153 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -0.410 -11.123 2.788 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 0.180 -8.167 2.131 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -1.170 -8.631 3.193 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 0.051 -7.469 3.763 1.00 -0.09 H new ATOM 1079 N ASN A 76 1.551 -7.910 6.211 1.00 -0.46 N ATOM 1080 CA ASN A 76 1.633 -6.674 7.001 1.00 0.04 C ATOM 1081 C ASN A 76 2.584 -5.685 6.348 1.00 0.62 C ATOM 1082 O ASN A 76 3.439 -5.140 7.026 1.00 -0.50 O ATOM 1083 CB ASN A 76 2.052 -7.039 8.448 1.00 -0.09 C ATOM 1084 CG ASN A 76 1.037 -7.982 9.049 1.00 0.68 C ATOM 1085 OD1 ASN A 76 0.121 -7.522 9.710 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 1.156 -9.309 8.835 1.00 -0.87 N ATOM 0 H ASN A 76 2.435 -8.206 5.798 1.00 -0.46 H new ATOM 0 HA ASN A 76 0.661 -6.182 7.040 1.00 0.04 H new ATOM 0 HB2 ASN A 76 3.038 -7.504 8.445 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 2.127 -6.136 9.054 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 0.470 -9.953 9.230 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 1.932 -9.668 8.278 1.00 -0.87 H new ATOM 1093 N LEU A 77 2.439 -5.476 5.016 1.00 -0.46 N ATOM 1094 CA LEU A 77 3.410 -4.700 4.225 1.00 0.04 C ATOM 1095 C LEU A 77 4.797 -5.312 4.353 1.00 0.62 C ATOM 1096 O LEU A 77 4.970 -6.134 5.239 1.00 -0.50 O ATOM 1097 CB LEU A 77 3.428 -3.185 4.584 1.00 -0.06 C ATOM 1098 CG LEU A 77 2.216 -2.347 4.076 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 2.189 -2.167 2.532 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 0.864 -2.894 4.589 1.00 -0.11 C ATOM 0 H LEU A 77 1.656 -5.837 4.472 1.00 -0.46 H new ATOM 0 HA LEU A 77 3.087 -4.754 3.185 1.00 0.04 H new ATOM 0 HB2 LEU A 77 3.481 -3.090 5.669 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 4.341 -2.747 4.181 1.00 -0.06 H new ATOM 0 HG LEU A 77 2.362 -1.356 4.505 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 1.319 -1.574 2.250 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 3.096 -1.656 2.209 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 2.133 -3.144 2.053 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 0.052 -2.275 4.207 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 0.732 -3.919 4.244 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 0.853 -2.874 5.679 1.00 -0.11 H new ATOM 1112 N PRO A 78 5.846 -5.016 3.541 1.00 -0.23 N ATOM 1113 CA PRO A 78 7.168 -5.519 3.893 1.00 0.04 C ATOM 1114 C PRO A 78 7.724 -4.801 5.111 1.00 0.53 C ATOM 1115 O PRO A 78 8.652 -5.333 5.701 1.00 -0.50 O ATOM 1116 CB PRO A 78 7.946 -5.277 2.578 1.00 -0.12 C ATOM 1117 CG PRO A 78 6.871 -4.886 1.534 1.00 -0.12 C ATOM 1118 CD PRO A 78 5.746 -4.199 2.338 1.00 -0.01 C ATOM 0 HA PRO A 78 7.209 -6.563 4.204 1.00 0.04 H new ATOM 0 HB2 PRO A 78 8.685 -4.484 2.698 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 8.486 -6.172 2.270 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 7.282 -4.214 0.781 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 6.497 -5.764 1.008 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 5.937 -3.142 2.522 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 4.772 -4.268 1.854 1.00 -0.01 H new ATOM 1126 N TYR A 79 7.184 -3.620 5.510 1.00 -0.46 N ATOM 1127 CA TYR A 79 7.615 -2.922 6.729 1.00 0.04 C ATOM 1128 C TYR A 79 6.391 -2.607 7.574 1.00 0.62 C ATOM 1129 O TYR A 79 6.195 -3.268 8.582 1.00 -0.50 O ATOM 1130 CB TYR A 79 8.436 -1.624 6.432 1.00 -0.10 C ATOM 1131 CG TYR A 79 8.226 -1.168 4.982 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 8.788 -1.964 3.982 1.00 0.00 C ATOM 1133 CD2 TYR A 79 7.502 -0.023 4.622 1.00 0.00 C ATOM 1134 CE1 TYR A 79 8.500 -1.713 2.643 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 7.232 0.241 3.274 1.00 -0.26 C ATOM 1136 CZ TYR A 79 7.726 -0.610 2.282 1.00 0.46 C ATOM 1137 OH TYR A 79 7.452 -0.360 0.942 1.00 -0.53 O ATOM 0 H TYR A 79 6.447 -3.137 4.996 1.00 -0.46 H new ATOM 0 HA TYR A 79 8.289 -3.583 7.274 1.00 0.04 H new ATOM 0 HB2 TYR A 79 8.132 -0.831 7.115 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 9.495 -1.809 6.610 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 9.448 -2.777 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.152 0.656 5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.878 -2.376 1.879 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 6.642 1.103 3.001 1.00 -0.26 H new ATOM 0 HH TYR A 79 7.428 -1.207 0.449 1.00 -0.53 H new ATOM 1147 N THR A 80 5.566 -1.597 7.202 1.00 -0.46 N ATOM 1148 CA THR A 80 4.478 -1.150 8.079 1.00 0.04 C ATOM 1149 C THR A 80 3.337 -0.556 7.270 1.00 0.62 C ATOM 1150 O THR A 80 2.348 -1.249 7.096 1.00 -0.50 O ATOM 1151 CB THR A 80 4.994 -0.095 9.100 1.00 0.17 C ATOM 1152 OG1 THR A 80 5.568 0.997 8.357 1.00 -0.55 O ATOM 1153 CG2 THR A 80 6.056 -0.668 10.077 1.00 -0.19 C ATOM 0 H THR A 80 5.637 -1.092 6.319 1.00 -0.46 H new ATOM 0 HA THR A 80 4.110 -2.022 8.620 1.00 0.04 H new ATOM 0 HB THR A 80 4.151 0.229 9.710 1.00 0.17 H new ATOM 0 HG1 THR A 80 5.900 1.678 8.979 1.00 -0.55 H new ATOM 0 HG21 THR A 80 6.378 0.114 10.764 1.00 -0.19 H new ATOM 0 HG22 THR A 80 5.622 -1.493 10.643 1.00 -0.19 H new ATOM 0 HG23 THR A 80 6.915 -1.029 9.510 1.00 -0.19 H new ATOM 1161 N ILE A 81 3.468 0.706 6.788 1.00 -0.46 N ATOM 1162 CA ILE A 81 2.437 1.380 5.979 1.00 0.04 C ATOM 1163 C ILE A 81 2.805 2.856 5.908 1.00 0.62 C ATOM 1164 O ILE A 81 2.507 3.600 6.828 1.00 -0.50 O ATOM 1165 CB ILE A 81 0.951 1.165 6.418 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -0.057 2.022 5.595 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 0.739 1.411 7.940 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 0.054 1.818 4.058 1.00 -0.09 C ATOM 0 H ILE A 81 4.295 1.280 6.953 1.00 -0.46 H new ATOM 0 HA ILE A 81 2.448 0.910 4.996 1.00 0.04 H new ATOM 0 HB ILE A 81 0.744 0.116 6.208 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.071 1.778 5.912 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 0.104 3.075 5.825 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -0.309 1.249 8.192 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 1.361 0.721 8.510 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 1.016 2.436 8.185 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -0.679 2.448 3.554 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 1.056 2.090 3.726 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -0.137 0.773 3.815 1.00 -0.09 H new ATOM 1180 N SER A 82 3.493 3.330 4.844 1.00 -0.46 N ATOM 1181 CA SER A 82 4.136 4.648 4.908 1.00 0.04 C ATOM 1182 C SER A 82 3.254 5.886 4.899 1.00 0.62 C ATOM 1183 O SER A 82 3.729 6.895 4.403 1.00 -0.50 O ATOM 1184 CB SER A 82 5.215 4.725 3.792 1.00 0.02 C ATOM 1185 OG SER A 82 6.104 3.604 3.943 1.00 -0.55 O ATOM 0 H SER A 82 3.611 2.833 3.961 1.00 -0.46 H new ATOM 0 HA SER A 82 4.560 4.692 5.911 1.00 0.04 H new ATOM 0 HB2 SER A 82 4.746 4.707 2.808 1.00 0.02 H new ATOM 0 HB3 SER A 82 5.769 5.661 3.864 1.00 0.02 H new ATOM 0 HG SER A 82 6.968 3.915 4.285 1.00 -0.55 H new ATOM 1191 N LEU A 83 2.009 5.915 5.433 1.00 -0.46 N ATOM 1192 CA LEU A 83 1.302 7.197 5.516 1.00 0.04 C ATOM 1193 C LEU A 83 1.922 7.964 6.666 1.00 0.62 C ATOM 1194 O LEU A 83 2.413 9.063 6.459 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.241 7.160 5.747 1.00 -0.06 C ATOM 1196 CG LEU A 83 -1.094 6.792 4.494 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -1.105 5.261 4.246 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 -2.557 7.284 4.674 1.00 -0.11 C ATOM 0 H LEU A 83 1.502 5.106 5.793 1.00 -0.46 H new ATOM 0 HA LEU A 83 1.415 7.651 4.531 1.00 0.04 H new ATOM 0 HB2 LEU A 83 -0.456 6.440 6.537 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 -0.561 8.137 6.110 1.00 -0.06 H new ATOM 0 HG LEU A 83 -0.639 7.284 3.634 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -1.708 5.039 3.366 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -0.085 4.911 4.085 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 -1.529 4.755 5.113 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 -3.141 7.020 3.792 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 -2.994 6.811 5.553 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 -2.564 8.366 4.803 1.00 -0.11 H new ATOM 1210 N ASN A 84 1.896 7.384 7.889 1.00 -0.46 N ATOM 1211 CA ASN A 84 2.370 8.099 9.076 1.00 0.04 C ATOM 1212 C ASN A 84 3.769 7.689 9.493 1.00 0.62 C ATOM 1213 O ASN A 84 4.075 7.848 10.663 1.00 -0.50 O ATOM 1214 CB ASN A 84 1.351 7.854 10.225 1.00 -0.09 C ATOM 1215 CG ASN A 84 -0.069 8.191 9.834 1.00 0.68 C ATOM 1216 OD1 ASN A 84 -0.301 8.731 8.765 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 -1.056 7.882 10.699 1.00 -0.87 N ATOM 0 H ASN A 84 1.556 6.439 8.069 1.00 -0.46 H new ATOM 0 HA ASN A 84 2.435 9.161 8.840 1.00 0.04 H new ATOM 0 HB2 ASN A 84 1.400 6.809 10.530 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 1.636 8.453 11.090 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 -2.025 8.100 10.466 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 -0.834 7.431 11.586 1.00 -0.87 H new ATOM 1224 N ILE A 85 4.631 7.169 8.581 1.00 -0.46 N ATOM 1225 CA ILE A 85 5.998 6.798 8.961 1.00 0.04 C ATOM 1226 C ILE A 85 6.969 7.454 7.988 1.00 0.62 C ATOM 1227 O ILE A 85 7.421 8.551 8.275 1.00 -0.50 O ATOM 1228 CB ILE A 85 6.177 5.255 9.163 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 5.224 4.676 10.259 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 7.658 4.940 9.526 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 3.826 4.265 9.716 1.00 -0.09 C ATOM 0 H ILE A 85 4.401 7.004 7.601 1.00 -0.46 H new ATOM 0 HA ILE A 85 6.231 7.187 9.952 1.00 0.04 H new ATOM 0 HB ILE A 85 5.911 4.773 8.222 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 5.696 3.807 10.717 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 5.095 5.420 11.045 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 7.778 3.866 9.666 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 8.310 5.276 8.719 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 7.925 5.458 10.447 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 3.220 3.872 10.532 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 3.333 5.136 9.284 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 3.944 3.498 8.950 1.00 -0.09 H new ATOM 1243 N ASP A 86 7.304 6.828 6.836 1.00 -0.46 N ATOM 1244 CA ASP A 86 8.284 7.398 5.905 1.00 0.04 C ATOM 1245 C ASP A 86 8.395 6.482 4.704 1.00 0.62 C ATOM 1246 O ASP A 86 7.984 5.341 4.840 1.00 -0.50 O ATOM 1247 CB ASP A 86 9.692 7.501 6.558 1.00 -0.40 C ATOM 1248 CG ASP A 86 10.750 7.913 5.569 1.00 0.71 C ATOM 1249 OD1 ASP A 86 10.441 8.744 4.673 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 11.896 7.390 5.646 1.00 -0.72 O ATOM 0 H ASP A 86 6.910 5.936 6.538 1.00 -0.46 H new ATOM 0 HA ASP A 86 7.950 8.397 5.623 1.00 0.04 H new ATOM 0 HB2 ASP A 86 9.660 8.222 7.374 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 9.960 6.538 6.994 1.00 -0.40 H new ATOM 1255 N CYS A 87 8.938 6.907 3.539 1.00 -0.46 N ATOM 1256 CA CYS A 87 9.033 5.981 2.407 1.00 0.04 C ATOM 1257 C CYS A 87 9.607 4.648 2.870 1.00 0.62 C ATOM 1258 O CYS A 87 9.219 3.632 2.321 1.00 -0.50 O ATOM 1259 CB CYS A 87 9.822 6.564 1.197 1.00 -0.10 C ATOM 1260 SG CYS A 87 9.223 6.035 -0.448 1.00 0.82 S ATOM 0 H CYS A 87 9.300 7.845 3.369 1.00 -0.46 H new ATOM 0 HA CYS A 87 8.021 5.819 2.037 1.00 0.04 H new ATOM 0 HB2 CYS A 87 9.783 7.652 1.248 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 10.869 6.278 1.294 1.00 -0.10 H new ATOM 1265 N SER A 88 10.506 4.614 3.886 1.00 -0.46 N ATOM 1266 CA SER A 88 10.918 3.342 4.493 1.00 0.04 C ATOM 1267 C SER A 88 11.571 2.402 3.501 1.00 0.62 C ATOM 1268 O SER A 88 10.909 1.512 2.988 1.00 -0.50 O ATOM 1269 CB SER A 88 9.715 2.661 5.201 1.00 0.02 C ATOM 1270 OG SER A 88 10.113 1.411 5.797 1.00 -0.55 O ATOM 0 H SER A 88 10.947 5.441 4.289 1.00 -0.46 H new ATOM 0 HA SER A 88 11.678 3.577 5.239 1.00 0.04 H new ATOM 0 HB2 SER A 88 9.316 3.324 5.968 1.00 0.02 H new ATOM 0 HB3 SER A 88 8.915 2.488 4.482 1.00 0.02 H new ATOM 0 HG SER A 88 9.472 0.712 5.550 1.00 -0.55 H new ATOM 1276 N ARG A 89 12.887 2.569 3.232 1.00 -0.46 N ATOM 1277 CA ARG A 89 13.579 1.691 2.286 1.00 0.04 C ATOM 1278 C ARG A 89 14.255 0.542 3.011 1.00 0.62 C ATOM 1279 O ARG A 89 14.160 -0.585 2.555 1.00 -0.50 O ATOM 1280 CB ARG A 89 14.686 2.445 1.497 1.00 -0.08 C ATOM 1281 CG ARG A 89 14.190 3.653 0.645 1.00 -0.10 C ATOM 1282 CD ARG A 89 13.712 4.908 1.437 1.00 -0.23 C ATOM 1283 NE ARG A 89 14.736 5.401 2.371 1.00 -0.32 N ATOM 1284 CZ ARG A 89 14.501 6.223 3.373 1.00 0.76 C ATOM 1285 NH1 ARG A 89 13.333 6.771 3.587 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 15.475 6.516 4.201 1.00 -0.62 N ATOM 0 H ARG A 89 13.473 3.291 3.652 1.00 -0.46 H new ATOM 0 HA ARG A 89 12.815 1.326 1.599 1.00 0.04 H new ATOM 0 HB2 ARG A 89 15.434 2.803 2.205 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 15.186 1.736 0.837 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 14.998 3.956 -0.021 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 13.368 3.313 0.015 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 13.451 5.700 0.735 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 12.806 4.662 1.991 1.00 -0.23 H new ATOM 0 HE ARG A 89 15.696 5.084 2.233 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 12.552 6.568 2.963 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 13.203 7.402 4.378 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 16.400 6.109 4.065 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 15.307 7.151 4.981 1.00 -0.62 H new ATOM 1300 N VAL A 90 14.967 0.806 4.132 1.00 -0.46 N ATOM 1301 CA VAL A 90 15.717 -0.253 4.814 1.00 0.04 C ATOM 1302 C VAL A 90 14.775 -1.061 5.675 1.00 0.62 C ATOM 1303 O VAL A 90 13.669 -0.643 5.987 1.00 -0.50 O ATOM 1304 CB VAL A 90 16.905 0.353 5.625 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 17.703 -0.726 6.410 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 17.870 1.124 4.678 1.00 -0.09 C ATOM 1307 OXT VAL A 90 15.222 -2.265 6.049 1.00 0.00 O ATOM 0 H VAL A 90 15.032 1.725 4.569 1.00 -0.46 H new ATOM 0 HA VAL A 90 16.156 -0.929 4.081 1.00 0.04 H new ATOM 0 HB VAL A 90 16.470 1.038 6.353 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 18.518 -0.250 6.956 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 17.040 -1.229 7.113 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 18.112 -1.456 5.711 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 18.693 1.541 5.258 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 18.265 0.441 3.926 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 17.328 1.931 4.185 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 -0.910 -4.332 0.948 1.00 -0.12 C HETATM 1320 C2 E2P A 91 -2.374 -4.127 1.428 1.00 -0.07 C HETATM 1321 C3 E2P A 91 -3.353 -3.729 0.284 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -3.267 -2.225 -0.094 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -3.871 -1.289 1.003 1.00 -0.06 C HETATM 1324 C6 E2P A 91 -2.944 -0.193 1.599 1.00 0.16 C HETATM 1325 O6 E2P A 91 -1.814 -0.726 2.314 1.00 -0.46 O HETATM 1326 C7 E2P A 91 -2.578 0.882 0.600 1.00 0.02 C HETATM 1327 C8 E2P A 91 -1.567 0.750 -0.266 1.00 -0.14 C HETATM 1328 C9 E2P A 91 -1.104 1.767 -1.223 1.00 0.02 C HETATM 1329 C10 E2P A 91 -1.954 2.922 -1.692 1.00 -0.01 C HETATM 1330 C11 E2P A 91 -1.041 3.711 -2.675 1.00 -0.02 C HETATM 1331 C12 E2P A 91 0.211 2.884 -2.676 1.00 0.21 C HETATM 1332 O12 E2P A 91 1.185 3.116 -3.374 1.00 -0.34 O HETATM 1333 C13 E2P A 91 0.124 1.757 -1.750 1.00 -0.11 C HETATM 1334 C14 E2P A 91 1.230 0.775 -1.445 1.00 0.04 C HETATM 1335 C15 E2P A 91 1.583 0.863 0.034 1.00 -0.12 C HETATM 1336 C16 E2P A 91 2.789 1.022 0.597 1.00 -0.11 C HETATM 1337 C17 E2P A 91 4.091 1.123 -0.139 1.00 -0.01 C HETATM 1338 C18 E2P A 91 4.707 -0.284 -0.196 1.00 -0.07 C HETATM 1339 C19 E2P A 91 3.779 -1.352 -0.836 1.00 -0.01 C HETATM 1340 C20 E2P A 91 4.466 -2.678 -0.694 1.00 0.35 C HETATM 1341 O21 E2P A 91 3.735 -3.739 -1.013 1.00 -0.38 O HETATM 1342 O20 E2P A 91 5.613 -2.771 -0.292 1.00 -0.35 O HETATM 0 H192 E2P A 91 2.809 -1.366 -0.339 1.00 -0.01 H new HETATM 0 H191 E2P A 91 3.596 -1.124 -1.886 1.00 -0.01 H new HETATM 0 H182 E2P A 91 5.638 -0.240 -0.762 1.00 -0.07 H new HETATM 0 H181 E2P A 91 4.963 -0.599 0.816 1.00 -0.07 H new HETATM 0 H172 E2P A 91 3.932 1.512 -1.145 1.00 -0.01 H new HETATM 0 H171 E2P A 91 4.764 1.815 0.368 1.00 -0.01 H new HETATM 0 H142 E2P A 91 0.913 -0.237 -1.696 1.00 0.04 H new HETATM 0 H141 E2P A 91 2.107 0.995 -2.054 1.00 0.04 H new HETATM 0 H102 E2P A 91 -2.860 2.572 -2.187 1.00 -0.01 H new HETATM 0 H101 E2P A 91 -2.269 3.547 -0.856 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 -1.924 -0.557 3.273 1.00 -0.46 H new HETATM 0 H8 E2P A 91 -1.036 -0.202 -0.262 1.00 -0.14 H new HETATM 0 H79 E2P A 91 -1.481 3.785 -3.669 1.00 -0.02 H new HETATM 0 H78 E2P A 91 -0.857 4.729 -2.332 1.00 -0.02 H new HETATM 0 H7 E2P A 91 -3.162 1.802 0.585 1.00 0.02 H new HETATM 0 H6 E2P A 91 -3.541 0.313 2.358 1.00 0.16 H new HETATM 0 H52 E2P A 91 -4.746 -0.796 0.580 1.00 -0.06 H new HETATM 0 H51 E2P A 91 -4.223 -1.915 1.823 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -2.224 -1.956 -0.260 1.00 -0.07 H new HETATM 0 H41 E2P A 91 -3.793 -2.061 -1.035 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -3.137 -4.332 -0.598 1.00 -0.07 H new HETATM 0 H31 E2P A 91 -4.373 -3.963 0.588 1.00 -0.07 H new HETATM 0 H22 E2P A 91 -2.727 -5.047 1.894 1.00 -0.07 H new HETATM 0 H21 E2P A 91 -2.391 -3.353 2.196 1.00 -0.07 H new HETATM 0 H16 E2P A 91 2.826 1.083 1.685 1.00 -0.11 H new HETATM 0 H15 E2P A 91 0.744 0.787 0.726 1.00 -0.12 H new HETATM 0 H13 E2P A 91 -0.284 -4.607 1.797 1.00 -0.12 H new HETATM 0 H12 E2P A 91 -0.880 -5.126 0.202 1.00 -0.12 H new HETATM 0 H11 E2P A 91 -0.538 -3.407 0.508 1.00 -0.12 H new