USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 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 143 CYS SG : rot 6:sc= -0.545! USER MOD Set 1.2: B 473 CYS SG : rot 63:sc= 0.543 USER MOD Set 2.1: B 468 ASN : amide:sc= 2.47 K(o=4,f=-5.6) USER MOD Set 2.2: B 472 GLN : amide:sc= 1.49 K(o=4,f=-3.6!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl 161:sc= -0.0928 (180deg=-0.502) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 91 ASN : amide:sc= 0.64 K(o=0.64,f=-2.2!) USER MOD Single : A 93 LYS NZ :NH3+ -128:sc= -0.954 (180deg=-3.15!) USER MOD Single : A 94 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 98 SER OG : rot 140:sc= 0.3 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 97:sc= 1.27 USER MOD Single : A 107 ASN : amide:sc= 1.2 K(o=1.2,f=-0.064) USER MOD Single : A 109 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.268 F(o=-0.91,f=-0.27) USER MOD Single : A 114 MET CE :methyl -174:sc= -0.242 (180deg=-0.374) USER MOD Single : A 116 ASN : amide:sc= -0.0649 K(o=-0.065,f=-1.5!) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 123 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.14) USER MOD Single : A 125 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0027) USER MOD Single : A 127 MET CE :methyl -147:sc= -0.02 (180deg=-0.147) USER MOD Single : A 130 TYR OH : rot 150:sc= -0.131 USER MOD Single : A 131 MET CE :methyl 158:sc= -1.05 (180deg=-2.27!) USER MOD Single : A 132 GLN : amide:sc= 0.295 K(o=0.29,f=-0.35) USER MOD Single : A 142 CYS SG : rot 81:sc= -0.332 USER MOD Single : A 150 SER OG : rot -51:sc= 0.555 USER MOD Single : A 151 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.9) USER MOD Single : A 152 ASN : amide:sc= -0.827 K(o=-0.83,f=-6.5!) USER MOD Single : A 155 SER OG : rot -98:sc= 0.387 USER MOD Single : B 465 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-4.1!) USER MOD Single : B 476 TYR OH : rot -93:sc= 0.196 USER MOD Single : B 479 LYS NZ :NH3+ 146:sc= -1.35 (180deg=-2.42!) USER MOD Single : B 480 LYS NZ :NH3+ 176:sc= 0.178 (180deg=0.149) USER MOD Single : B 487 THR OG1 : rot -44:sc= 0.686 USER MOD Single : B 488 ASN : amide:sc= -0.791 K(o=-0.79,f=-2.4!) USER MOD Single : B 489 SER OG : rot 83:sc= 0.646 USER MOD Single : B 491 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00142) USER MOD Single : B 492 SER OG : rot 180:sc=-0.00784 USER MOD Single : B 493 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 81 0.194 -17.264 -0.364 1.00 0.00 N ATOM 2 CA GLY A 81 -0.454 -16.709 0.850 1.00 0.00 C ATOM 3 C GLY A 81 -1.569 -17.604 1.353 1.00 0.00 C ATOM 4 O GLY A 81 -2.466 -17.949 0.586 1.00 0.00 O ATOM 0 HA2 GLY A 81 0.292 -16.582 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.854 -15.720 0.628 1.00 0.00 H new ATOM 10 N PRO A 82 -1.548 -17.979 2.650 1.00 0.00 N ATOM 11 CA PRO A 82 -2.508 -18.936 3.225 1.00 0.00 C ATOM 12 C PRO A 82 -3.956 -18.560 2.931 1.00 0.00 C ATOM 13 O PRO A 82 -4.676 -19.292 2.254 1.00 0.00 O ATOM 14 CB PRO A 82 -2.235 -18.860 4.729 1.00 0.00 C ATOM 15 CG PRO A 82 -0.825 -18.396 4.838 1.00 0.00 C ATOM 16 CD PRO A 82 -0.589 -17.491 3.661 1.00 0.00 C ATOM 0 HA PRO A 82 -2.382 -19.934 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.918 -18.167 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.369 -19.831 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.661 -17.865 5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.135 -19.240 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.771 -16.447 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.439 -17.558 3.304 1.00 0.00 H new ATOM 24 N HIS A 83 -4.372 -17.406 3.424 1.00 0.00 N ATOM 25 CA HIS A 83 -5.720 -16.917 3.176 1.00 0.00 C ATOM 26 C HIS A 83 -5.699 -15.842 2.099 1.00 0.00 C ATOM 27 O HIS A 83 -6.441 -14.862 2.174 1.00 0.00 O ATOM 28 CB HIS A 83 -6.345 -16.371 4.463 1.00 0.00 C ATOM 29 CG HIS A 83 -6.665 -17.426 5.479 1.00 0.00 C ATOM 30 ND1 HIS A 83 -7.835 -18.143 5.421 1.00 0.00 N ATOM 31 CD2 HIS A 83 -5.951 -17.832 6.555 1.00 0.00 C ATOM 32 CE1 HIS A 83 -7.809 -18.962 6.458 1.00 0.00 C ATOM 33 NE2 HIS A 83 -6.687 -18.811 7.175 1.00 0.00 N ATOM 0 H HIS A 83 -3.797 -16.790 3.998 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.330 -17.751 2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.662 -15.647 4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.259 -15.834 4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.987 -17.457 6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.593 -19.665 6.697 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -6.430 -19.324 8.018 1.00 0.00 H new ATOM 41 N MET A 84 -4.830 -16.044 1.106 1.00 0.00 N ATOM 42 CA MET A 84 -4.662 -15.107 -0.007 1.00 0.00 C ATOM 43 C MET A 84 -4.339 -13.708 0.504 1.00 0.00 C ATOM 44 O MET A 84 -5.106 -12.769 0.291 1.00 0.00 O ATOM 45 CB MET A 84 -5.921 -15.060 -0.881 1.00 0.00 C ATOM 46 CG MET A 84 -6.319 -16.406 -1.461 1.00 0.00 C ATOM 47 SD MET A 84 -7.787 -16.310 -2.504 1.00 0.00 S ATOM 48 CE MET A 84 -7.174 -15.317 -3.864 1.00 0.00 C ATOM 0 H MET A 84 -4.223 -16.862 1.051 1.00 0.00 H new ATOM 0 HA MET A 84 -3.828 -15.463 -0.612 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.749 -14.672 -0.288 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.758 -14.357 -1.698 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.489 -16.805 -2.045 1.00 0.00 H new ATOM 0 HG3 MET A 84 -6.502 -17.108 -0.647 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.824 -15.445 -4.730 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.162 -14.267 -3.571 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.163 -15.634 -4.119 1.00 0.00 H new ATOM 58 N ASP A 85 -3.208 -13.561 1.179 1.00 0.00 N ATOM 59 CA ASP A 85 -2.864 -12.281 1.773 1.00 0.00 C ATOM 60 C ASP A 85 -2.090 -11.411 0.791 1.00 0.00 C ATOM 61 O ASP A 85 -2.307 -10.200 0.732 1.00 0.00 O ATOM 62 CB ASP A 85 -2.116 -12.455 3.102 1.00 0.00 C ATOM 63 CG ASP A 85 -0.727 -13.042 2.975 1.00 0.00 C ATOM 64 OD1 ASP A 85 -0.533 -13.984 2.178 1.00 0.00 O ATOM 65 OD2 ASP A 85 0.174 -12.580 3.706 1.00 0.00 O ATOM 0 H ASP A 85 -2.523 -14.302 1.327 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.794 -11.762 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.042 -11.484 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.708 -13.096 3.755 1.00 0.00 H new ATOM 70 N ARG A 86 -1.202 -12.013 0.014 1.00 0.00 N ATOM 71 CA ARG A 86 -0.596 -11.310 -1.105 1.00 0.00 C ATOM 72 C ARG A 86 -1.610 -11.198 -2.235 1.00 0.00 C ATOM 73 O ARG A 86 -2.044 -12.208 -2.792 1.00 0.00 O ATOM 74 CB ARG A 86 0.663 -12.020 -1.613 1.00 0.00 C ATOM 75 CG ARG A 86 1.886 -11.866 -0.723 1.00 0.00 C ATOM 76 CD ARG A 86 1.778 -12.675 0.554 1.00 0.00 C ATOM 77 NE ARG A 86 3.065 -12.783 1.237 1.00 0.00 N ATOM 78 CZ ARG A 86 3.295 -13.596 2.264 1.00 0.00 C ATOM 79 NH1 ARG A 86 2.301 -14.304 2.790 1.00 0.00 N ATOM 80 NH2 ARG A 86 4.514 -13.686 2.783 1.00 0.00 N ATOM 0 H ARG A 86 -0.888 -12.976 0.136 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.300 -10.319 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.444 -13.082 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.903 -11.638 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.774 -12.178 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.019 -10.814 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.051 -12.209 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.404 -13.672 0.322 1.00 0.00 H new ATOM 0 HE ARG A 86 3.834 -12.200 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.359 -14.224 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.480 -14.927 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.276 -13.131 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.688 -14.310 3.571 1.00 0.00 H new ATOM 94 N VAL A 87 -1.994 -9.977 -2.556 1.00 0.00 N ATOM 95 CA VAL A 87 -3.007 -9.737 -3.570 1.00 0.00 C ATOM 96 C VAL A 87 -2.366 -9.627 -4.953 1.00 0.00 C ATOM 97 O VAL A 87 -1.230 -9.162 -5.089 1.00 0.00 O ATOM 98 CB VAL A 87 -3.819 -8.460 -3.240 1.00 0.00 C ATOM 99 CG1 VAL A 87 -2.936 -7.222 -3.270 1.00 0.00 C ATOM 100 CG2 VAL A 87 -5.004 -8.305 -4.181 1.00 0.00 C ATOM 0 H VAL A 87 -1.618 -9.131 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.693 -10.584 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.207 -8.569 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.535 -6.342 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.139 -7.326 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.501 -7.109 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.555 -7.400 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.646 -8.234 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.661 -9.170 -4.085 1.00 0.00 H new ATOM 110 N SER A 88 -3.094 -10.078 -5.969 1.00 0.00 N ATOM 111 CA SER A 88 -2.595 -10.095 -7.336 1.00 0.00 C ATOM 112 C SER A 88 -2.332 -8.682 -7.846 1.00 0.00 C ATOM 113 O SER A 88 -3.062 -7.740 -7.529 1.00 0.00 O ATOM 114 CB SER A 88 -3.606 -10.796 -8.240 1.00 0.00 C ATOM 115 OG SER A 88 -3.879 -12.107 -7.779 1.00 0.00 O ATOM 0 H SER A 88 -4.042 -10.440 -5.867 1.00 0.00 H new ATOM 0 HA SER A 88 -1.650 -10.639 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.530 -10.219 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.220 -10.838 -9.258 1.00 0.00 H new ATOM 0 HG SER A 88 -4.530 -12.534 -8.374 1.00 0.00 H new ATOM 121 N LEU A 89 -1.287 -8.561 -8.658 1.00 0.00 N ATOM 122 CA LEU A 89 -0.844 -7.280 -9.184 1.00 0.00 C ATOM 123 C LEU A 89 -1.896 -6.706 -10.121 1.00 0.00 C ATOM 124 O LEU A 89 -2.040 -5.491 -10.239 1.00 0.00 O ATOM 125 CB LEU A 89 0.480 -7.453 -9.916 1.00 0.00 C ATOM 126 CG LEU A 89 1.397 -6.231 -9.898 1.00 0.00 C ATOM 127 CD1 LEU A 89 2.827 -6.665 -10.106 1.00 0.00 C ATOM 128 CD2 LEU A 89 0.996 -5.223 -10.963 1.00 0.00 C ATOM 0 H LEU A 89 -0.724 -9.352 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.701 -6.585 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.014 -8.295 -9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.272 -7.716 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 89 1.301 -5.746 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.478 -5.791 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.120 -7.348 -9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.918 -7.170 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.668 -4.366 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.059 -5.689 -11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.027 -4.891 -10.783 1.00 0.00 H new ATOM 140 N GLN A 90 -2.630 -7.594 -10.779 1.00 0.00 N ATOM 141 CA GLN A 90 -3.730 -7.188 -11.645 1.00 0.00 C ATOM 142 C GLN A 90 -4.766 -6.394 -10.851 1.00 0.00 C ATOM 143 O GLN A 90 -5.332 -5.426 -11.348 1.00 0.00 O ATOM 144 CB GLN A 90 -4.373 -8.414 -12.306 1.00 0.00 C ATOM 145 CG GLN A 90 -5.033 -9.376 -11.328 1.00 0.00 C ATOM 146 CD GLN A 90 -5.526 -10.644 -11.996 1.00 0.00 C ATOM 147 OE1 GLN A 90 -5.856 -10.648 -13.182 1.00 0.00 O ATOM 148 NE2 GLN A 90 -5.604 -11.723 -11.236 1.00 0.00 N ATOM 0 H GLN A 90 -2.483 -8.602 -10.729 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.335 -6.545 -12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.119 -8.076 -13.025 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.610 -8.952 -12.868 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.321 -9.636 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.872 -8.876 -10.843 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.321 -11.679 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.947 -12.600 -11.629 1.00 0.00 H new ATOM 157 N ASN A 91 -4.982 -6.796 -9.604 1.00 0.00 N ATOM 158 CA ASN A 91 -5.884 -6.077 -8.710 1.00 0.00 C ATOM 159 C ASN A 91 -5.298 -4.721 -8.362 1.00 0.00 C ATOM 160 O ASN A 91 -6.007 -3.717 -8.325 1.00 0.00 O ATOM 161 CB ASN A 91 -6.136 -6.872 -7.427 1.00 0.00 C ATOM 162 CG ASN A 91 -7.143 -7.990 -7.607 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.293 -8.544 -8.697 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.831 -8.339 -6.533 1.00 0.00 N ATOM 0 H ASN A 91 -4.544 -7.618 -9.188 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.835 -5.943 -9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.194 -7.293 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.490 -6.194 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.516 -9.093 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.677 -7.855 -5.649 1.00 0.00 H new ATOM 171 N LEU A 92 -3.989 -4.703 -8.143 1.00 0.00 N ATOM 172 CA LEU A 92 -3.278 -3.481 -7.787 1.00 0.00 C ATOM 173 C LEU A 92 -3.327 -2.486 -8.933 1.00 0.00 C ATOM 174 O LEU A 92 -3.404 -1.282 -8.723 1.00 0.00 O ATOM 175 CB LEU A 92 -1.821 -3.798 -7.436 1.00 0.00 C ATOM 176 CG LEU A 92 -1.631 -4.785 -6.287 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.158 -5.104 -6.094 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.227 -4.223 -5.007 1.00 0.00 C ATOM 0 H LEU A 92 -3.394 -5.529 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.765 -3.040 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.329 -4.198 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.314 -2.867 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.151 -5.710 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.043 -5.809 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.242 -5.545 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.386 -4.187 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.085 -4.937 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.732 -3.285 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.293 -4.044 -5.150 1.00 0.00 H new ATOM 190 N LYS A 93 -3.298 -3.004 -10.152 1.00 0.00 N ATOM 191 CA LYS A 93 -3.348 -2.172 -11.346 1.00 0.00 C ATOM 192 C LYS A 93 -4.616 -1.320 -11.398 1.00 0.00 C ATOM 193 O LYS A 93 -4.634 -0.265 -12.026 1.00 0.00 O ATOM 194 CB LYS A 93 -3.255 -3.039 -12.596 1.00 0.00 C ATOM 195 CG LYS A 93 -1.873 -3.620 -12.834 1.00 0.00 C ATOM 196 CD LYS A 93 -1.813 -4.472 -14.097 1.00 0.00 C ATOM 197 CE LYS A 93 -1.988 -3.649 -15.370 1.00 0.00 C ATOM 198 NZ LYS A 93 -3.417 -3.359 -15.685 1.00 0.00 N ATOM 0 H LYS A 93 -3.240 -4.005 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.495 -1.495 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.974 -3.855 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.543 -2.444 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.149 -2.809 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.583 -4.226 -11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.856 -4.993 -14.134 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.590 -5.235 -14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.447 -2.709 -15.265 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.539 -4.184 -16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.620 -3.638 -16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.031 -3.895 -15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.598 -2.341 -15.570 1.00 0.00 H new ATOM 212 N ASN A 94 -5.669 -1.777 -10.732 1.00 0.00 N ATOM 213 CA ASN A 94 -6.940 -1.049 -10.715 1.00 0.00 C ATOM 214 C ASN A 94 -6.855 0.212 -9.861 1.00 0.00 C ATOM 215 O ASN A 94 -7.711 1.090 -9.960 1.00 0.00 O ATOM 216 CB ASN A 94 -8.083 -1.927 -10.204 1.00 0.00 C ATOM 217 CG ASN A 94 -8.412 -3.070 -11.135 1.00 0.00 C ATOM 218 OD1 ASN A 94 -7.852 -4.231 -10.852 1.00 0.00 O flip ATOM 219 ND2 ASN A 94 -9.182 -2.915 -12.083 1.00 0.00 N flip ATOM 0 H ASN A 94 -5.672 -2.645 -10.197 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.146 -0.763 -11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.816 -2.328 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.972 -1.312 -10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.591 -1.998 -12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.411 -3.703 -12.688 1.00 0.00 H new ATOM 226 N LEU A 95 -5.835 0.290 -9.014 1.00 0.00 N ATOM 227 CA LEU A 95 -5.654 1.441 -8.135 1.00 0.00 C ATOM 228 C LEU A 95 -5.448 2.713 -8.948 1.00 0.00 C ATOM 229 O LEU A 95 -6.137 3.712 -8.740 1.00 0.00 O ATOM 230 CB LEU A 95 -4.464 1.218 -7.204 1.00 0.00 C ATOM 231 CG LEU A 95 -4.595 0.029 -6.256 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.304 -0.180 -5.488 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.756 0.230 -5.298 1.00 0.00 C ATOM 0 H LEU A 95 -5.120 -0.431 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.556 1.555 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.569 1.082 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.313 2.120 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.794 -0.862 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.414 -1.031 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.491 -0.373 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.078 0.714 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.831 -0.629 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.590 1.132 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.682 0.332 -5.864 1.00 0.00 H new ATOM 245 N GLY A 96 -4.503 2.666 -9.878 1.00 0.00 N ATOM 246 CA GLY A 96 -4.273 3.790 -10.769 1.00 0.00 C ATOM 247 C GLY A 96 -5.464 4.070 -11.670 1.00 0.00 C ATOM 248 O GLY A 96 -5.598 5.168 -12.214 1.00 0.00 O ATOM 0 H GLY A 96 -3.889 1.867 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.051 4.679 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.396 3.589 -11.384 1.00 0.00 H new ATOM 252 N GLU A 97 -6.333 3.078 -11.818 1.00 0.00 N ATOM 253 CA GLU A 97 -7.535 3.218 -12.631 1.00 0.00 C ATOM 254 C GLU A 97 -8.621 3.972 -11.866 1.00 0.00 C ATOM 255 O GLU A 97 -9.584 4.460 -12.458 1.00 0.00 O ATOM 256 CB GLU A 97 -8.064 1.838 -13.029 1.00 0.00 C ATOM 257 CG GLU A 97 -7.054 0.978 -13.769 1.00 0.00 C ATOM 258 CD GLU A 97 -6.799 1.452 -15.183 1.00 0.00 C ATOM 259 OE1 GLU A 97 -7.206 0.746 -16.131 1.00 0.00 O ATOM 260 OE2 GLU A 97 -6.194 2.527 -15.362 1.00 0.00 O ATOM 0 H GLU A 97 -6.227 2.162 -11.382 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.275 3.783 -13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.386 1.311 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.946 1.966 -13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.114 0.975 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.411 -0.051 -13.795 1.00 0.00 H new ATOM 267 N SER A 98 -8.455 4.066 -10.554 1.00 0.00 N ATOM 268 CA SER A 98 -9.457 4.667 -9.691 1.00 0.00 C ATOM 269 C SER A 98 -9.320 6.180 -9.667 1.00 0.00 C ATOM 270 O SER A 98 -8.280 6.719 -9.279 1.00 0.00 O ATOM 271 CB SER A 98 -9.335 4.108 -8.271 1.00 0.00 C ATOM 272 OG SER A 98 -10.199 4.787 -7.369 1.00 0.00 O ATOM 0 H SER A 98 -7.627 3.730 -10.062 1.00 0.00 H new ATOM 0 HA SER A 98 -10.440 4.419 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.574 3.045 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.304 4.201 -7.929 1.00 0.00 H new ATOM 0 HG SER A 98 -10.600 4.141 -6.751 1.00 0.00 H new ATOM 278 N ALA A 99 -10.380 6.860 -10.083 1.00 0.00 N ATOM 279 CA ALA A 99 -10.422 8.311 -10.047 1.00 0.00 C ATOM 280 C ALA A 99 -10.451 8.805 -8.609 1.00 0.00 C ATOM 281 O ALA A 99 -9.981 9.898 -8.309 1.00 0.00 O ATOM 282 CB ALA A 99 -11.632 8.827 -10.804 1.00 0.00 C ATOM 0 H ALA A 99 -11.226 6.424 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.522 8.693 -10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.647 9.916 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.578 8.500 -11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.541 8.435 -10.347 1.00 0.00 H new ATOM 288 N THR A 100 -10.995 7.983 -7.724 1.00 0.00 N ATOM 289 CA THR A 100 -11.055 8.317 -6.312 1.00 0.00 C ATOM 290 C THR A 100 -9.669 8.274 -5.685 1.00 0.00 C ATOM 291 O THR A 100 -9.264 9.200 -4.979 1.00 0.00 O ATOM 292 CB THR A 100 -11.981 7.353 -5.547 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.325 7.474 -6.039 1.00 0.00 O ATOM 294 CG2 THR A 100 -11.945 7.635 -4.048 1.00 0.00 C ATOM 0 H THR A 100 -11.402 7.078 -7.961 1.00 0.00 H new ATOM 0 HA THR A 100 -11.456 9.328 -6.239 1.00 0.00 H new ATOM 0 HB THR A 100 -11.627 6.335 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.909 6.857 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.607 6.941 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.927 7.509 -3.678 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.275 8.657 -3.862 1.00 0.00 H new ATOM 302 N LEU A 101 -8.938 7.203 -5.963 1.00 0.00 N ATOM 303 CA LEU A 101 -7.647 6.995 -5.334 1.00 0.00 C ATOM 304 C LEU A 101 -6.652 8.061 -5.770 1.00 0.00 C ATOM 305 O LEU A 101 -6.017 8.703 -4.941 1.00 0.00 O ATOM 306 CB LEU A 101 -7.099 5.608 -5.654 1.00 0.00 C ATOM 307 CG LEU A 101 -5.948 5.160 -4.755 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.442 4.915 -3.340 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.274 3.925 -5.322 1.00 0.00 C ATOM 0 H LEU A 101 -9.217 6.471 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.790 7.071 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.909 4.883 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.761 5.595 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.206 5.958 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.609 4.597 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.867 5.835 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.206 4.137 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.457 3.623 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.000 3.115 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.880 4.148 -6.313 1.00 0.00 H new ATOM 321 N ARG A 102 -6.539 8.275 -7.072 1.00 0.00 N ATOM 322 CA ARG A 102 -5.598 9.259 -7.596 1.00 0.00 C ATOM 323 C ARG A 102 -5.874 10.655 -7.029 1.00 0.00 C ATOM 324 O ARG A 102 -4.973 11.489 -6.964 1.00 0.00 O ATOM 325 CB ARG A 102 -5.656 9.312 -9.120 1.00 0.00 C ATOM 326 CG ARG A 102 -7.057 9.517 -9.659 1.00 0.00 C ATOM 327 CD ARG A 102 -7.044 10.232 -10.997 1.00 0.00 C ATOM 328 NE ARG A 102 -6.181 9.572 -11.970 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.021 9.984 -13.224 1.00 0.00 C ATOM 330 NH1 ARG A 102 -6.677 11.052 -13.667 1.00 0.00 N ATOM 331 NH2 ARG A 102 -5.199 9.328 -14.033 1.00 0.00 N ATOM 0 H ARG A 102 -7.082 7.785 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.601 8.945 -7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.016 10.121 -9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.250 8.385 -9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.550 8.551 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.641 10.095 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.060 10.281 -11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.708 11.259 -10.854 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.668 8.743 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.306 11.559 -13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.551 11.365 -14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.693 8.511 -13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.074 9.641 -14.996 1.00 0.00 H new ATOM 345 N SER A 103 -7.118 10.896 -6.621 1.00 0.00 N ATOM 346 CA SER A 103 -7.515 12.186 -6.079 1.00 0.00 C ATOM 347 C SER A 103 -6.982 12.401 -4.661 1.00 0.00 C ATOM 348 O SER A 103 -6.558 13.504 -4.323 1.00 0.00 O ATOM 349 CB SER A 103 -9.034 12.324 -6.105 1.00 0.00 C ATOM 350 OG SER A 103 -9.518 12.336 -7.439 1.00 0.00 O ATOM 0 H SER A 103 -7.870 10.208 -6.657 1.00 0.00 H new ATOM 0 HA SER A 103 -7.075 12.957 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.488 11.498 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.329 13.243 -5.599 1.00 0.00 H new ATOM 0 HG SER A 103 -9.815 11.436 -7.687 1.00 0.00 H new ATOM 356 N LEU A 104 -6.984 11.369 -3.822 1.00 0.00 N ATOM 357 CA LEU A 104 -6.439 11.540 -2.481 1.00 0.00 C ATOM 358 C LEU A 104 -4.934 11.285 -2.468 1.00 0.00 C ATOM 359 O LEU A 104 -4.236 11.679 -1.535 1.00 0.00 O ATOM 360 CB LEU A 104 -7.198 10.740 -1.411 1.00 0.00 C ATOM 361 CG LEU A 104 -7.715 9.375 -1.820 1.00 0.00 C ATOM 362 CD1 LEU A 104 -6.558 8.460 -2.077 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.607 8.811 -0.731 1.00 0.00 C ATOM 0 H LEU A 104 -7.343 10.438 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.592 12.583 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.540 10.611 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.045 11.338 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.303 9.467 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.929 7.478 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.941 8.869 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.961 8.365 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.974 7.830 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.037 8.716 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.452 9.481 -0.569 1.00 0.00 H new ATOM 375 N LEU A 105 -4.436 10.660 -3.532 1.00 0.00 N ATOM 376 CA LEU A 105 -3.003 10.557 -3.780 1.00 0.00 C ATOM 377 C LEU A 105 -2.416 11.918 -4.128 1.00 0.00 C ATOM 378 O LEU A 105 -1.212 12.059 -4.320 1.00 0.00 O ATOM 379 CB LEU A 105 -2.747 9.589 -4.929 1.00 0.00 C ATOM 380 CG LEU A 105 -2.479 8.146 -4.523 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.559 7.613 -3.603 1.00 0.00 C ATOM 382 CD2 LEU A 105 -2.349 7.272 -5.759 1.00 0.00 C ATOM 0 H LEU A 105 -5.014 10.212 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.524 10.189 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.610 9.607 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.894 9.951 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.540 8.122 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.332 6.581 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.600 8.221 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.522 7.653 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.157 6.242 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.274 7.316 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.522 7.630 -6.373 1.00 0.00 H new ATOM 394 N LEU A 106 -3.281 12.908 -4.234 1.00 0.00 N ATOM 395 CA LEU A 106 -2.864 14.270 -4.500 1.00 0.00 C ATOM 396 C LEU A 106 -2.413 14.960 -3.213 1.00 0.00 C ATOM 397 O LEU A 106 -1.816 16.038 -3.251 1.00 0.00 O ATOM 398 CB LEU A 106 -4.008 15.030 -5.156 1.00 0.00 C ATOM 399 CG LEU A 106 -4.431 14.471 -6.514 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.639 15.212 -7.042 1.00 0.00 C ATOM 401 CD2 LEU A 106 -3.284 14.545 -7.508 1.00 0.00 C ATOM 0 H LEU A 106 -4.290 12.791 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.012 14.258 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.868 15.019 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.714 16.072 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.701 13.423 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.925 14.799 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.467 15.103 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.397 16.269 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.608 14.142 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.979 15.584 -7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.441 13.963 -7.135 1.00 0.00 H new ATOM 413 N ASN A 107 -2.696 14.326 -2.074 1.00 0.00 N ATOM 414 CA ASN A 107 -2.228 14.825 -0.781 1.00 0.00 C ATOM 415 C ASN A 107 -0.748 14.515 -0.622 1.00 0.00 C ATOM 416 O ASN A 107 -0.363 13.347 -0.553 1.00 0.00 O ATOM 417 CB ASN A 107 -2.992 14.186 0.389 1.00 0.00 C ATOM 418 CG ASN A 107 -4.453 14.574 0.444 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.815 15.606 1.006 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.307 13.726 -0.099 1.00 0.00 N ATOM 0 H ASN A 107 -3.246 13.468 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.403 15.901 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.916 13.101 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.513 14.474 1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.308 13.916 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.965 12.881 -0.556 1.00 0.00 H new ATOM 427 N PRO A 108 0.103 15.551 -0.554 1.00 0.00 N ATOM 428 CA PRO A 108 1.554 15.374 -0.440 1.00 0.00 C ATOM 429 C PRO A 108 1.944 14.611 0.822 1.00 0.00 C ATOM 430 O PRO A 108 2.986 13.957 0.866 1.00 0.00 O ATOM 431 CB PRO A 108 2.102 16.805 -0.402 1.00 0.00 C ATOM 432 CG PRO A 108 0.941 17.666 -0.041 1.00 0.00 C ATOM 433 CD PRO A 108 -0.279 16.973 -0.579 1.00 0.00 C ATOM 0 HA PRO A 108 1.955 14.784 -1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.903 16.899 0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.518 17.092 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.872 17.793 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.045 18.661 -0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.156 17.165 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.520 17.308 -1.588 1.00 0.00 H new ATOM 441 N HIS A 109 1.103 14.691 1.844 1.00 0.00 N ATOM 442 CA HIS A 109 1.340 13.954 3.075 1.00 0.00 C ATOM 443 C HIS A 109 1.152 12.459 2.840 1.00 0.00 C ATOM 444 O HIS A 109 1.992 11.653 3.236 1.00 0.00 O ATOM 445 CB HIS A 109 0.401 14.441 4.181 1.00 0.00 C ATOM 446 CG HIS A 109 0.576 13.716 5.477 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.473 14.142 6.424 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.043 12.599 5.923 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.382 13.277 7.419 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.477 12.328 7.162 1.00 0.00 N ATOM 0 H HIS A 109 0.254 15.257 1.844 1.00 0.00 H new ATOM 0 HA HIS A 109 2.368 14.131 3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.567 15.506 4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.630 14.327 3.847 1.00 0.00 H new ATOM 0 HD1 HIS A 109 2.084 14.957 6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.800 12.031 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.966 13.330 8.326 1.00 0.00 H new ATOM 458 N LEU A 110 0.056 12.096 2.177 1.00 0.00 N ATOM 459 CA LEU A 110 -0.237 10.702 1.895 1.00 0.00 C ATOM 460 C LEU A 110 0.829 10.117 0.973 1.00 0.00 C ATOM 461 O LEU A 110 1.205 8.950 1.088 1.00 0.00 O ATOM 462 CB LEU A 110 -1.626 10.588 1.262 1.00 0.00 C ATOM 463 CG LEU A 110 -2.021 9.185 0.811 1.00 0.00 C ATOM 464 CD1 LEU A 110 -2.028 8.223 1.987 1.00 0.00 C ATOM 465 CD2 LEU A 110 -3.379 9.203 0.128 1.00 0.00 C ATOM 0 H LEU A 110 -0.642 12.753 1.827 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.229 10.135 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.365 10.943 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.671 11.255 0.401 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.279 8.839 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.312 7.229 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.033 8.183 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.744 8.567 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.642 8.193 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.131 9.574 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.339 9.855 -0.745 1.00 0.00 H new ATOM 477 N ARG A 111 1.324 10.954 0.074 1.00 0.00 N ATOM 478 CA ARG A 111 2.388 10.570 -0.834 1.00 0.00 C ATOM 479 C ARG A 111 3.675 10.281 -0.065 1.00 0.00 C ATOM 480 O ARG A 111 4.370 9.301 -0.342 1.00 0.00 O ATOM 481 CB ARG A 111 2.603 11.684 -1.852 1.00 0.00 C ATOM 482 CG ARG A 111 1.347 12.002 -2.645 1.00 0.00 C ATOM 483 CD ARG A 111 1.566 13.121 -3.646 1.00 0.00 C ATOM 484 NE ARG A 111 2.552 12.755 -4.653 1.00 0.00 N ATOM 485 CZ ARG A 111 2.247 12.276 -5.863 1.00 0.00 C ATOM 486 NH1 ARG A 111 0.979 12.066 -6.202 1.00 0.00 N ATOM 487 NH2 ARG A 111 3.214 11.991 -6.726 1.00 0.00 N ATOM 0 H ARG A 111 1.000 11.914 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 111 2.104 9.657 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.939 12.583 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.398 11.395 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.016 11.107 -3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.548 12.283 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.622 13.364 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.896 14.019 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 111 3.538 12.872 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.233 12.271 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.752 11.700 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.189 12.137 -6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.982 11.625 -7.650 1.00 0.00 H new ATOM 501 N GLN A 112 3.971 11.131 0.912 1.00 0.00 N ATOM 502 CA GLN A 112 5.134 10.942 1.770 1.00 0.00 C ATOM 503 C GLN A 112 5.006 9.665 2.593 1.00 0.00 C ATOM 504 O GLN A 112 5.979 8.936 2.777 1.00 0.00 O ATOM 505 CB GLN A 112 5.317 12.147 2.694 1.00 0.00 C ATOM 506 CG GLN A 112 6.379 13.119 2.211 1.00 0.00 C ATOM 507 CD GLN A 112 7.767 12.514 2.256 1.00 0.00 C ATOM 508 OE1 GLN A 112 8.181 11.894 1.166 1.00 0.00 O flip ATOM 509 NE2 GLN A 112 8.466 12.609 3.263 1.00 0.00 N flip ATOM 0 H GLN A 112 3.419 11.961 1.130 1.00 0.00 H new ATOM 0 HA GLN A 112 6.012 10.850 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.367 12.674 2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.583 11.795 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.151 13.427 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.355 14.017 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 112 8.111 13.096 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.401 12.201 3.275 1.00 0.00 H new ATOM 518 N LEU A 113 3.802 9.397 3.077 1.00 0.00 N ATOM 519 CA LEU A 113 3.545 8.190 3.849 1.00 0.00 C ATOM 520 C LEU A 113 3.871 6.944 3.032 1.00 0.00 C ATOM 521 O LEU A 113 4.581 6.054 3.500 1.00 0.00 O ATOM 522 CB LEU A 113 2.086 8.149 4.314 1.00 0.00 C ATOM 523 CG LEU A 113 1.701 9.206 5.354 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.227 9.094 5.707 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.555 9.061 6.603 1.00 0.00 C ATOM 0 H LEU A 113 2.988 9.998 2.949 1.00 0.00 H new ATOM 0 HA LEU A 113 4.192 8.207 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.441 8.268 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.882 7.162 4.730 1.00 0.00 H new ATOM 0 HG LEU A 113 1.881 10.191 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.029 9.852 6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.374 9.245 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.025 8.104 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.267 9.820 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.405 8.071 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.606 9.188 6.342 1.00 0.00 H new ATOM 537 N MET A 114 3.376 6.897 1.802 1.00 0.00 N ATOM 538 CA MET A 114 3.613 5.749 0.936 1.00 0.00 C ATOM 539 C MET A 114 5.104 5.500 0.730 1.00 0.00 C ATOM 540 O MET A 114 5.591 4.395 0.972 1.00 0.00 O ATOM 541 CB MET A 114 2.921 5.920 -0.420 1.00 0.00 C ATOM 542 CG MET A 114 1.440 5.573 -0.396 1.00 0.00 C ATOM 543 SD MET A 114 0.751 5.327 -2.045 1.00 0.00 S ATOM 544 CE MET A 114 1.125 6.892 -2.826 1.00 0.00 C ATOM 0 H MET A 114 2.811 7.636 1.383 1.00 0.00 H new ATOM 0 HA MET A 114 3.185 4.881 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 114 3.039 6.952 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.421 5.290 -1.156 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.294 4.667 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.893 6.371 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.665 6.925 -3.814 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.733 7.706 -2.216 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.205 7.000 -2.925 1.00 0.00 H new ATOM 554 N VAL A 115 5.835 6.526 0.310 1.00 0.00 N ATOM 555 CA VAL A 115 7.250 6.358 -0.007 1.00 0.00 C ATOM 556 C VAL A 115 8.069 6.009 1.233 1.00 0.00 C ATOM 557 O VAL A 115 9.087 5.326 1.135 1.00 0.00 O ATOM 558 CB VAL A 115 7.848 7.603 -0.696 1.00 0.00 C ATOM 559 CG1 VAL A 115 7.120 7.890 -1.997 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.806 8.812 0.220 1.00 0.00 C ATOM 0 H VAL A 115 5.478 7.473 0.182 1.00 0.00 H new ATOM 0 HA VAL A 115 7.305 5.525 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 115 8.894 7.394 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.554 8.771 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.218 7.034 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.065 8.071 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.234 9.673 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.772 9.028 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.381 8.605 1.122 1.00 0.00 H new ATOM 570 N ASN A 116 7.615 6.464 2.395 1.00 0.00 N ATOM 571 CA ASN A 116 8.267 6.129 3.656 1.00 0.00 C ATOM 572 C ASN A 116 8.071 4.655 3.983 1.00 0.00 C ATOM 573 O ASN A 116 9.017 3.952 4.345 1.00 0.00 O ATOM 574 CB ASN A 116 7.710 6.979 4.798 1.00 0.00 C ATOM 575 CG ASN A 116 8.320 8.365 4.866 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.461 8.581 4.456 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.565 9.309 5.399 1.00 0.00 N ATOM 0 H ASN A 116 6.797 7.066 2.490 1.00 0.00 H new ATOM 0 HA ASN A 116 9.332 6.336 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.630 7.070 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.886 6.465 5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.922 10.261 5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.625 9.086 5.726 1.00 0.00 H new ATOM 584 N LEU A 117 6.834 4.197 3.846 1.00 0.00 N ATOM 585 CA LEU A 117 6.471 2.816 4.143 1.00 0.00 C ATOM 586 C LEU A 117 7.200 1.847 3.207 1.00 0.00 C ATOM 587 O LEU A 117 7.652 0.784 3.631 1.00 0.00 O ATOM 588 CB LEU A 117 4.956 2.654 3.996 1.00 0.00 C ATOM 589 CG LEU A 117 4.383 1.318 4.461 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.591 1.138 5.956 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.906 1.227 4.112 1.00 0.00 C ATOM 0 H LEU A 117 6.054 4.771 3.526 1.00 0.00 H new ATOM 0 HA LEU A 117 6.768 2.582 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.468 3.452 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.695 2.795 2.947 1.00 0.00 H new ATOM 0 HG LEU A 117 4.911 0.516 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.176 0.180 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.657 1.162 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.089 1.943 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.511 0.269 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.366 2.036 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.781 1.311 3.032 1.00 0.00 H new ATOM 603 N ASP A 118 7.325 2.242 1.940 1.00 0.00 N ATOM 604 CA ASP A 118 7.955 1.406 0.911 1.00 0.00 C ATOM 605 C ASP A 118 9.426 1.150 1.211 1.00 0.00 C ATOM 606 O ASP A 118 9.957 0.094 0.866 1.00 0.00 O ATOM 607 CB ASP A 118 7.810 2.058 -0.466 1.00 0.00 C ATOM 608 CG ASP A 118 8.677 1.406 -1.535 1.00 0.00 C ATOM 609 OD1 ASP A 118 8.272 0.359 -2.090 1.00 0.00 O ATOM 610 OD2 ASP A 118 9.762 1.948 -1.827 1.00 0.00 O ATOM 0 H ASP A 118 6.996 3.144 1.597 1.00 0.00 H new ATOM 0 HA ASP A 118 7.441 0.445 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.766 2.009 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.071 3.114 -0.390 1.00 0.00 H new ATOM 615 N GLN A 119 10.078 2.102 1.876 1.00 0.00 N ATOM 616 CA GLN A 119 11.490 1.956 2.217 1.00 0.00 C ATOM 617 C GLN A 119 11.684 0.731 3.095 1.00 0.00 C ATOM 618 O GLN A 119 12.725 0.074 3.062 1.00 0.00 O ATOM 619 CB GLN A 119 11.998 3.201 2.940 1.00 0.00 C ATOM 620 CG GLN A 119 11.838 4.464 2.122 1.00 0.00 C ATOM 621 CD GLN A 119 12.407 5.692 2.806 1.00 0.00 C ATOM 622 OE1 GLN A 119 13.357 5.606 3.585 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.830 6.847 2.514 1.00 0.00 N ATOM 0 H GLN A 119 9.654 2.976 2.187 1.00 0.00 H new ATOM 0 HA GLN A 119 12.060 1.833 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.460 3.313 3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.051 3.066 3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.331 4.331 1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.780 4.626 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 119 11.045 6.875 1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.170 7.709 2.940 1.00 0.00 H new ATOM 632 N GLY A 120 10.647 0.429 3.855 1.00 0.00 N ATOM 633 CA GLY A 120 10.594 -0.803 4.616 1.00 0.00 C ATOM 634 C GLY A 120 11.574 -0.854 5.771 1.00 0.00 C ATOM 635 O GLY A 120 11.861 -1.932 6.288 1.00 0.00 O ATOM 0 H GLY A 120 9.826 1.025 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.584 -0.936 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.792 -1.641 3.947 1.00 0.00 H new ATOM 639 N GLU A 121 12.069 0.298 6.196 1.00 0.00 N ATOM 640 CA GLU A 121 13.029 0.350 7.290 1.00 0.00 C ATOM 641 C GLU A 121 12.367 -0.079 8.592 1.00 0.00 C ATOM 642 O GLU A 121 12.815 -1.016 9.254 1.00 0.00 O ATOM 643 CB GLU A 121 13.608 1.758 7.434 1.00 0.00 C ATOM 644 CG GLU A 121 14.508 2.164 6.280 1.00 0.00 C ATOM 645 CD GLU A 121 15.700 1.241 6.134 1.00 0.00 C ATOM 646 OE1 GLU A 121 16.584 1.260 7.014 1.00 0.00 O ATOM 647 OE2 GLU A 121 15.757 0.484 5.145 1.00 0.00 O ATOM 0 H GLU A 121 11.824 1.207 5.803 1.00 0.00 H new ATOM 0 HA GLU A 121 13.844 -0.337 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.789 2.473 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.174 1.816 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 121 13.933 2.161 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 121 14.857 3.185 6.435 1.00 0.00 H new ATOM 654 N ASP A 122 11.281 0.591 8.934 1.00 0.00 N ATOM 655 CA ASP A 122 10.533 0.274 10.142 1.00 0.00 C ATOM 656 C ASP A 122 9.050 0.214 9.843 1.00 0.00 C ATOM 657 O ASP A 122 8.227 0.745 10.592 1.00 0.00 O ATOM 658 CB ASP A 122 10.811 1.300 11.245 1.00 0.00 C ATOM 659 CG ASP A 122 12.113 1.041 11.979 1.00 0.00 C ATOM 660 OD1 ASP A 122 13.154 1.608 11.586 1.00 0.00 O ATOM 661 OD2 ASP A 122 12.102 0.271 12.962 1.00 0.00 O ATOM 0 H ASP A 122 10.894 1.362 8.390 1.00 0.00 H new ATOM 0 HA ASP A 122 10.861 -0.703 10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 122 10.839 2.298 10.807 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.988 1.289 11.960 1.00 0.00 H new ATOM 666 N LYS A 123 8.716 -0.456 8.744 1.00 0.00 N ATOM 667 CA LYS A 123 7.333 -0.568 8.298 1.00 0.00 C ATOM 668 C LYS A 123 6.446 -1.180 9.378 1.00 0.00 C ATOM 669 O LYS A 123 5.267 -0.855 9.467 1.00 0.00 O ATOM 670 CB LYS A 123 7.224 -1.388 6.999 1.00 0.00 C ATOM 671 CG LYS A 123 7.502 -2.885 7.146 1.00 0.00 C ATOM 672 CD LYS A 123 8.968 -3.234 6.917 1.00 0.00 C ATOM 673 CE LYS A 123 9.700 -3.536 8.214 1.00 0.00 C ATOM 674 NZ LYS A 123 11.094 -3.997 7.969 1.00 0.00 N ATOM 0 H LYS A 123 9.389 -0.932 8.144 1.00 0.00 H new ATOM 0 HA LYS A 123 6.982 0.444 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.221 -1.260 6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.921 -0.976 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.207 -3.209 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.886 -3.437 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 123 9.034 -4.098 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.461 -2.405 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.717 -2.642 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.156 -4.301 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.622 -3.998 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.077 -4.960 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.558 -3.356 7.294 1.00 0.00 H new ATOM 688 N ALA A 124 7.026 -2.033 10.220 1.00 0.00 N ATOM 689 CA ALA A 124 6.261 -2.724 11.251 1.00 0.00 C ATOM 690 C ALA A 124 5.608 -1.738 12.215 1.00 0.00 C ATOM 691 O ALA A 124 4.470 -1.934 12.643 1.00 0.00 O ATOM 692 CB ALA A 124 7.148 -3.696 12.009 1.00 0.00 C ATOM 0 H ALA A 124 8.020 -2.261 10.207 1.00 0.00 H new ATOM 0 HA ALA A 124 5.467 -3.284 10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.561 -4.203 12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.555 -4.433 11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.966 -3.151 12.481 1.00 0.00 H new ATOM 698 N LYS A 125 6.326 -0.671 12.539 1.00 0.00 N ATOM 699 CA LYS A 125 5.803 0.345 13.442 1.00 0.00 C ATOM 700 C LYS A 125 5.018 1.370 12.645 1.00 0.00 C ATOM 701 O LYS A 125 4.013 1.907 13.115 1.00 0.00 O ATOM 702 CB LYS A 125 6.924 1.044 14.224 1.00 0.00 C ATOM 703 CG LYS A 125 7.924 0.088 14.855 1.00 0.00 C ATOM 704 CD LYS A 125 9.049 -0.236 13.888 1.00 0.00 C ATOM 705 CE LYS A 125 9.696 -1.570 14.198 1.00 0.00 C ATOM 706 NZ LYS A 125 10.371 -1.580 15.521 1.00 0.00 N ATOM 0 H LYS A 125 7.267 -0.487 12.192 1.00 0.00 H new ATOM 0 HA LYS A 125 5.153 -0.148 14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 125 7.455 1.719 13.553 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.479 1.658 15.007 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.335 0.532 15.762 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.418 -0.831 15.151 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.660 -0.250 12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.802 0.551 13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.937 -2.352 14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.423 -1.807 13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.827 -2.503 15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.091 -0.830 15.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 9.669 -1.414 16.270 1.00 0.00 H new ATOM 720 N LEU A 126 5.475 1.620 11.421 1.00 0.00 N ATOM 721 CA LEU A 126 4.825 2.591 10.553 1.00 0.00 C ATOM 722 C LEU A 126 3.384 2.185 10.274 1.00 0.00 C ATOM 723 O LEU A 126 2.511 3.036 10.207 1.00 0.00 O ATOM 724 CB LEU A 126 5.589 2.766 9.235 1.00 0.00 C ATOM 725 CG LEU A 126 6.965 3.432 9.353 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.694 3.388 8.019 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.844 4.871 9.831 1.00 0.00 C ATOM 0 H LEU A 126 6.290 1.164 11.011 1.00 0.00 H new ATOM 0 HA LEU A 126 4.827 3.548 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.717 1.785 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.975 3.357 8.555 1.00 0.00 H new ATOM 0 HG LEU A 126 7.540 2.874 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.669 3.865 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.828 2.351 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.108 3.917 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.837 5.315 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.243 5.441 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.365 4.890 10.810 1.00 0.00 H new ATOM 739 N MET A 127 3.124 0.888 10.147 1.00 0.00 N ATOM 740 CA MET A 127 1.769 0.414 9.884 1.00 0.00 C ATOM 741 C MET A 127 0.800 0.969 10.921 1.00 0.00 C ATOM 742 O MET A 127 -0.278 1.448 10.585 1.00 0.00 O ATOM 743 CB MET A 127 1.697 -1.115 9.884 1.00 0.00 C ATOM 744 CG MET A 127 2.512 -1.777 8.783 1.00 0.00 C ATOM 745 SD MET A 127 2.310 -0.983 7.176 1.00 0.00 S ATOM 746 CE MET A 127 0.541 -1.086 6.938 1.00 0.00 C ATOM 0 H MET A 127 3.826 0.152 10.221 1.00 0.00 H new ATOM 0 HA MET A 127 1.486 0.771 8.894 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.044 -1.484 10.849 1.00 0.00 H new ATOM 0 HB3 MET A 127 0.655 -1.419 9.782 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.566 -1.760 9.060 1.00 0.00 H new ATOM 0 HG3 MET A 127 2.220 -2.824 8.703 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.323 -1.205 5.877 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.149 -1.942 7.487 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.071 -0.174 7.305 1.00 0.00 H new ATOM 756 N ARG A 128 1.215 0.936 12.177 1.00 0.00 N ATOM 757 CA ARG A 128 0.394 1.434 13.271 1.00 0.00 C ATOM 758 C ARG A 128 0.326 2.955 13.253 1.00 0.00 C ATOM 759 O ARG A 128 -0.726 3.541 13.513 1.00 0.00 O ATOM 760 CB ARG A 128 0.956 0.951 14.604 1.00 0.00 C ATOM 761 CG ARG A 128 0.811 -0.546 14.813 1.00 0.00 C ATOM 762 CD ARG A 128 -0.650 -0.937 14.987 1.00 0.00 C ATOM 763 NE ARG A 128 -1.262 -0.256 16.130 1.00 0.00 N ATOM 764 CZ ARG A 128 -2.517 0.201 16.151 1.00 0.00 C ATOM 765 NH1 ARG A 128 -3.318 0.023 15.103 1.00 0.00 N ATOM 766 NH2 ARG A 128 -2.973 0.827 17.229 1.00 0.00 N ATOM 0 H ARG A 128 2.121 0.567 12.466 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.617 1.047 13.145 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.011 1.218 14.663 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.449 1.474 15.415 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.234 -1.078 13.961 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.379 -0.850 15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.202 -0.693 14.080 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.724 -2.016 15.124 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.692 -0.122 16.965 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.975 -0.465 14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.275 0.375 15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.366 0.958 18.038 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.931 1.177 17.248 1.00 0.00 H new ATOM 780 N ALA A 129 1.447 3.585 12.933 1.00 0.00 N ATOM 781 CA ALA A 129 1.529 5.038 12.899 1.00 0.00 C ATOM 782 C ALA A 129 0.730 5.614 11.734 1.00 0.00 C ATOM 783 O ALA A 129 0.303 6.765 11.770 1.00 0.00 O ATOM 784 CB ALA A 129 2.983 5.479 12.814 1.00 0.00 C ATOM 0 H ALA A 129 2.317 3.110 12.692 1.00 0.00 H new ATOM 0 HA ALA A 129 1.094 5.421 13.822 1.00 0.00 H new ATOM 0 HB1 ALA A 129 3.032 6.568 12.789 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.526 5.111 13.684 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.433 5.075 11.908 1.00 0.00 H new ATOM 790 N TYR A 130 0.533 4.811 10.700 1.00 0.00 N ATOM 791 CA TYR A 130 -0.195 5.256 9.518 1.00 0.00 C ATOM 792 C TYR A 130 -1.691 4.996 9.676 1.00 0.00 C ATOM 793 O TYR A 130 -2.518 5.743 9.159 1.00 0.00 O ATOM 794 CB TYR A 130 0.329 4.559 8.258 1.00 0.00 C ATOM 795 CG TYR A 130 1.730 4.972 7.842 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.132 4.886 6.518 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.651 5.439 8.771 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.408 5.246 6.138 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.924 5.801 8.399 1.00 0.00 C ATOM 800 CZ TYR A 130 4.299 5.702 7.082 1.00 0.00 C ATOM 801 OH TYR A 130 5.571 6.059 6.707 1.00 0.00 O ATOM 0 H TYR A 130 0.866 3.848 10.654 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.035 6.329 9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.316 3.482 8.423 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.355 4.764 7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 130 1.435 4.532 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.361 5.519 9.808 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.707 5.170 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.625 6.161 9.138 1.00 0.00 H new ATOM 0 HH TYR A 130 5.902 6.763 7.303 1.00 0.00 H new ATOM 811 N MET A 131 -2.033 3.944 10.418 1.00 0.00 N ATOM 812 CA MET A 131 -3.434 3.567 10.628 1.00 0.00 C ATOM 813 C MET A 131 -4.166 4.592 11.490 1.00 0.00 C ATOM 814 O MET A 131 -5.388 4.548 11.613 1.00 0.00 O ATOM 815 CB MET A 131 -3.535 2.186 11.287 1.00 0.00 C ATOM 816 CG MET A 131 -3.200 1.015 10.369 1.00 0.00 C ATOM 817 SD MET A 131 -4.635 0.336 9.503 1.00 0.00 S ATOM 818 CE MET A 131 -5.038 1.653 8.358 1.00 0.00 C ATOM 0 H MET A 131 -1.360 3.336 10.885 1.00 0.00 H new ATOM 0 HA MET A 131 -3.907 3.534 9.647 1.00 0.00 H new ATOM 0 HB2 MET A 131 -2.865 2.159 12.147 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.548 2.053 11.668 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.464 1.340 9.634 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.735 0.225 10.958 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.614 1.248 7.526 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.627 2.414 8.871 1.00 0.00 H new ATOM 0 HE3 MET A 131 -4.119 2.100 7.979 1.00 0.00 H new ATOM 828 N GLN A 132 -3.422 5.515 12.082 1.00 0.00 N ATOM 829 CA GLN A 132 -4.013 6.527 12.945 1.00 0.00 C ATOM 830 C GLN A 132 -4.273 7.810 12.163 1.00 0.00 C ATOM 831 O GLN A 132 -4.930 8.729 12.656 1.00 0.00 O ATOM 832 CB GLN A 132 -3.088 6.824 14.124 1.00 0.00 C ATOM 833 CG GLN A 132 -1.848 7.598 13.722 1.00 0.00 C ATOM 834 CD GLN A 132 -0.867 7.791 14.855 1.00 0.00 C ATOM 835 OE1 GLN A 132 -1.243 7.855 16.025 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.399 7.889 14.504 1.00 0.00 N ATOM 0 H GLN A 132 -2.409 5.584 11.981 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.961 6.143 13.322 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.637 7.392 14.875 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.789 5.885 14.590 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.350 7.074 12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.146 8.574 13.339 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.662 7.830 13.520 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.117 8.024 15.216 1.00 0.00 H new ATOM 845 N GLU A 133 -3.758 7.869 10.943 1.00 0.00 N ATOM 846 CA GLU A 133 -3.844 9.075 10.140 1.00 0.00 C ATOM 847 C GLU A 133 -5.082 9.051 9.266 1.00 0.00 C ATOM 848 O GLU A 133 -5.241 8.158 8.436 1.00 0.00 O ATOM 849 CB GLU A 133 -2.612 9.216 9.257 1.00 0.00 C ATOM 850 CG GLU A 133 -1.308 9.151 10.020 1.00 0.00 C ATOM 851 CD GLU A 133 -0.307 10.159 9.508 1.00 0.00 C ATOM 852 OE1 GLU A 133 -0.627 11.368 9.517 1.00 0.00 O ATOM 853 OE2 GLU A 133 0.797 9.761 9.101 1.00 0.00 O ATOM 0 H GLU A 133 -3.276 7.093 10.489 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.902 9.925 10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.623 8.427 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.664 10.165 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.497 9.332 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.888 8.148 9.938 1.00 0.00 H new ATOM 860 N PRO A 134 -5.954 10.056 9.414 1.00 0.00 N ATOM 861 CA PRO A 134 -7.214 10.136 8.667 1.00 0.00 C ATOM 862 C PRO A 134 -6.999 10.166 7.157 1.00 0.00 C ATOM 863 O PRO A 134 -7.906 9.861 6.391 1.00 0.00 O ATOM 864 CB PRO A 134 -7.844 11.447 9.144 1.00 0.00 C ATOM 865 CG PRO A 134 -6.729 12.221 9.759 1.00 0.00 C ATOM 866 CD PRO A 134 -5.782 11.203 10.319 1.00 0.00 C ATOM 0 HA PRO A 134 -7.840 9.262 8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.290 11.994 8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.639 11.261 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.234 12.849 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.099 12.883 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.754 11.566 10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.030 10.945 11.349 1.00 0.00 H new ATOM 874 N LEU A 135 -5.794 10.530 6.735 1.00 0.00 N ATOM 875 CA LEU A 135 -5.469 10.559 5.315 1.00 0.00 C ATOM 876 C LEU A 135 -5.143 9.159 4.813 1.00 0.00 C ATOM 877 O LEU A 135 -5.571 8.758 3.730 1.00 0.00 O ATOM 878 CB LEU A 135 -4.289 11.496 5.041 1.00 0.00 C ATOM 879 CG LEU A 135 -4.551 12.978 5.319 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.312 13.801 5.005 1.00 0.00 C ATOM 881 CD2 LEU A 135 -5.737 13.478 4.507 1.00 0.00 C ATOM 0 H LEU A 135 -5.030 10.807 7.352 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.342 10.934 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.442 11.174 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.994 11.386 3.998 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.788 13.091 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.513 14.853 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -2.484 13.464 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -3.050 13.677 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.905 14.534 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.530 13.351 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.627 12.908 4.774 1.00 0.00 H new ATOM 893 N PHE A 136 -4.404 8.407 5.617 1.00 0.00 N ATOM 894 CA PHE A 136 -3.986 7.071 5.226 1.00 0.00 C ATOM 895 C PHE A 136 -5.134 6.089 5.411 1.00 0.00 C ATOM 896 O PHE A 136 -5.267 5.128 4.660 1.00 0.00 O ATOM 897 CB PHE A 136 -2.771 6.635 6.042 1.00 0.00 C ATOM 898 CG PHE A 136 -2.058 5.440 5.474 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.327 4.162 5.940 1.00 0.00 C ATOM 900 CD2 PHE A 136 -1.113 5.600 4.475 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.662 3.067 5.420 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.448 4.510 3.948 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.721 3.244 4.422 1.00 0.00 C ATOM 0 H PHE A 136 -4.083 8.699 6.540 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.706 7.084 4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -2.071 7.468 6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.090 6.407 7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -3.064 4.020 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.893 6.590 4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.877 2.076 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.284 4.649 3.166 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.200 2.391 4.014 1.00 0.00 H new ATOM 913 N VAL A 137 -5.967 6.347 6.414 1.00 0.00 N ATOM 914 CA VAL A 137 -7.142 5.523 6.673 1.00 0.00 C ATOM 915 C VAL A 137 -8.081 5.524 5.468 1.00 0.00 C ATOM 916 O VAL A 137 -8.614 4.482 5.081 1.00 0.00 O ATOM 917 CB VAL A 137 -7.901 6.011 7.927 1.00 0.00 C ATOM 918 CG1 VAL A 137 -9.195 5.239 8.117 1.00 0.00 C ATOM 919 CG2 VAL A 137 -7.022 5.881 9.162 1.00 0.00 C ATOM 0 H VAL A 137 -5.849 7.124 7.064 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.795 4.505 6.852 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.152 7.062 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.709 5.603 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.834 5.380 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.972 4.179 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.571 6.229 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.742 4.837 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.123 6.484 9.034 1.00 0.00 H new ATOM 929 N GLU A 138 -8.268 6.692 4.866 1.00 0.00 N ATOM 930 CA GLU A 138 -9.107 6.803 3.684 1.00 0.00 C ATOM 931 C GLU A 138 -8.439 6.116 2.502 1.00 0.00 C ATOM 932 O GLU A 138 -9.085 5.388 1.755 1.00 0.00 O ATOM 933 CB GLU A 138 -9.376 8.269 3.358 1.00 0.00 C ATOM 934 CG GLU A 138 -10.054 9.018 4.489 1.00 0.00 C ATOM 935 CD GLU A 138 -11.438 8.492 4.804 1.00 0.00 C ATOM 936 OE1 GLU A 138 -12.402 8.904 4.125 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.572 7.675 5.739 1.00 0.00 O ATOM 0 H GLU A 138 -7.852 7.570 5.176 1.00 0.00 H new ATOM 0 HA GLU A 138 -10.059 6.312 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -8.433 8.760 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -10.000 8.328 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -9.434 8.952 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -10.124 10.074 4.227 1.00 0.00 H new ATOM 944 N PHE A 139 -7.135 6.336 2.361 1.00 0.00 N ATOM 945 CA PHE A 139 -6.358 5.717 1.294 1.00 0.00 C ATOM 946 C PHE A 139 -6.449 4.200 1.373 1.00 0.00 C ATOM 947 O PHE A 139 -6.738 3.526 0.381 1.00 0.00 O ATOM 948 CB PHE A 139 -4.897 6.164 1.392 1.00 0.00 C ATOM 949 CG PHE A 139 -3.935 5.316 0.602 1.00 0.00 C ATOM 950 CD1 PHE A 139 -3.140 4.375 1.241 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.826 5.453 -0.771 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.258 3.589 0.527 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.943 4.669 -1.492 1.00 0.00 C ATOM 954 CZ PHE A 139 -2.159 3.736 -0.842 1.00 0.00 C ATOM 0 H PHE A 139 -6.593 6.942 2.977 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.767 6.034 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.821 7.195 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.596 6.154 2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -3.212 4.256 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.437 6.180 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.647 2.860 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.867 4.787 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.470 3.123 -1.404 1.00 0.00 H new ATOM 964 N ALA A 140 -6.218 3.678 2.568 1.00 0.00 N ATOM 965 CA ALA A 140 -6.221 2.248 2.798 1.00 0.00 C ATOM 966 C ALA A 140 -7.581 1.651 2.489 1.00 0.00 C ATOM 967 O ALA A 140 -7.680 0.664 1.771 1.00 0.00 O ATOM 968 CB ALA A 140 -5.815 1.942 4.230 1.00 0.00 C ATOM 0 H ALA A 140 -6.024 4.234 3.401 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.494 1.793 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.822 0.863 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.813 2.329 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.518 2.413 4.916 1.00 0.00 H new ATOM 974 N ASP A 141 -8.629 2.277 2.995 1.00 0.00 N ATOM 975 CA ASP A 141 -9.977 1.769 2.790 1.00 0.00 C ATOM 976 C ASP A 141 -10.334 1.804 1.312 1.00 0.00 C ATOM 977 O ASP A 141 -11.041 0.929 0.805 1.00 0.00 O ATOM 978 CB ASP A 141 -10.989 2.582 3.592 1.00 0.00 C ATOM 979 CG ASP A 141 -12.409 2.105 3.371 1.00 0.00 C ATOM 980 OD1 ASP A 141 -13.166 2.795 2.660 1.00 0.00 O ATOM 981 OD2 ASP A 141 -12.774 1.031 3.901 1.00 0.00 O ATOM 0 H ASP A 141 -8.575 3.133 3.548 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.009 0.737 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.746 2.517 4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.913 3.633 3.312 1.00 0.00 H new ATOM 986 N CYS A 142 -9.806 2.803 0.621 1.00 0.00 N ATOM 987 CA CYS A 142 -10.056 2.963 -0.796 1.00 0.00 C ATOM 988 C CYS A 142 -9.413 1.834 -1.588 1.00 0.00 C ATOM 989 O CYS A 142 -10.083 1.170 -2.377 1.00 0.00 O ATOM 990 CB CYS A 142 -9.536 4.316 -1.281 1.00 0.00 C ATOM 991 SG CYS A 142 -10.534 5.724 -0.744 1.00 0.00 S ATOM 0 H CYS A 142 -9.199 3.516 1.025 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.133 2.925 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.515 4.450 -0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.494 4.308 -2.370 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.221 6.037 0.478 1.00 0.00 H new ATOM 997 N CYS A 143 -8.125 1.595 -1.351 1.00 0.00 N ATOM 998 CA CYS A 143 -7.401 0.576 -2.092 1.00 0.00 C ATOM 999 C CYS A 143 -7.957 -0.817 -1.803 1.00 0.00 C ATOM 1000 O CYS A 143 -7.992 -1.666 -2.690 1.00 0.00 O ATOM 1001 CB CYS A 143 -5.898 0.644 -1.791 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.456 0.448 -0.052 1.00 0.00 S ATOM 0 H CYS A 143 -7.568 2.092 -0.656 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.540 0.774 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.392 -0.130 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.516 1.603 -2.141 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.521 0.161 0.637 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.431 -1.031 -0.577 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.010 -2.320 -0.194 1.00 0.00 C ATOM 1010 C LEU A 144 -10.250 -2.624 -1.023 1.00 0.00 C ATOM 1011 O LEU A 144 -10.494 -3.768 -1.398 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.376 -2.336 1.293 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.219 -2.075 2.255 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -8.690 -2.178 3.695 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.072 -3.031 1.989 1.00 0.00 C ATOM 0 H LEU A 144 -8.426 -0.333 0.166 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.258 -3.086 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.148 -1.586 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.813 -3.305 1.532 1.00 0.00 H new ATOM 0 HG LEU A 144 -7.856 -1.061 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -7.852 -1.989 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.473 -1.441 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.084 -3.178 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.259 -2.827 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.415 -4.057 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.716 -2.897 0.967 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.026 -1.588 -1.317 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.229 -1.764 -2.104 1.00 0.00 C ATOM 1029 C GLY A 145 -11.933 -1.926 -3.580 1.00 0.00 C ATOM 1030 O GLY A 145 -12.794 -2.343 -4.350 1.00 0.00 O ATOM 0 H GLY A 145 -10.842 -0.629 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.769 -2.640 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.884 -0.905 -1.959 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.719 -1.578 -3.975 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.305 -1.690 -5.363 1.00 0.00 C ATOM 1036 C ILE A 146 -9.650 -3.046 -5.631 1.00 0.00 C ATOM 1037 O ILE A 146 -9.860 -3.657 -6.679 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.327 -0.558 -5.728 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -9.963 0.803 -5.437 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -8.927 -0.654 -7.190 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -8.992 1.957 -5.526 1.00 0.00 C ATOM 0 H ILE A 146 -10.000 -1.214 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.196 -1.605 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.430 -0.662 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.779 0.971 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.401 0.784 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.236 0.153 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.443 -1.613 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.815 -0.571 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.513 2.889 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.188 1.813 -4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.573 2.003 -6.531 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.862 -3.516 -4.671 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.139 -4.776 -4.821 1.00 0.00 C ATOM 1055 C VAL A 147 -8.910 -5.929 -4.192 1.00 0.00 C ATOM 1056 O VAL A 147 -8.368 -7.025 -4.018 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.736 -4.701 -4.186 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -5.941 -3.546 -4.773 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -6.839 -4.576 -2.674 1.00 0.00 C ATOM 0 H VAL A 147 -8.707 -3.044 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 147 -8.034 -4.954 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.206 -5.626 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -4.954 -3.511 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.833 -3.688 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.464 -2.609 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -5.839 -4.524 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.390 -3.670 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.362 -5.444 -2.272 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.163 -5.661 -3.843 1.00 0.00 N ATOM 1070 CA GLU A 148 -11.044 -6.656 -3.239 1.00 0.00 C ATOM 1071 C GLU A 148 -11.006 -7.977 -4.008 1.00 0.00 C ATOM 1072 O GLU A 148 -11.185 -8.013 -5.228 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.483 -6.136 -3.201 1.00 0.00 C ATOM 1074 CG GLU A 148 -13.027 -5.748 -4.567 1.00 0.00 C ATOM 1075 CD GLU A 148 -14.527 -5.912 -4.664 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -15.248 -4.893 -4.646 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -14.991 -7.069 -4.766 1.00 0.00 O ATOM 0 H GLU A 148 -10.598 -4.747 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.689 -6.835 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -13.126 -6.902 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.530 -5.270 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -12.764 -4.711 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -12.548 -6.360 -5.332 1.00 0.00 H new ATOM 1084 N PRO A 149 -10.742 -9.082 -3.298 1.00 0.00 N ATOM 1085 CA PRO A 149 -10.760 -10.415 -3.894 1.00 0.00 C ATOM 1086 C PRO A 149 -12.176 -10.838 -4.273 1.00 0.00 C ATOM 1087 O PRO A 149 -12.389 -11.435 -5.327 1.00 0.00 O ATOM 1088 CB PRO A 149 -10.194 -11.315 -2.793 1.00 0.00 C ATOM 1089 CG PRO A 149 -10.424 -10.572 -1.520 1.00 0.00 C ATOM 1090 CD PRO A 149 -10.385 -9.109 -1.869 1.00 0.00 C ATOM 0 HA PRO A 149 -10.186 -10.465 -4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 149 -10.695 -12.283 -2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 149 -9.133 -11.508 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 149 -11.385 -10.841 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 149 -9.658 -10.816 -0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 149 -11.091 -8.535 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 149 -9.397 -8.682 -1.695 1.00 0.00 H new ATOM 1098 N SER A 150 -13.133 -10.511 -3.408 1.00 0.00 N ATOM 1099 CA SER A 150 -14.541 -10.803 -3.650 1.00 0.00 C ATOM 1100 C SER A 150 -15.384 -10.263 -2.493 1.00 0.00 C ATOM 1101 O SER A 150 -16.376 -10.877 -2.097 1.00 0.00 O ATOM 1102 CB SER A 150 -14.757 -12.317 -3.806 1.00 0.00 C ATOM 1103 OG SER A 150 -16.093 -12.619 -4.172 1.00 0.00 O ATOM 0 H SER A 150 -12.954 -10.038 -2.522 1.00 0.00 H new ATOM 0 HA SER A 150 -14.850 -10.316 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 150 -14.075 -12.706 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 150 -14.514 -12.818 -2.869 1.00 0.00 H new ATOM 0 HG SER A 150 -16.710 -12.167 -3.559 1.00 0.00 H new ATOM 1109 N GLN A 151 -14.981 -9.103 -1.962 1.00 0.00 N ATOM 1110 CA GLN A 151 -15.635 -8.510 -0.791 1.00 0.00 C ATOM 1111 C GLN A 151 -15.749 -9.526 0.341 1.00 0.00 C ATOM 1112 O GLN A 151 -16.830 -9.755 0.882 1.00 0.00 O ATOM 1113 CB GLN A 151 -17.025 -7.982 -1.155 1.00 0.00 C ATOM 1114 CG GLN A 151 -16.998 -6.785 -2.089 1.00 0.00 C ATOM 1115 CD GLN A 151 -16.353 -5.572 -1.454 1.00 0.00 C ATOM 1116 OE1 GLN A 151 -15.140 -5.387 -1.531 1.00 0.00 O ATOM 1117 NE2 GLN A 151 -17.157 -4.734 -0.823 1.00 0.00 N ATOM 0 H GLN A 151 -14.202 -8.555 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 151 -15.019 -7.677 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -17.597 -8.783 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -17.550 -7.706 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -16.455 -7.048 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -18.017 -6.537 -2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -18.159 -4.922 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -16.776 -3.899 -0.378 1.00 0.00 H new ATOM 1126 N ASN A 152 -14.630 -10.131 0.692 1.00 0.00 N ATOM 1127 CA ASN A 152 -14.617 -11.199 1.684 1.00 0.00 C ATOM 1128 C ASN A 152 -14.437 -10.640 3.086 1.00 0.00 C ATOM 1129 O ASN A 152 -13.679 -9.691 3.298 1.00 0.00 O ATOM 1130 CB ASN A 152 -13.500 -12.202 1.384 1.00 0.00 C ATOM 1131 CG ASN A 152 -13.653 -12.863 0.029 1.00 0.00 C ATOM 1132 OD1 ASN A 152 -13.144 -12.368 -0.976 1.00 0.00 O ATOM 1133 ND2 ASN A 152 -14.350 -13.988 -0.009 1.00 0.00 N ATOM 0 H ASN A 152 -13.714 -9.903 0.306 1.00 0.00 H new ATOM 0 HA ASN A 152 -15.579 -11.709 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -12.538 -11.691 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -13.489 -12.969 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -14.481 -14.477 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -14.756 -14.366 0.847 1.00 0.00 H new ATOM 1140 N GLU A 153 -15.147 -11.225 4.037 1.00 0.00 N ATOM 1141 CA GLU A 153 -15.019 -10.839 5.432 1.00 0.00 C ATOM 1142 C GLU A 153 -14.054 -11.774 6.145 1.00 0.00 C ATOM 1143 O GLU A 153 -14.029 -12.974 5.869 1.00 0.00 O ATOM 1144 CB GLU A 153 -16.381 -10.861 6.121 1.00 0.00 C ATOM 1145 CG GLU A 153 -17.370 -9.868 5.540 1.00 0.00 C ATOM 1146 CD GLU A 153 -18.700 -9.897 6.257 1.00 0.00 C ATOM 1147 OE1 GLU A 153 -18.850 -9.175 7.266 1.00 0.00 O ATOM 1148 OE2 GLU A 153 -19.600 -10.647 5.821 1.00 0.00 O ATOM 0 H GLU A 153 -15.820 -11.972 3.867 1.00 0.00 H new ATOM 0 HA GLU A 153 -14.626 -9.823 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -16.800 -11.864 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -16.246 -10.649 7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -16.950 -8.864 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -17.524 -10.088 4.484 1.00 0.00 H new ATOM 1155 N GLU A 154 -13.254 -11.210 7.047 1.00 0.00 N ATOM 1156 CA GLU A 154 -12.224 -11.960 7.769 1.00 0.00 C ATOM 1157 C GLU A 154 -11.205 -12.567 6.809 1.00 0.00 C ATOM 1158 O GLU A 154 -10.586 -13.596 7.098 1.00 0.00 O ATOM 1159 CB GLU A 154 -12.843 -13.036 8.663 1.00 0.00 C ATOM 1160 CG GLU A 154 -13.510 -12.468 9.903 1.00 0.00 C ATOM 1161 CD GLU A 154 -12.547 -11.661 10.753 1.00 0.00 C ATOM 1162 OE1 GLU A 154 -12.617 -10.416 10.719 1.00 0.00 O ATOM 1163 OE2 GLU A 154 -11.703 -12.274 11.448 1.00 0.00 O ATOM 0 H GLU A 154 -13.300 -10.223 7.299 1.00 0.00 H new ATOM 0 HA GLU A 154 -11.697 -11.255 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -13.578 -13.599 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -12.067 -13.740 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -14.347 -11.836 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -13.921 -13.283 10.498 1.00 0.00 H new ATOM 1170 N SER A 155 -11.041 -11.923 5.665 1.00 0.00 N ATOM 1171 CA SER A 155 -10.014 -12.299 4.718 1.00 0.00 C ATOM 1172 C SER A 155 -8.714 -11.603 5.090 1.00 0.00 C ATOM 1173 O SER A 155 -8.731 -10.353 5.206 1.00 0.00 O ATOM 1174 CB SER A 155 -10.436 -11.936 3.291 1.00 0.00 C ATOM 1175 OG SER A 155 -10.799 -10.568 3.193 1.00 0.00 O ATOM 1176 OXT SER A 155 -7.693 -12.296 5.272 1.00 0.00 O ATOM 0 H SER A 155 -11.613 -11.131 5.372 1.00 0.00 H new ATOM 0 HA SER A 155 -9.866 -13.378 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 155 -9.618 -12.148 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 155 -11.277 -12.560 2.988 1.00 0.00 H new ATOM 0 HG SER A 155 -11.774 -10.484 3.246 1.00 0.00 H new TER 1182 SER A 155 ATOM 1183 N ASP B 462 -9.694 -8.677 7.222 1.00 0.00 N ATOM 1184 CA ASP B 462 -8.817 -8.823 8.408 1.00 0.00 C ATOM 1185 C ASP B 462 -7.690 -7.809 8.351 1.00 0.00 C ATOM 1186 O ASP B 462 -7.024 -7.655 7.329 1.00 0.00 O ATOM 1187 CB ASP B 462 -8.241 -10.236 8.473 1.00 0.00 C ATOM 1188 CG ASP B 462 -7.196 -10.380 9.557 1.00 0.00 C ATOM 1189 OD1 ASP B 462 -7.571 -10.607 10.725 1.00 0.00 O ATOM 1190 OD2 ASP B 462 -5.994 -10.263 9.245 1.00 0.00 O ATOM 0 HA ASP B 462 -9.412 -8.645 9.304 1.00 0.00 H new ATOM 0 HB2 ASP B 462 -9.048 -10.947 8.652 1.00 0.00 H new ATOM 0 HB3 ASP B 462 -7.800 -10.491 7.510 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.484 -7.131 9.477 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.585 -5.985 9.558 1.00 0.00 C ATOM 1199 C ILE B 463 -5.149 -6.372 9.217 1.00 0.00 C ATOM 1200 O ILE B 463 -4.427 -5.597 8.594 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.621 -5.316 10.962 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -8.017 -4.758 11.284 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -5.588 -4.202 11.061 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -9.016 -5.796 11.753 1.00 0.00 C ATOM 0 H ILE B 463 -7.937 -7.362 10.361 1.00 0.00 H new ATOM 0 HA ILE B 463 -6.942 -5.265 8.821 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.381 -6.089 11.692 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -7.920 -3.992 12.054 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.412 -4.268 10.394 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -5.634 -3.751 12.052 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -4.592 -4.613 10.895 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -5.798 -3.443 10.307 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -9.972 -5.314 11.957 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -9.148 -6.551 10.978 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -8.648 -6.271 12.662 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.742 -7.577 9.600 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.385 -8.038 9.318 1.00 0.00 C ATOM 1218 C ARG B 464 -3.230 -8.300 7.828 1.00 0.00 C ATOM 1219 O ARG B 464 -2.203 -7.978 7.227 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.062 -9.298 10.120 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.058 -9.076 11.623 1.00 0.00 C ATOM 1222 CD ARG B 464 -1.910 -8.179 12.056 1.00 0.00 C ATOM 1223 NE ARG B 464 -2.029 -7.791 13.460 1.00 0.00 N ATOM 1224 CZ ARG B 464 -1.009 -7.710 14.310 1.00 0.00 C ATOM 1225 NH1 ARG B 464 0.227 -8.005 13.915 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -1.232 -7.334 15.564 1.00 0.00 N ATOM 0 H ARG B 464 -5.324 -8.247 10.102 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.682 -7.260 9.617 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -3.791 -10.071 9.877 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.086 -9.674 9.814 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -4.004 -8.628 11.927 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -2.981 -10.037 12.132 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -0.964 -8.698 11.900 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -1.890 -7.286 11.432 1.00 0.00 H new ATOM 0 HE ARG B 464 -2.959 -7.567 13.813 1.00 0.00 H new ATOM 0 HH11 ARG B 464 0.399 -8.296 12.953 1.00 0.00 H new ATOM 0 HH12 ARG B 464 1.002 -7.940 14.574 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -2.179 -7.110 15.868 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -0.456 -7.269 16.223 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.272 -8.870 7.240 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.330 -9.072 5.802 1.00 0.00 C ATOM 1242 C HIS B 465 -4.299 -7.732 5.085 1.00 0.00 C ATOM 1243 O HIS B 465 -3.500 -7.516 4.177 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.607 -9.836 5.428 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.974 -9.748 3.974 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.427 -10.552 3.007 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -6.832 -8.921 3.330 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -5.920 -10.221 1.828 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -6.782 -9.236 1.995 1.00 0.00 N ATOM 0 H HIS B 465 -5.095 -9.203 7.743 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.464 -9.658 5.495 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.481 -10.885 5.697 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.435 -9.451 6.024 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.443 -8.155 3.784 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.661 -10.679 0.885 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.321 -8.784 1.256 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.179 -6.844 5.510 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.345 -5.553 4.871 1.00 0.00 C ATOM 1260 C GLU B 466 -4.063 -4.732 4.946 1.00 0.00 C ATOM 1261 O GLU B 466 -3.650 -4.143 3.955 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.517 -4.816 5.512 1.00 0.00 C ATOM 1263 CG GLU B 466 -7.853 -5.500 5.254 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.933 -5.086 6.230 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -9.643 -5.977 6.749 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.074 -3.879 6.494 1.00 0.00 O ATOM 0 H GLU B 466 -5.797 -6.998 6.306 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.563 -5.706 3.814 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.352 -4.744 6.587 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.555 -3.797 5.127 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.181 -5.271 4.240 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -7.717 -6.580 5.309 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.422 -4.730 6.111 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.157 -4.018 6.306 1.00 0.00 C ATOM 1275 C ARG B 467 -1.099 -4.452 5.296 1.00 0.00 C ATOM 1276 O ARG B 467 -0.360 -3.623 4.769 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.634 -4.246 7.724 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.223 -3.300 8.754 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.894 -3.747 10.169 1.00 0.00 C ATOM 1280 NE ARG B 467 -0.482 -4.110 10.327 1.00 0.00 N ATOM 1281 CZ ARG B 467 0.100 -4.344 11.501 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -0.589 -4.206 12.624 1.00 0.00 N ATOM 1283 NH2 ARG B 467 1.370 -4.716 11.550 1.00 0.00 N ATOM 0 H ARG B 467 -3.759 -5.217 6.942 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.355 -2.957 6.153 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.851 -5.272 8.021 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.549 -4.137 7.723 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -1.837 -2.294 8.589 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.305 -3.251 8.629 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -2.141 -2.947 10.866 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.518 -4.602 10.431 1.00 0.00 H new ATOM 0 HE ARG B 467 0.089 -4.188 9.486 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -1.567 -3.920 12.590 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -0.141 -4.386 13.523 1.00 0.00 H new ATOM 0 HH21 ARG B 467 1.904 -4.824 10.687 1.00 0.00 H new ATOM 0 HH22 ARG B 467 1.815 -4.895 12.450 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.044 -5.745 5.010 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.042 -6.271 4.095 1.00 0.00 C ATOM 1299 C ASN B 468 -0.461 -5.968 2.665 1.00 0.00 C ATOM 1300 O ASN B 468 0.371 -5.748 1.788 1.00 0.00 O ATOM 1301 CB ASN B 468 0.152 -7.780 4.311 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.230 -8.618 3.105 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.602 -8.921 2.251 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.492 -8.994 3.028 1.00 0.00 N ATOM 0 H ASN B 468 -1.677 -6.445 5.396 1.00 0.00 H new ATOM 0 HA ASN B 468 0.916 -5.789 4.291 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.195 -7.972 4.561 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.444 -8.096 5.167 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.809 -9.557 2.239 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.151 -8.722 3.758 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.768 -5.937 2.452 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.333 -5.567 1.169 1.00 0.00 C ATOM 1313 C VAL B 469 -1.985 -4.119 0.836 1.00 0.00 C ATOM 1314 O VAL B 469 -1.726 -3.782 -0.322 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.864 -5.777 1.168 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.557 -4.832 0.204 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.193 -7.219 0.822 1.00 0.00 C ATOM 0 H VAL B 469 -2.462 -6.167 3.163 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.903 -6.210 0.401 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.233 -5.556 2.170 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.632 -5.009 0.231 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.352 -3.802 0.494 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.186 -5.006 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.274 -7.356 0.824 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.799 -7.455 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.742 -7.882 1.560 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.955 -3.273 1.860 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.564 -1.884 1.685 1.00 0.00 C ATOM 1329 C ILE B 470 -0.134 -1.810 1.160 1.00 0.00 C ATOM 1330 O ILE B 470 0.180 -0.987 0.302 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.659 -1.078 2.999 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.016 -1.279 3.677 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.431 0.397 2.722 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.197 -0.908 2.809 1.00 0.00 C ATOM 0 H ILE B 470 -2.197 -3.527 2.818 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.258 -1.444 0.969 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.886 -1.443 3.675 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -3.111 -2.323 3.975 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.047 -0.683 4.589 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.500 0.957 3.654 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.441 0.537 2.287 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.188 0.758 2.025 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.122 -1.078 3.360 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.129 0.144 2.532 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.193 -1.522 1.908 1.00 0.00 H new ATOM 1346 N LEU B 471 0.719 -2.701 1.664 1.00 0.00 N ATOM 1347 CA LEU B 471 2.111 -2.771 1.228 1.00 0.00 C ATOM 1348 C LEU B 471 2.191 -3.042 -0.271 1.00 0.00 C ATOM 1349 O LEU B 471 3.062 -2.518 -0.962 1.00 0.00 O ATOM 1350 CB LEU B 471 2.861 -3.867 1.993 1.00 0.00 C ATOM 1351 CG LEU B 471 2.879 -3.712 3.516 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.585 -4.894 4.163 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.553 -2.408 3.914 1.00 0.00 C ATOM 0 H LEU B 471 0.468 -3.386 2.377 1.00 0.00 H new ATOM 0 HA LEU B 471 2.579 -1.809 1.439 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.412 -4.829 1.748 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.890 -3.896 1.636 1.00 0.00 H new ATOM 0 HG LEU B 471 1.848 -3.688 3.870 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.589 -4.767 5.246 1.00 0.00 H new ATOM 0 HD12 LEU B 471 3.061 -5.815 3.907 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.612 -4.948 3.801 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.556 -2.317 5.000 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.579 -2.402 3.547 1.00 0.00 H new ATOM 0 HD23 LEU B 471 3.008 -1.570 3.481 1.00 0.00 H new ATOM 1365 N GLN B 472 1.278 -3.867 -0.769 1.00 0.00 N ATOM 1366 CA GLN B 472 1.200 -4.142 -2.198 1.00 0.00 C ATOM 1367 C GLN B 472 0.746 -2.901 -2.962 1.00 0.00 C ATOM 1368 O GLN B 472 1.314 -2.556 -3.996 1.00 0.00 O ATOM 1369 CB GLN B 472 0.242 -5.301 -2.487 1.00 0.00 C ATOM 1370 CG GLN B 472 0.884 -6.679 -2.411 1.00 0.00 C ATOM 1371 CD GLN B 472 1.264 -7.084 -1.003 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.371 -6.813 -0.543 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.346 -7.737 -0.312 1.00 0.00 N ATOM 0 H GLN B 472 0.583 -4.356 -0.206 1.00 0.00 H new ATOM 0 HA GLN B 472 2.199 -4.423 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.585 -5.259 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.184 -5.166 -3.481 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.194 -7.417 -2.821 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.775 -6.693 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.560 -7.941 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.544 -8.037 0.643 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.268 -2.230 -2.428 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.847 -1.051 -3.067 1.00 0.00 C ATOM 1384 C CYS B 473 0.175 0.078 -3.166 1.00 0.00 C ATOM 1385 O CYS B 473 0.452 0.588 -4.254 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.072 -0.589 -2.275 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.327 -1.874 -2.058 1.00 0.00 S ATOM 0 H CYS B 473 -0.711 -2.485 -1.545 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.149 -1.318 -4.080 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.749 -0.240 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.522 0.263 -2.784 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.832 -2.850 -1.357 1.00 0.00 H new ATOM 1393 N VAL B 474 0.726 0.454 -2.018 1.00 0.00 N ATOM 1394 CA VAL B 474 1.764 1.467 -1.928 1.00 0.00 C ATOM 1395 C VAL B 474 2.889 1.216 -2.931 1.00 0.00 C ATOM 1396 O VAL B 474 3.230 2.092 -3.728 1.00 0.00 O ATOM 1397 CB VAL B 474 2.349 1.491 -0.499 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.563 2.395 -0.412 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.288 1.922 0.501 1.00 0.00 C ATOM 0 H VAL B 474 0.460 0.059 -1.116 1.00 0.00 H new ATOM 0 HA VAL B 474 1.308 2.429 -2.163 1.00 0.00 H new ATOM 0 HB VAL B 474 2.672 0.479 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.949 2.388 0.607 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.334 2.036 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.280 3.411 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.716 1.934 1.503 1.00 0.00 H new ATOM 0 HG22 VAL B 474 0.932 2.920 0.247 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.454 1.221 0.471 1.00 0.00 H new ATOM 1409 N ARG B 475 3.433 0.006 -2.910 1.00 0.00 N ATOM 1410 CA ARG B 475 4.594 -0.324 -3.727 1.00 0.00 C ATOM 1411 C ARG B 475 4.250 -0.373 -5.211 1.00 0.00 C ATOM 1412 O ARG B 475 5.125 -0.210 -6.059 1.00 0.00 O ATOM 1413 CB ARG B 475 5.207 -1.649 -3.275 1.00 0.00 C ATOM 1414 CG ARG B 475 5.855 -1.565 -1.904 1.00 0.00 C ATOM 1415 CD ARG B 475 6.531 -2.869 -1.519 1.00 0.00 C ATOM 1416 NE ARG B 475 5.574 -3.954 -1.315 1.00 0.00 N ATOM 1417 CZ ARG B 475 5.929 -5.220 -1.093 1.00 0.00 C ATOM 1418 NH1 ARG B 475 7.214 -5.553 -1.055 1.00 0.00 N ATOM 1419 NH2 ARG B 475 5.004 -6.153 -0.907 1.00 0.00 N ATOM 0 H ARG B 475 3.089 -0.764 -2.336 1.00 0.00 H new ATOM 0 HA ARG B 475 5.327 0.470 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG B 475 4.432 -2.415 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG B 475 5.952 -1.966 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.589 -0.759 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG B 475 5.099 -1.314 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG B 475 7.237 -3.153 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.108 -2.720 -0.606 1.00 0.00 H new ATOM 0 HE ARG B 475 4.579 -3.731 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG B 475 7.930 -4.840 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG B 475 7.485 -6.522 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG B 475 4.015 -5.903 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG B 475 5.282 -7.120 -0.738 1.00 0.00 H new ATOM 1433 N TYR B 476 2.981 -0.591 -5.529 1.00 0.00 N ATOM 1434 CA TYR B 476 2.540 -0.582 -6.911 1.00 0.00 C ATOM 1435 C TYR B 476 2.563 0.842 -7.457 1.00 0.00 C ATOM 1436 O TYR B 476 3.091 1.097 -8.540 1.00 0.00 O ATOM 1437 CB TYR B 476 1.134 -1.193 -7.023 1.00 0.00 C ATOM 1438 CG TYR B 476 0.292 -0.597 -8.131 1.00 0.00 C ATOM 1439 CD1 TYR B 476 -0.579 0.444 -7.858 1.00 0.00 C ATOM 1440 CD2 TYR B 476 0.383 -1.052 -9.439 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -1.339 1.022 -8.854 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -0.378 -0.483 -10.445 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.237 0.556 -10.146 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.992 1.136 -11.141 1.00 0.00 O ATOM 0 H TYR B 476 2.244 -0.775 -4.849 1.00 0.00 H new ATOM 0 HA TYR B 476 3.221 -1.188 -7.508 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.227 -2.266 -7.188 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.614 -1.061 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR B 476 -0.665 0.811 -6.846 1.00 0.00 H new ATOM 0 HD2 TYR B 476 1.057 -1.862 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -2.010 1.836 -8.622 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -0.301 -0.849 -11.458 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.831 0.641 -11.245 1.00 0.00 H new ATOM 1454 N ILE B 477 2.010 1.767 -6.687 1.00 0.00 N ATOM 1455 CA ILE B 477 1.907 3.157 -7.106 1.00 0.00 C ATOM 1456 C ILE B 477 3.288 3.773 -7.251 1.00 0.00 C ATOM 1457 O ILE B 477 3.641 4.291 -8.309 1.00 0.00 O ATOM 1458 CB ILE B 477 1.071 3.970 -6.101 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.314 3.339 -5.965 1.00 0.00 C ATOM 1460 CG2 ILE B 477 0.961 5.424 -6.546 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -1.140 3.909 -4.842 1.00 0.00 C ATOM 0 H ILE B 477 1.623 1.578 -5.762 1.00 0.00 H new ATOM 0 HA ILE B 477 1.407 3.182 -8.074 1.00 0.00 H new ATOM 0 HB ILE B 477 1.565 3.956 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.855 3.469 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.199 2.266 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.366 5.982 -5.823 1.00 0.00 H new ATOM 0 HG22 ILE B 477 1.957 5.861 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.480 5.470 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -2.108 3.409 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.623 3.755 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.288 4.977 -5.005 1.00 0.00 H new ATOM 1473 N ILE B 478 4.077 3.678 -6.190 1.00 0.00 N ATOM 1474 CA ILE B 478 5.446 4.189 -6.183 1.00 0.00 C ATOM 1475 C ILE B 478 6.266 3.620 -7.336 1.00 0.00 C ATOM 1476 O ILE B 478 7.202 4.262 -7.819 1.00 0.00 O ATOM 1477 CB ILE B 478 6.145 3.847 -4.853 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.325 4.391 -3.684 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.566 4.402 -4.814 1.00 0.00 C ATOM 1480 CD1 ILE B 478 5.950 4.118 -2.344 1.00 0.00 C ATOM 0 H ILE B 478 3.790 3.247 -5.311 1.00 0.00 H new ATOM 0 HA ILE B 478 5.384 5.271 -6.300 1.00 0.00 H new ATOM 0 HB ILE B 478 6.213 2.762 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.199 5.467 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.329 3.948 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.032 4.144 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.147 3.973 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.536 5.486 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.318 4.530 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.051 3.042 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE B 478 6.934 4.584 -2.300 1.00 0.00 H new ATOM 1492 N LYS B 479 5.884 2.438 -7.797 1.00 0.00 N ATOM 1493 CA LYS B 479 6.663 1.721 -8.794 1.00 0.00 C ATOM 1494 C LYS B 479 6.588 2.390 -10.165 1.00 0.00 C ATOM 1495 O LYS B 479 7.531 2.308 -10.948 1.00 0.00 O ATOM 1496 CB LYS B 479 6.204 0.266 -8.879 1.00 0.00 C ATOM 1497 CG LYS B 479 7.173 -0.633 -9.629 1.00 0.00 C ATOM 1498 CD LYS B 479 6.747 -2.096 -9.591 1.00 0.00 C ATOM 1499 CE LYS B 479 7.216 -2.813 -8.329 1.00 0.00 C ATOM 1500 NZ LYS B 479 6.543 -2.325 -7.092 1.00 0.00 N ATOM 0 H LYS B 479 5.038 1.955 -7.496 1.00 0.00 H new ATOM 0 HA LYS B 479 7.706 1.746 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.067 -0.123 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.232 0.228 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.244 -0.304 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS B 479 8.168 -0.534 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS B 479 5.661 -2.156 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS B 479 7.147 -2.609 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS B 479 7.033 -3.882 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS B 479 8.293 -2.683 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 6.421 -3.116 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 7.126 -1.587 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 5.612 -1.931 -7.336 1.00 0.00 H new ATOM 1514 N LYS B 480 5.474 3.033 -10.476 1.00 0.00 N ATOM 1515 CA LYS B 480 5.386 3.762 -11.736 1.00 0.00 C ATOM 1516 C LYS B 480 5.203 5.262 -11.533 1.00 0.00 C ATOM 1517 O LYS B 480 5.445 6.047 -12.449 1.00 0.00 O ATOM 1518 CB LYS B 480 4.254 3.218 -12.612 1.00 0.00 C ATOM 1519 CG LYS B 480 2.958 2.955 -11.862 1.00 0.00 C ATOM 1520 CD LYS B 480 2.756 1.467 -11.626 1.00 0.00 C ATOM 1521 CE LYS B 480 2.472 0.732 -12.927 1.00 0.00 C ATOM 1522 NZ LYS B 480 2.308 -0.731 -12.723 1.00 0.00 N ATOM 0 H LYS B 480 4.638 3.068 -9.893 1.00 0.00 H new ATOM 0 HA LYS B 480 6.339 3.609 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS B 480 4.058 3.928 -13.416 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.585 2.291 -13.080 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.974 3.479 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS B 480 2.118 3.354 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS B 480 3.646 1.048 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS B 480 1.928 1.316 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS B 480 1.568 1.137 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS B 480 3.288 0.910 -13.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 2.049 -1.180 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 3.202 -1.136 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 1.558 -0.902 -12.023 1.00 0.00 H new ATOM 1536 N ASP B 481 4.796 5.666 -10.342 1.00 0.00 N ATOM 1537 CA ASP B 481 4.483 7.073 -10.098 1.00 0.00 C ATOM 1538 C ASP B 481 5.690 7.847 -9.588 1.00 0.00 C ATOM 1539 O ASP B 481 6.132 8.813 -10.210 1.00 0.00 O ATOM 1540 CB ASP B 481 3.317 7.222 -9.121 1.00 0.00 C ATOM 1541 CG ASP B 481 2.840 8.658 -9.016 1.00 0.00 C ATOM 1542 OD1 ASP B 481 2.958 9.257 -7.929 1.00 0.00 O ATOM 1543 OD2 ASP B 481 2.337 9.195 -10.024 1.00 0.00 O ATOM 0 H ASP B 481 4.674 5.053 -9.536 1.00 0.00 H new ATOM 0 HA ASP B 481 4.192 7.497 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP B 481 2.491 6.589 -9.444 1.00 0.00 H new ATOM 0 HB3 ASP B 481 3.623 6.869 -8.136 1.00 0.00 H new ATOM 1548 N PHE B 482 6.228 7.402 -8.461 1.00 0.00 N ATOM 1549 CA PHE B 482 7.230 8.175 -7.736 1.00 0.00 C ATOM 1550 C PHE B 482 8.644 7.907 -8.235 1.00 0.00 C ATOM 1551 O PHE B 482 9.128 8.576 -9.144 1.00 0.00 O ATOM 1552 CB PHE B 482 7.152 7.884 -6.237 1.00 0.00 C ATOM 1553 CG PHE B 482 5.941 8.455 -5.558 1.00 0.00 C ATOM 1554 CD1 PHE B 482 6.023 9.656 -4.877 1.00 0.00 C ATOM 1555 CD2 PHE B 482 4.728 7.791 -5.589 1.00 0.00 C ATOM 1556 CE1 PHE B 482 4.921 10.182 -4.238 1.00 0.00 C ATOM 1557 CE2 PHE B 482 3.621 8.311 -4.955 1.00 0.00 C ATOM 1558 CZ PHE B 482 3.717 9.508 -4.278 1.00 0.00 C ATOM 0 H PHE B 482 5.988 6.510 -8.028 1.00 0.00 H new ATOM 0 HA PHE B 482 7.007 9.226 -7.919 1.00 0.00 H new ATOM 0 HB2 PHE B 482 7.162 6.804 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE B 482 8.045 8.281 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE B 482 6.962 10.188 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE B 482 4.648 6.852 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE B 482 4.999 11.119 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE B 482 2.680 7.782 -4.988 1.00 0.00 H new ATOM 0 HZ PHE B 482 2.851 9.918 -3.779 1.00 0.00 H new ATOM 1568 N PHE B 483 9.303 6.923 -7.636 1.00 0.00 N ATOM 1569 CA PHE B 483 10.699 6.643 -7.948 1.00 0.00 C ATOM 1570 C PHE B 483 10.812 5.441 -8.867 1.00 0.00 C ATOM 1571 O PHE B 483 11.734 5.341 -9.674 1.00 0.00 O ATOM 1572 CB PHE B 483 11.496 6.377 -6.670 1.00 0.00 C ATOM 1573 CG PHE B 483 11.430 7.489 -5.666 1.00 0.00 C ATOM 1574 CD1 PHE B 483 12.329 8.540 -5.718 1.00 0.00 C ATOM 1575 CD2 PHE B 483 10.472 7.479 -4.667 1.00 0.00 C ATOM 1576 CE1 PHE B 483 12.272 9.563 -4.792 1.00 0.00 C ATOM 1577 CE2 PHE B 483 10.409 8.497 -3.739 1.00 0.00 C ATOM 1578 CZ PHE B 483 11.310 9.542 -3.801 1.00 0.00 C ATOM 0 H PHE B 483 8.895 6.307 -6.933 1.00 0.00 H new ATOM 0 HA PHE B 483 11.109 7.519 -8.450 1.00 0.00 H new ATOM 0 HB2 PHE B 483 11.126 5.462 -6.208 1.00 0.00 H new ATOM 0 HB3 PHE B 483 12.539 6.202 -6.934 1.00 0.00 H new ATOM 0 HD1 PHE B 483 13.083 8.560 -6.491 1.00 0.00 H new ATOM 0 HD2 PHE B 483 9.765 6.664 -4.614 1.00 0.00 H new ATOM 0 HE1 PHE B 483 12.979 10.378 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE B 483 9.656 8.477 -2.965 1.00 0.00 H new ATOM 0 HZ PHE B 483 11.262 10.341 -3.076 1.00 0.00 H new ATOM 1588 N GLY B 484 9.871 4.525 -8.719 1.00 0.00 N ATOM 1589 CA GLY B 484 9.866 3.326 -9.527 1.00 0.00 C ATOM 1590 C GLY B 484 10.709 2.232 -8.917 1.00 0.00 C ATOM 1591 O GLY B 484 10.940 1.192 -9.531 1.00 0.00 O ATOM 0 H GLY B 484 9.105 4.591 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY B 484 8.842 2.972 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY B 484 10.240 3.559 -10.524 1.00 0.00 H new ATOM 1595 N LEU B 485 11.157 2.468 -7.696 1.00 0.00 N ATOM 1596 CA LEU B 485 12.035 1.541 -7.015 1.00 0.00 C ATOM 1597 C LEU B 485 11.250 0.442 -6.323 1.00 0.00 C ATOM 1598 O LEU B 485 10.191 0.681 -5.747 1.00 0.00 O ATOM 1599 CB LEU B 485 12.886 2.286 -5.995 1.00 0.00 C ATOM 1600 CG LEU B 485 13.731 3.415 -6.577 1.00 0.00 C ATOM 1601 CD1 LEU B 485 14.417 4.191 -5.467 1.00 0.00 C ATOM 1602 CD2 LEU B 485 14.753 2.857 -7.553 1.00 0.00 C ATOM 0 H LEU B 485 10.923 3.301 -7.155 1.00 0.00 H new ATOM 0 HA LEU B 485 12.680 1.078 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU B 485 12.232 2.698 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU B 485 13.546 1.573 -5.502 1.00 0.00 H new ATOM 0 HG LEU B 485 13.076 4.099 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU B 485 15.016 4.993 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU B 485 13.665 4.617 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU B 485 15.063 3.521 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU B 485 15.350 3.673 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU B 485 15.406 2.155 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU B 485 14.238 2.343 -8.364 1.00 0.00 H new ATOM 1614 N ASP B 486 11.782 -0.759 -6.404 1.00 0.00 N ATOM 1615 CA ASP B 486 11.227 -1.913 -5.711 1.00 0.00 C ATOM 1616 C ASP B 486 12.331 -2.590 -4.913 1.00 0.00 C ATOM 1617 O ASP B 486 12.093 -3.528 -4.153 1.00 0.00 O ATOM 1618 CB ASP B 486 10.616 -2.903 -6.706 1.00 0.00 C ATOM 1619 CG ASP B 486 11.661 -3.630 -7.532 1.00 0.00 C ATOM 1620 OD1 ASP B 486 12.213 -3.018 -8.472 1.00 0.00 O ATOM 1621 OD2 ASP B 486 11.933 -4.816 -7.249 1.00 0.00 O ATOM 0 H ASP B 486 12.615 -0.968 -6.954 1.00 0.00 H new ATOM 0 HA ASP B 486 10.436 -1.579 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP B 486 10.017 -3.634 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP B 486 9.940 -2.369 -7.373 1.00 0.00 H new ATOM 1626 N THR B 487 13.543 -2.079 -5.080 1.00 0.00 N ATOM 1627 CA THR B 487 14.715 -2.623 -4.416 1.00 0.00 C ATOM 1628 C THR B 487 14.854 -2.052 -2.999 1.00 0.00 C ATOM 1629 O THR B 487 15.955 -1.936 -2.458 1.00 0.00 O ATOM 1630 CB THR B 487 15.988 -2.338 -5.244 1.00 0.00 C ATOM 1631 OG1 THR B 487 17.131 -2.975 -4.658 1.00 0.00 O ATOM 1632 CG2 THR B 487 16.231 -0.844 -5.347 1.00 0.00 C ATOM 0 H THR B 487 13.739 -1.277 -5.679 1.00 0.00 H new ATOM 0 HA THR B 487 14.590 -3.703 -4.336 1.00 0.00 H new ATOM 0 HB THR B 487 15.836 -2.744 -6.244 1.00 0.00 H new ATOM 0 HG1 THR B 487 17.122 -2.835 -3.688 1.00 0.00 H new ATOM 0 HG21 THR B 487 17.131 -0.661 -5.933 1.00 0.00 H new ATOM 0 HG22 THR B 487 15.379 -0.369 -5.833 1.00 0.00 H new ATOM 0 HG23 THR B 487 16.358 -0.426 -4.348 1.00 0.00 H new ATOM 1640 N ASN B 488 13.722 -1.710 -2.399 1.00 0.00 N ATOM 1641 CA ASN B 488 13.704 -1.187 -1.049 1.00 0.00 C ATOM 1642 C ASN B 488 13.608 -2.330 -0.062 1.00 0.00 C ATOM 1643 O ASN B 488 12.565 -2.979 0.052 1.00 0.00 O ATOM 1644 CB ASN B 488 12.557 -0.206 -0.851 1.00 0.00 C ATOM 1645 CG ASN B 488 12.937 1.180 -1.306 1.00 0.00 C ATOM 1646 OD1 ASN B 488 13.413 2.000 -0.520 1.00 0.00 O ATOM 1647 ND2 ASN B 488 12.753 1.450 -2.582 1.00 0.00 N ATOM 0 H ASN B 488 12.802 -1.788 -2.833 1.00 0.00 H new ATOM 0 HA ASN B 488 14.632 -0.642 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN B 488 11.684 -0.547 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN B 488 12.275 -0.181 0.201 1.00 0.00 H new ATOM 0 HD21 ASN B 488 13.008 2.366 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN B 488 12.356 0.743 -3.201 1.00 0.00 H new ATOM 1654 N SER B 489 14.719 -2.578 0.617 1.00 0.00 N ATOM 1655 CA SER B 489 14.860 -3.692 1.545 1.00 0.00 C ATOM 1656 C SER B 489 14.924 -5.017 0.783 1.00 0.00 C ATOM 1657 O SER B 489 14.649 -5.063 -0.422 1.00 0.00 O ATOM 1658 CB SER B 489 13.721 -3.702 2.566 1.00 0.00 C ATOM 1659 OG SER B 489 13.716 -2.506 3.331 1.00 0.00 O ATOM 0 H SER B 489 15.559 -2.004 0.538 1.00 0.00 H new ATOM 0 HA SER B 489 15.795 -3.566 2.092 1.00 0.00 H new ATOM 0 HB2 SER B 489 12.767 -3.813 2.051 1.00 0.00 H new ATOM 0 HB3 SER B 489 13.828 -4.561 3.228 1.00 0.00 H new ATOM 0 HG SER B 489 13.250 -1.802 2.834 1.00 0.00 H new ATOM 1665 N ALA B 490 15.312 -6.083 1.486 1.00 0.00 N ATOM 1666 CA ALA B 490 15.469 -7.406 0.881 1.00 0.00 C ATOM 1667 C ALA B 490 16.546 -7.384 -0.197 1.00 0.00 C ATOM 1668 O ALA B 490 16.450 -8.079 -1.209 1.00 0.00 O ATOM 1669 CB ALA B 490 14.151 -7.904 0.308 1.00 0.00 C ATOM 0 H ALA B 490 15.525 -6.054 2.483 1.00 0.00 H new ATOM 0 HA ALA B 490 15.781 -8.097 1.664 1.00 0.00 H new ATOM 0 HB1 ALA B 490 14.296 -8.889 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA B 490 13.410 -7.970 1.104 1.00 0.00 H new ATOM 0 HB3 ALA B 490 13.801 -7.210 -0.456 1.00 0.00 H new ATOM 1675 N LYS B 491 17.573 -6.580 0.029 1.00 0.00 N ATOM 1676 CA LYS B 491 18.666 -6.457 -0.920 1.00 0.00 C ATOM 1677 C LYS B 491 19.652 -7.593 -0.715 1.00 0.00 C ATOM 1678 O LYS B 491 20.157 -7.800 0.391 1.00 0.00 O ATOM 1679 CB LYS B 491 19.386 -5.112 -0.771 1.00 0.00 C ATOM 1680 CG LYS B 491 18.480 -3.899 -0.932 1.00 0.00 C ATOM 1681 CD LYS B 491 19.284 -2.611 -1.072 1.00 0.00 C ATOM 1682 CE LYS B 491 20.210 -2.373 0.114 1.00 0.00 C ATOM 1683 NZ LYS B 491 19.466 -2.143 1.381 1.00 0.00 N ATOM 0 H LYS B 491 17.672 -6.002 0.864 1.00 0.00 H new ATOM 0 HA LYS B 491 18.249 -6.508 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS B 491 19.858 -5.072 0.211 1.00 0.00 H new ATOM 0 HB3 LYS B 491 20.185 -5.056 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS B 491 17.848 -4.031 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS B 491 17.817 -3.823 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS B 491 19.874 -2.652 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS B 491 18.600 -1.768 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS B 491 20.869 -3.233 0.234 1.00 0.00 H new ATOM 0 HE3 LYS B 491 20.845 -1.511 -0.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 491 20.141 -1.970 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 491 18.844 -1.317 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 491 18.893 -2.982 1.604 1.00 0.00 H new ATOM 1697 N SER B 492 19.899 -8.348 -1.764 1.00 0.00 N ATOM 1698 CA SER B 492 20.827 -9.456 -1.700 1.00 0.00 C ATOM 1699 C SER B 492 21.537 -9.624 -3.038 1.00 0.00 C ATOM 1700 O SER B 492 21.028 -10.272 -3.950 1.00 0.00 O ATOM 1701 CB SER B 492 20.074 -10.727 -1.307 1.00 0.00 C ATOM 1702 OG SER B 492 19.478 -10.584 -0.025 1.00 0.00 O ATOM 0 H SER B 492 19.466 -8.213 -2.678 1.00 0.00 H new ATOM 0 HA SER B 492 21.586 -9.256 -0.944 1.00 0.00 H new ATOM 0 HB2 SER B 492 19.305 -10.944 -2.048 1.00 0.00 H new ATOM 0 HB3 SER B 492 20.760 -11.574 -1.302 1.00 0.00 H new ATOM 0 HG SER B 492 19.000 -11.407 0.207 1.00 0.00 H new ATOM 1708 N LYS B 493 22.722 -9.034 -3.146 1.00 0.00 N ATOM 1709 CA LYS B 493 23.466 -9.011 -4.404 1.00 0.00 C ATOM 1710 C LYS B 493 24.240 -10.307 -4.626 1.00 0.00 C ATOM 1711 O LYS B 493 25.136 -10.375 -5.471 1.00 0.00 O ATOM 1712 CB LYS B 493 24.420 -7.813 -4.431 1.00 0.00 C ATOM 1713 CG LYS B 493 25.436 -7.823 -3.303 1.00 0.00 C ATOM 1714 CD LYS B 493 26.273 -6.559 -3.292 1.00 0.00 C ATOM 1715 CE LYS B 493 27.316 -6.596 -2.187 1.00 0.00 C ATOM 1716 NZ LYS B 493 28.121 -5.348 -2.142 1.00 0.00 N ATOM 0 H LYS B 493 23.192 -8.562 -2.374 1.00 0.00 H new ATOM 0 HA LYS B 493 22.744 -8.915 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS B 493 24.948 -7.800 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS B 493 23.837 -6.893 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS B 493 24.919 -7.926 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS B 493 26.088 -8.690 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS B 493 26.766 -6.439 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS B 493 25.626 -5.693 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS B 493 26.822 -6.744 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS B 493 27.977 -7.449 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 493 28.820 -5.414 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 493 28.613 -5.219 -3.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 493 27.494 -4.536 -1.970 1.00 0.00 H new ATOM 1730 N ASP B 494 23.883 -11.333 -3.871 1.00 0.00 N ATOM 1731 CA ASP B 494 24.506 -12.642 -4.012 1.00 0.00 C ATOM 1732 C ASP B 494 23.885 -13.397 -5.176 1.00 0.00 C ATOM 1733 O ASP B 494 24.460 -14.359 -5.688 1.00 0.00 O ATOM 1734 CB ASP B 494 24.370 -13.455 -2.724 1.00 0.00 C ATOM 1735 CG ASP B 494 25.351 -13.016 -1.659 1.00 0.00 C ATOM 1736 OD1 ASP B 494 26.495 -13.521 -1.655 1.00 0.00 O ATOM 1737 OD2 ASP B 494 24.990 -12.160 -0.824 1.00 0.00 O ATOM 0 H ASP B 494 23.162 -11.286 -3.151 1.00 0.00 H new ATOM 0 HA ASP B 494 25.567 -12.493 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP B 494 23.354 -13.357 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP B 494 24.527 -14.511 -2.946 1.00 0.00 H new ATOM 1742 N VAL B 495 22.711 -12.954 -5.592 1.00 0.00 N ATOM 1743 CA VAL B 495 22.040 -13.538 -6.738 1.00 0.00 C ATOM 1744 C VAL B 495 22.275 -12.674 -7.976 1.00 0.00 C ATOM 1745 O VAL B 495 21.728 -11.556 -8.043 1.00 0.00 O ATOM 1746 CB VAL B 495 20.523 -13.741 -6.480 1.00 0.00 C ATOM 1747 CG1 VAL B 495 19.869 -12.470 -5.957 1.00 0.00 C ATOM 1748 CG2 VAL B 495 19.820 -14.226 -7.741 1.00 0.00 C ATOM 1749 OXT VAL B 495 23.032 -13.110 -8.871 1.00 0.00 O ATOM 0 H VAL B 495 22.202 -12.188 -5.150 1.00 0.00 H new ATOM 0 HA VAL B 495 22.466 -14.526 -6.910 1.00 0.00 H new ATOM 0 HB VAL B 495 20.421 -14.506 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL B 495 18.807 -12.650 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL B 495 20.341 -12.177 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL B 495 19.989 -11.671 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL B 495 18.758 -14.361 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL B 495 19.946 -13.489 -8.534 1.00 0.00 H new ATOM 0 HG23 VAL B 495 20.253 -15.175 -8.056 1.00 0.00 H new TER 1759 VAL B 495