USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 981 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= 1.13 K(o=1.1,f=-0.039) USER MOD Set 2.1: A 29 ASN : amide:sc= -4.12 K(o=-4.1,f=-6.1!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 73 HIS : no HE2:sc= -3.4! K(o=-4.7!,f=-3.3) USER MOD Set 3.2: A 76 ASN : amide:sc= -1.3 X(o=-4.7,f=-5.1) USER MOD Set 4.1: A 55 CYS SG : rot 18:sc= 0.874 USER MOD Set 4.2: A 69 HIS : no HD1:sc= -1.41 K(o=-0.53,f=-1.4!) USER MOD Set 5.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.51! K(o=-2.5!,f=-1.1) USER MOD Single : A 1 MET CE :methyl -161:sc= -2.37! (180deg=-2.59!) USER MOD Single : A 1 MET N :NH3+ 151:sc=-0.00465 (180deg=-0.983) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-3.2!) USER MOD Single : A 7 HIS : no HD1:sc= -0.925 X(o=-0.92,f=-0.58) USER MOD Single : A 8 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 10 HIS : no HE2:sc= -0.127 K(o=-0.13,f=-1.7) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.042) USER MOD Single : A 18 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-1.6!) USER MOD Single : A 19 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.17) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 134:sc= 1.1 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 42 MET CE :methyl 160:sc= -2.19 (180deg=-4.04!) USER MOD Single : A 43 MET CE :methyl 177:sc= -6.58! (180deg=-6.61!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.182 K(o=0.18,f=-0.71) USER MOD Single : A 67 CYS SG : rot 180:sc= 1.41 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 82 MET CE :methyl 143:sc= -0.56 (180deg=-3.57!) USER MOD Single : A 85 CYS SG : rot -160:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.543 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.64) USER MOD Single : A 113 LYS NZ :NH3+ -177:sc= 0.0623 (180deg=0.0602) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.251 -22.081 -33.353 1.00 0.00 N ATOM 2 CA MET A 1 -29.855 -20.967 -32.500 1.00 0.00 C ATOM 3 C MET A 1 -28.339 -20.919 -32.338 1.00 0.00 C ATOM 4 O MET A 1 -27.788 -21.469 -31.384 1.00 0.00 O ATOM 5 CB MET A 1 -30.522 -21.086 -31.128 1.00 0.00 C ATOM 6 CG MET A 1 -30.061 -20.031 -30.135 1.00 0.00 C ATOM 7 SD MET A 1 -30.706 -18.391 -30.515 1.00 0.00 S ATOM 8 CE MET A 1 -29.215 -17.558 -31.056 1.00 0.00 C ATOM 0 H1 MET A 1 -31.200 -22.407 -33.080 1.00 0.00 H new ATOM 0 H2 MET A 1 -30.263 -21.771 -34.346 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.572 -22.861 -33.242 1.00 0.00 H new ATOM 0 HA MET A 1 -30.182 -20.043 -32.976 1.00 0.00 H new ATOM 0 HB2 MET A 1 -31.602 -21.011 -31.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.316 -22.074 -30.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.378 -20.318 -29.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.972 -19.996 -30.128 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.361 -16.479 -31.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.384 -17.843 -30.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.991 -17.844 -32.084 1.00 0.00 H new ATOM 18 N LYS A 2 -27.669 -20.258 -33.276 1.00 0.00 N ATOM 19 CA LYS A 2 -26.216 -20.137 -33.238 1.00 0.00 C ATOM 20 C LYS A 2 -25.789 -18.678 -33.365 1.00 0.00 C ATOM 21 O LYS A 2 -25.291 -18.256 -34.409 1.00 0.00 O ATOM 22 CB LYS A 2 -25.585 -20.964 -34.360 1.00 0.00 C ATOM 23 CG LYS A 2 -26.323 -20.856 -35.684 1.00 0.00 C ATOM 24 CD LYS A 2 -27.431 -21.890 -35.790 1.00 0.00 C ATOM 25 CE LYS A 2 -28.018 -21.936 -37.193 1.00 0.00 C ATOM 26 NZ LYS A 2 -27.289 -22.897 -38.067 1.00 0.00 N ATOM 0 H LYS A 2 -28.109 -19.797 -34.073 1.00 0.00 H new ATOM 0 HA LYS A 2 -25.869 -20.517 -32.277 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -24.553 -20.642 -34.501 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.553 -22.010 -34.055 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -26.746 -19.856 -35.786 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -25.619 -20.990 -36.506 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -27.040 -22.872 -35.526 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -28.218 -21.657 -35.073 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -29.069 -22.220 -37.138 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -27.979 -20.941 -37.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -27.719 -22.900 -39.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -26.292 -22.612 -38.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -27.347 -23.851 -37.658 1.00 0.00 H new ATOM 40 N ASP A 3 -25.985 -17.913 -32.296 1.00 0.00 N ATOM 41 CA ASP A 3 -25.617 -16.502 -32.288 1.00 0.00 C ATOM 42 C ASP A 3 -24.339 -16.279 -31.486 1.00 0.00 C ATOM 43 O ASP A 3 -24.380 -16.111 -30.267 1.00 0.00 O ATOM 44 CB ASP A 3 -26.754 -15.661 -31.705 1.00 0.00 C ATOM 45 CG ASP A 3 -26.609 -14.187 -32.032 1.00 0.00 C ATOM 46 OD1 ASP A 3 -26.551 -13.849 -33.233 1.00 0.00 O ATOM 47 OD2 ASP A 3 -26.556 -13.373 -31.087 1.00 0.00 O ATOM 0 H ASP A 3 -26.397 -18.246 -31.424 1.00 0.00 H new ATOM 0 HA ASP A 3 -25.437 -16.192 -33.317 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -27.706 -16.024 -32.092 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -26.780 -15.790 -30.623 1.00 0.00 H new ATOM 52 N HIS A 4 -23.204 -16.279 -32.178 1.00 0.00 N ATOM 53 CA HIS A 4 -21.913 -16.077 -31.530 1.00 0.00 C ATOM 54 C HIS A 4 -21.228 -14.823 -32.063 1.00 0.00 C ATOM 55 O HIS A 4 -21.128 -14.625 -33.275 1.00 0.00 O ATOM 56 CB HIS A 4 -21.014 -17.295 -31.746 1.00 0.00 C ATOM 57 CG HIS A 4 -19.835 -17.339 -30.824 1.00 0.00 C ATOM 58 ND1 HIS A 4 -19.921 -17.750 -29.511 1.00 0.00 N ATOM 59 CD2 HIS A 4 -18.535 -17.023 -31.033 1.00 0.00 C ATOM 60 CE1 HIS A 4 -18.726 -17.683 -28.951 1.00 0.00 C ATOM 61 NE2 HIS A 4 -17.867 -17.245 -29.854 1.00 0.00 N ATOM 0 H HIS A 4 -23.152 -16.417 -33.187 1.00 0.00 H new ATOM 0 HA HIS A 4 -22.087 -15.948 -30.462 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -21.605 -18.201 -31.611 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -20.659 -17.297 -32.777 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.104 -16.663 -31.955 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -18.492 -17.942 -27.929 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -16.870 -17.096 -29.700 1.00 0.00 H new ATOM 70 N LEU A 5 -20.760 -13.978 -31.152 1.00 0.00 N ATOM 71 CA LEU A 5 -20.084 -12.741 -31.531 1.00 0.00 C ATOM 72 C LEU A 5 -18.768 -12.587 -30.776 1.00 0.00 C ATOM 73 O LEU A 5 -18.333 -11.471 -30.489 1.00 0.00 O ATOM 74 CB LEU A 5 -20.988 -11.538 -31.254 1.00 0.00 C ATOM 75 CG LEU A 5 -21.985 -11.697 -30.106 1.00 0.00 C ATOM 76 CD1 LEU A 5 -23.099 -12.656 -30.495 1.00 0.00 C ATOM 77 CD2 LEU A 5 -21.277 -12.182 -28.848 1.00 0.00 C ATOM 0 H LEU A 5 -20.836 -14.126 -30.146 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.866 -12.786 -32.598 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -20.356 -10.675 -31.043 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -21.545 -11.310 -32.163 1.00 0.00 H new ATOM 0 HG LEU A 5 -22.428 -10.723 -29.898 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -23.799 -12.756 -29.665 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -23.624 -12.269 -31.368 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.674 -13.631 -30.731 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -22.002 -12.290 -28.041 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.806 -13.145 -29.044 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.515 -11.459 -28.557 1.00 0.00 H new ATOM 89 N ILE A 6 -18.137 -13.713 -30.461 1.00 0.00 N ATOM 90 CA ILE A 6 -16.868 -13.702 -29.743 1.00 0.00 C ATOM 91 C ILE A 6 -15.791 -14.451 -30.520 1.00 0.00 C ATOM 92 O ILE A 6 -16.034 -15.534 -31.053 1.00 0.00 O ATOM 93 CB ILE A 6 -17.008 -14.331 -28.344 1.00 0.00 C ATOM 94 CG1 ILE A 6 -18.076 -13.594 -27.534 1.00 0.00 C ATOM 95 CG2 ILE A 6 -15.672 -14.304 -27.616 1.00 0.00 C ATOM 96 CD1 ILE A 6 -17.798 -12.116 -27.370 1.00 0.00 C ATOM 0 H ILE A 6 -18.483 -14.644 -30.691 1.00 0.00 H new ATOM 0 HA ILE A 6 -16.575 -12.658 -29.635 1.00 0.00 H new ATOM 0 HB ILE A 6 -17.318 -15.370 -28.458 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.042 -13.722 -28.022 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -18.153 -14.052 -26.548 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.786 -14.752 -26.629 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -14.935 -14.868 -28.187 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.336 -13.272 -27.510 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -18.596 -11.658 -26.786 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -16.847 -11.980 -26.855 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -17.750 -11.644 -28.351 1.00 0.00 H new ATOM 108 N HIS A 7 -14.598 -13.868 -30.579 1.00 0.00 N ATOM 109 CA HIS A 7 -13.481 -14.482 -31.289 1.00 0.00 C ATOM 110 C HIS A 7 -12.340 -14.807 -30.329 1.00 0.00 C ATOM 111 O HIS A 7 -11.707 -13.909 -29.776 1.00 0.00 O ATOM 112 CB HIS A 7 -12.982 -13.554 -32.397 1.00 0.00 C ATOM 113 CG HIS A 7 -12.272 -12.339 -31.886 1.00 0.00 C ATOM 114 ND1 HIS A 7 -10.971 -12.030 -32.223 1.00 0.00 N ATOM 115 CD2 HIS A 7 -12.689 -11.351 -31.059 1.00 0.00 C ATOM 116 CE1 HIS A 7 -10.618 -10.906 -31.624 1.00 0.00 C ATOM 117 NE2 HIS A 7 -11.644 -10.474 -30.912 1.00 0.00 N ATOM 0 H HIS A 7 -14.380 -12.972 -30.144 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.833 -15.412 -31.735 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.309 -14.110 -33.050 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.830 -13.240 -33.006 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.663 -11.269 -30.600 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.655 -10.423 -31.703 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.657 -9.626 -30.345 1.00 0.00 H new ATOM 126 N ASN A 8 -12.085 -16.097 -30.136 1.00 0.00 N ATOM 127 CA ASN A 8 -11.022 -16.541 -29.242 1.00 0.00 C ATOM 128 C ASN A 8 -9.808 -17.018 -30.035 1.00 0.00 C ATOM 129 O ASN A 8 -9.194 -18.031 -29.701 1.00 0.00 O ATOM 130 CB ASN A 8 -11.526 -17.664 -28.334 1.00 0.00 C ATOM 131 CG ASN A 8 -12.583 -18.520 -29.005 1.00 0.00 C ATOM 132 OD1 ASN A 8 -13.766 -18.436 -28.676 1.00 0.00 O ATOM 133 ND2 ASN A 8 -12.159 -19.349 -29.952 1.00 0.00 N ATOM 0 H ASN A 8 -12.600 -16.853 -30.587 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.721 -15.693 -28.626 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.686 -18.293 -28.039 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.937 -17.233 -27.421 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.824 -19.950 -30.439 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.168 -19.385 -30.192 1.00 0.00 H new ATOM 140 N VAL A 9 -9.468 -16.280 -31.087 1.00 0.00 N ATOM 141 CA VAL A 9 -8.327 -16.626 -31.927 1.00 0.00 C ATOM 142 C VAL A 9 -7.544 -15.382 -32.329 1.00 0.00 C ATOM 143 O VAL A 9 -8.035 -14.543 -33.085 1.00 0.00 O ATOM 144 CB VAL A 9 -8.773 -17.372 -33.198 1.00 0.00 C ATOM 145 CG1 VAL A 9 -9.848 -16.584 -33.931 1.00 0.00 C ATOM 146 CG2 VAL A 9 -7.581 -17.635 -34.106 1.00 0.00 C ATOM 0 H VAL A 9 -9.966 -15.439 -31.378 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.685 -17.280 -31.337 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.197 -18.332 -32.905 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.150 -17.127 -34.826 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.711 -16.451 -33.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.454 -15.608 -34.214 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.914 -18.163 -35.000 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.126 -16.687 -34.393 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.848 -18.244 -33.577 1.00 0.00 H new ATOM 156 N HIS A 10 -6.321 -15.269 -31.819 1.00 0.00 N ATOM 157 CA HIS A 10 -5.468 -14.126 -32.127 1.00 0.00 C ATOM 158 C HIS A 10 -4.002 -14.455 -31.856 1.00 0.00 C ATOM 159 O HIS A 10 -3.690 -15.411 -31.146 1.00 0.00 O ATOM 160 CB HIS A 10 -5.890 -12.911 -31.302 1.00 0.00 C ATOM 161 CG HIS A 10 -6.197 -13.234 -29.872 1.00 0.00 C ATOM 162 ND1 HIS A 10 -5.448 -14.118 -29.123 1.00 0.00 N ATOM 163 CD2 HIS A 10 -7.176 -12.785 -29.053 1.00 0.00 C ATOM 164 CE1 HIS A 10 -5.956 -14.200 -27.906 1.00 0.00 C ATOM 165 NE2 HIS A 10 -7.005 -13.400 -27.837 1.00 0.00 N ATOM 0 H HIS A 10 -5.899 -15.954 -31.192 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.581 -13.894 -33.186 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.095 -12.166 -31.335 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.769 -12.459 -31.760 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.630 -14.628 -29.456 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.949 -12.075 -29.308 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.578 -14.816 -27.104 1.00 0.00 H new ATOM 174 N LYS A 11 -3.107 -13.657 -32.429 1.00 0.00 N ATOM 175 CA LYS A 11 -1.674 -13.862 -32.250 1.00 0.00 C ATOM 176 C LYS A 11 -1.192 -13.228 -30.949 1.00 0.00 C ATOM 177 O LYS A 11 -1.902 -12.431 -30.337 1.00 0.00 O ATOM 178 CB LYS A 11 -0.903 -13.274 -33.433 1.00 0.00 C ATOM 179 CG LYS A 11 -0.808 -14.211 -34.625 1.00 0.00 C ATOM 180 CD LYS A 11 -0.461 -13.460 -35.899 1.00 0.00 C ATOM 181 CE LYS A 11 -1.711 -12.987 -36.625 1.00 0.00 C ATOM 182 NZ LYS A 11 -1.484 -12.854 -38.091 1.00 0.00 N ATOM 0 H LYS A 11 -3.349 -12.862 -33.021 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.489 -14.935 -32.201 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.386 -12.349 -33.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.103 -13.013 -33.106 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.051 -14.971 -34.432 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.756 -14.732 -34.756 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.167 -12.603 -35.658 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.121 -14.106 -36.557 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.523 -13.691 -36.446 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.026 -12.026 -36.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.359 -12.530 -38.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.726 -12.163 -38.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.208 -13.776 -38.485 1.00 0.00 H new ATOM 196 N GLU A 12 0.019 -13.587 -30.534 1.00 0.00 N ATOM 197 CA GLU A 12 0.594 -13.052 -29.306 1.00 0.00 C ATOM 198 C GLU A 12 1.261 -11.703 -29.560 1.00 0.00 C ATOM 199 O GLU A 12 1.473 -11.311 -30.707 1.00 0.00 O ATOM 200 CB GLU A 12 1.613 -14.034 -28.723 1.00 0.00 C ATOM 201 CG GLU A 12 2.899 -14.125 -29.527 1.00 0.00 C ATOM 202 CD GLU A 12 3.574 -15.477 -29.396 1.00 0.00 C ATOM 203 OE1 GLU A 12 2.928 -16.496 -29.715 1.00 0.00 O ATOM 204 OE2 GLU A 12 4.749 -15.514 -28.975 1.00 0.00 O ATOM 0 H GLU A 12 0.620 -14.245 -31.030 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.215 -12.910 -28.589 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.853 -13.733 -27.703 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.160 -15.024 -28.665 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.681 -13.932 -30.577 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.586 -13.346 -29.196 1.00 0.00 H new ATOM 211 N GLU A 13 1.588 -10.998 -28.482 1.00 0.00 N ATOM 212 CA GLU A 13 2.228 -9.692 -28.589 1.00 0.00 C ATOM 213 C GLU A 13 3.684 -9.835 -29.024 1.00 0.00 C ATOM 214 O GLU A 13 4.336 -10.837 -28.731 1.00 0.00 O ATOM 215 CB GLU A 13 2.155 -8.953 -27.251 1.00 0.00 C ATOM 216 CG GLU A 13 2.309 -7.447 -27.379 1.00 0.00 C ATOM 217 CD GLU A 13 1.152 -6.802 -28.118 1.00 0.00 C ATOM 218 OE1 GLU A 13 1.043 -7.008 -29.344 1.00 0.00 O ATOM 219 OE2 GLU A 13 0.356 -6.092 -27.468 1.00 0.00 O ATOM 0 H GLU A 13 1.421 -11.309 -27.525 1.00 0.00 H new ATOM 0 HA GLU A 13 1.695 -9.115 -29.345 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.199 -9.173 -26.776 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.934 -9.335 -26.592 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.390 -7.008 -26.385 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.239 -7.224 -27.902 1.00 0.00 H new ATOM 226 N HIS A 14 4.186 -8.824 -29.727 1.00 0.00 N ATOM 227 CA HIS A 14 5.565 -8.836 -30.204 1.00 0.00 C ATOM 228 C HIS A 14 6.412 -7.821 -29.442 1.00 0.00 C ATOM 229 O HIS A 14 7.210 -7.096 -30.034 1.00 0.00 O ATOM 230 CB HIS A 14 5.611 -8.535 -31.702 1.00 0.00 C ATOM 231 CG HIS A 14 4.670 -9.373 -32.511 1.00 0.00 C ATOM 232 ND1 HIS A 14 4.128 -8.955 -33.708 1.00 0.00 N ATOM 233 CD2 HIS A 14 4.177 -10.614 -32.290 1.00 0.00 C ATOM 234 CE1 HIS A 14 3.341 -9.901 -34.187 1.00 0.00 C ATOM 235 NE2 HIS A 14 3.354 -10.919 -33.346 1.00 0.00 N ATOM 0 H HIS A 14 3.659 -7.987 -29.979 1.00 0.00 H new ATOM 0 HA HIS A 14 5.976 -9.830 -30.028 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.375 -7.483 -31.860 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.627 -8.691 -32.065 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.391 -11.247 -31.441 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.782 -9.851 -35.110 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.837 -11.790 -33.462 1.00 0.00 H new ATOM 244 N ALA A 15 6.231 -7.775 -28.126 1.00 0.00 N ATOM 245 CA ALA A 15 6.979 -6.850 -27.284 1.00 0.00 C ATOM 246 C ALA A 15 7.117 -7.390 -25.864 1.00 0.00 C ATOM 247 O ALA A 15 6.256 -8.125 -25.382 1.00 0.00 O ATOM 248 CB ALA A 15 6.305 -5.486 -27.269 1.00 0.00 C ATOM 0 H ALA A 15 5.573 -8.368 -27.620 1.00 0.00 H new ATOM 0 HA ALA A 15 7.979 -6.743 -27.703 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.875 -4.806 -26.636 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.264 -5.089 -28.283 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.293 -5.585 -26.877 1.00 0.00 H new ATOM 254 N HIS A 16 8.208 -7.020 -25.200 1.00 0.00 N ATOM 255 CA HIS A 16 8.459 -7.467 -23.834 1.00 0.00 C ATOM 256 C HIS A 16 9.711 -6.805 -23.267 1.00 0.00 C ATOM 257 O HIS A 16 10.433 -6.109 -23.980 1.00 0.00 O ATOM 258 CB HIS A 16 8.608 -8.988 -23.793 1.00 0.00 C ATOM 259 CG HIS A 16 8.155 -9.600 -22.503 1.00 0.00 C ATOM 260 ND1 HIS A 16 8.341 -10.931 -22.194 1.00 0.00 N ATOM 261 CD2 HIS A 16 7.521 -9.054 -21.439 1.00 0.00 C ATOM 262 CE1 HIS A 16 7.841 -11.177 -20.997 1.00 0.00 C ATOM 263 NE2 HIS A 16 7.337 -10.055 -20.517 1.00 0.00 N ATOM 0 H HIS A 16 8.931 -6.413 -25.585 1.00 0.00 H new ATOM 0 HA HIS A 16 7.607 -7.176 -23.220 1.00 0.00 H new ATOM 0 HB2 HIS A 16 8.036 -9.423 -24.613 1.00 0.00 H new ATOM 0 HB3 HIS A 16 9.653 -9.247 -23.961 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.217 -8.023 -21.335 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.844 -12.134 -20.496 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.885 -9.949 -19.609 1.00 0.00 H new ATOM 272 N ALA A 17 9.961 -7.028 -21.981 1.00 0.00 N ATOM 273 CA ALA A 17 11.126 -6.454 -21.319 1.00 0.00 C ATOM 274 C ALA A 17 11.837 -7.494 -20.461 1.00 0.00 C ATOM 275 O ALA A 17 11.374 -7.838 -19.373 1.00 0.00 O ATOM 276 CB ALA A 17 10.716 -5.258 -20.472 1.00 0.00 C ATOM 0 H ALA A 17 9.373 -7.602 -21.377 1.00 0.00 H new ATOM 0 HA ALA A 17 11.822 -6.119 -22.088 1.00 0.00 H new ATOM 0 HB1 ALA A 17 11.596 -4.839 -19.983 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.260 -4.500 -21.109 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.998 -5.576 -19.716 1.00 0.00 H new ATOM 282 N HIS A 18 12.965 -7.993 -20.957 1.00 0.00 N ATOM 283 CA HIS A 18 13.741 -8.995 -20.234 1.00 0.00 C ATOM 284 C HIS A 18 14.603 -8.343 -19.158 1.00 0.00 C ATOM 285 O HIS A 18 15.669 -7.800 -19.447 1.00 0.00 O ATOM 286 CB HIS A 18 14.623 -9.783 -21.203 1.00 0.00 C ATOM 287 CG HIS A 18 15.754 -8.982 -21.770 1.00 0.00 C ATOM 288 ND1 HIS A 18 16.943 -9.545 -22.182 1.00 0.00 N ATOM 289 CD2 HIS A 18 15.872 -7.652 -21.994 1.00 0.00 C ATOM 290 CE1 HIS A 18 17.744 -8.597 -22.634 1.00 0.00 C ATOM 291 NE2 HIS A 18 17.118 -7.438 -22.531 1.00 0.00 N ATOM 0 H HIS A 18 13.362 -7.720 -21.856 1.00 0.00 H new ATOM 0 HA HIS A 18 13.044 -9.679 -19.750 1.00 0.00 H new ATOM 0 HB2 HIS A 18 15.028 -10.653 -20.687 1.00 0.00 H new ATOM 0 HB3 HIS A 18 14.007 -10.156 -22.021 1.00 0.00 H new ATOM 0 HD2 HIS A 18 15.125 -6.899 -21.789 1.00 0.00 H new ATOM 0 HE1 HIS A 18 18.741 -8.744 -23.022 1.00 0.00 H new ATOM 0 HE2 HIS A 18 17.498 -6.532 -22.805 1.00 0.00 H new ATOM 300 N ASN A 19 14.133 -8.399 -17.916 1.00 0.00 N ATOM 301 CA ASN A 19 14.861 -7.812 -16.796 1.00 0.00 C ATOM 302 C ASN A 19 14.781 -8.709 -15.565 1.00 0.00 C ATOM 303 O ASN A 19 13.774 -9.379 -15.335 1.00 0.00 O ATOM 304 CB ASN A 19 14.302 -6.426 -16.468 1.00 0.00 C ATOM 305 CG ASN A 19 14.527 -5.431 -17.590 1.00 0.00 C ATOM 306 OD1 ASN A 19 15.429 -4.596 -17.522 1.00 0.00 O ATOM 307 ND2 ASN A 19 13.706 -5.517 -18.630 1.00 0.00 N ATOM 0 H ASN A 19 13.252 -8.844 -17.660 1.00 0.00 H new ATOM 0 HA ASN A 19 15.907 -7.715 -17.086 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.234 -6.507 -16.266 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.771 -6.054 -15.557 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.809 -4.875 -19.416 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.972 -6.225 -18.643 1.00 0.00 H new ATOM 314 N LYS A 20 15.849 -8.718 -14.775 1.00 0.00 N ATOM 315 CA LYS A 20 15.901 -9.530 -13.566 1.00 0.00 C ATOM 316 C LYS A 20 15.755 -8.662 -12.320 1.00 0.00 C ATOM 317 O LYS A 20 16.747 -8.277 -11.701 1.00 0.00 O ATOM 318 CB LYS A 20 17.217 -10.309 -13.506 1.00 0.00 C ATOM 319 CG LYS A 20 17.459 -11.189 -14.721 1.00 0.00 C ATOM 320 CD LYS A 20 18.181 -10.433 -15.823 1.00 0.00 C ATOM 321 CE LYS A 20 19.652 -10.234 -15.492 1.00 0.00 C ATOM 322 NZ LYS A 20 20.477 -11.402 -15.909 1.00 0.00 N ATOM 0 H LYS A 20 16.692 -8.171 -14.951 1.00 0.00 H new ATOM 0 HA LYS A 20 15.070 -10.234 -13.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.043 -9.604 -13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.221 -10.931 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.048 -12.059 -14.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.506 -11.561 -15.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.089 -10.980 -16.761 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.706 -9.463 -15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 20 20.018 -9.335 -15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.765 -10.074 -14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.473 -11.228 -15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.145 -12.255 -15.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.390 -11.539 -16.936 1.00 0.00 H new ATOM 336 N ASP A 21 14.514 -8.360 -11.958 1.00 0.00 N ATOM 337 CA ASP A 21 14.238 -7.540 -10.784 1.00 0.00 C ATOM 338 C ASP A 21 13.146 -8.170 -9.925 1.00 0.00 C ATOM 339 O ASP A 21 11.971 -7.821 -10.042 1.00 0.00 O ATOM 340 CB ASP A 21 13.822 -6.130 -11.207 1.00 0.00 C ATOM 341 CG ASP A 21 13.629 -5.204 -10.022 1.00 0.00 C ATOM 342 OD1 ASP A 21 14.616 -4.951 -9.300 1.00 0.00 O ATOM 343 OD2 ASP A 21 12.492 -4.731 -9.819 1.00 0.00 O ATOM 0 H ASP A 21 13.682 -8.671 -12.460 1.00 0.00 H new ATOM 0 HA ASP A 21 15.151 -7.479 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.581 -5.714 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.895 -6.184 -11.778 1.00 0.00 H new ATOM 348 N TYR A 22 13.542 -9.099 -9.062 1.00 0.00 N ATOM 349 CA TYR A 22 12.597 -9.781 -8.186 1.00 0.00 C ATOM 350 C TYR A 22 13.137 -9.864 -6.761 1.00 0.00 C ATOM 351 O TYR A 22 12.486 -9.425 -5.812 1.00 0.00 O ATOM 352 CB TYR A 22 12.301 -11.186 -8.714 1.00 0.00 C ATOM 353 CG TYR A 22 13.451 -11.798 -9.481 1.00 0.00 C ATOM 354 CD1 TYR A 22 13.608 -11.562 -10.841 1.00 0.00 C ATOM 355 CD2 TYR A 22 14.380 -12.613 -8.846 1.00 0.00 C ATOM 356 CE1 TYR A 22 14.656 -12.120 -11.547 1.00 0.00 C ATOM 357 CE2 TYR A 22 15.433 -13.174 -9.543 1.00 0.00 C ATOM 358 CZ TYR A 22 15.566 -12.925 -10.894 1.00 0.00 C ATOM 359 OH TYR A 22 16.612 -13.482 -11.592 1.00 0.00 O ATOM 0 H TYR A 22 14.511 -9.397 -8.950 1.00 0.00 H new ATOM 0 HA TYR A 22 11.673 -9.204 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 22 12.048 -11.835 -7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.425 -11.145 -9.361 1.00 0.00 H new ATOM 0 HD1 TYR A 22 12.898 -10.931 -11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 22 14.277 -12.811 -7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.762 -11.927 -12.604 1.00 0.00 H new ATOM 0 HE2 TYR A 22 16.148 -13.804 -9.034 1.00 0.00 H new ATOM 0 HH TYR A 22 17.161 -14.020 -10.984 1.00 0.00 H new ATOM 369 N ASP A 23 14.331 -10.428 -6.621 1.00 0.00 N ATOM 370 CA ASP A 23 14.961 -10.568 -5.313 1.00 0.00 C ATOM 371 C ASP A 23 13.927 -10.911 -4.245 1.00 0.00 C ATOM 372 O ASP A 23 13.858 -10.260 -3.203 1.00 0.00 O ATOM 373 CB ASP A 23 15.694 -9.279 -4.936 1.00 0.00 C ATOM 374 CG ASP A 23 16.666 -9.480 -3.790 1.00 0.00 C ATOM 375 OD1 ASP A 23 17.798 -9.942 -4.047 1.00 0.00 O ATOM 376 OD2 ASP A 23 16.296 -9.174 -2.638 1.00 0.00 O ATOM 0 H ASP A 23 14.882 -10.796 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 23 15.682 -11.384 -5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.234 -8.904 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.965 -8.517 -4.661 1.00 0.00 H new ATOM 381 N ILE A 24 13.126 -11.937 -4.513 1.00 0.00 N ATOM 382 CA ILE A 24 12.096 -12.366 -3.575 1.00 0.00 C ATOM 383 C ILE A 24 12.692 -12.666 -2.204 1.00 0.00 C ATOM 384 O ILE A 24 13.749 -13.286 -2.081 1.00 0.00 O ATOM 385 CB ILE A 24 11.356 -13.616 -4.085 1.00 0.00 C ATOM 386 CG1 ILE A 24 11.361 -13.650 -5.615 1.00 0.00 C ATOM 387 CG2 ILE A 24 9.930 -13.641 -3.554 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.493 -14.467 -6.198 1.00 0.00 C ATOM 0 H ILE A 24 13.171 -12.486 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 24 11.386 -11.544 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 24 11.875 -14.502 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.412 -14.058 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.428 -12.630 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.420 -14.531 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.948 -13.659 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.400 -12.751 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.434 -14.446 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.447 -14.047 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.415 -15.497 -5.850 1.00 0.00 H new ATOM 400 N PRO A 25 11.999 -12.219 -1.146 1.00 0.00 N ATOM 401 CA PRO A 25 12.439 -12.430 0.236 1.00 0.00 C ATOM 402 C PRO A 25 12.334 -13.890 0.661 1.00 0.00 C ATOM 403 O PRO A 25 12.190 -14.783 -0.175 1.00 0.00 O ATOM 404 CB PRO A 25 11.475 -11.564 1.051 1.00 0.00 C ATOM 405 CG PRO A 25 10.252 -11.461 0.206 1.00 0.00 C ATOM 406 CD PRO A 25 10.731 -11.472 -1.219 1.00 0.00 C ATOM 0 HA PRO A 25 13.488 -12.169 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.252 -12.020 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.900 -10.581 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.575 -12.294 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.702 -10.546 0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.015 -11.960 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.881 -10.462 -1.601 1.00 0.00 H new ATOM 414 N THR A 26 12.405 -14.128 1.967 1.00 0.00 N ATOM 415 CA THR A 26 12.318 -15.481 2.504 1.00 0.00 C ATOM 416 C THR A 26 11.123 -15.626 3.439 1.00 0.00 C ATOM 417 O THR A 26 10.655 -16.735 3.699 1.00 0.00 O ATOM 418 CB THR A 26 13.601 -15.867 3.264 1.00 0.00 C ATOM 419 OG1 THR A 26 13.795 -14.986 4.376 1.00 0.00 O ATOM 420 CG2 THR A 26 14.813 -15.807 2.347 1.00 0.00 C ATOM 0 H THR A 26 12.523 -13.401 2.673 1.00 0.00 H new ATOM 0 HA THR A 26 12.193 -16.151 1.654 1.00 0.00 H new ATOM 0 HB THR A 26 13.489 -16.889 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.612 -15.239 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.707 -16.084 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.676 -16.500 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.926 -14.794 1.960 1.00 0.00 H new ATOM 428 N THR A 27 10.632 -14.498 3.943 1.00 0.00 N ATOM 429 CA THR A 27 9.491 -14.499 4.850 1.00 0.00 C ATOM 430 C THR A 27 8.272 -15.143 4.200 1.00 0.00 C ATOM 431 O THR A 27 8.063 -15.018 2.994 1.00 0.00 O ATOM 432 CB THR A 27 9.127 -13.071 5.297 1.00 0.00 C ATOM 433 OG1 THR A 27 10.311 -12.355 5.664 1.00 0.00 O ATOM 434 CG2 THR A 27 8.161 -13.101 6.472 1.00 0.00 C ATOM 0 H THR A 27 11.007 -13.572 3.738 1.00 0.00 H new ATOM 0 HA THR A 27 9.783 -15.081 5.724 1.00 0.00 H new ATOM 0 HB THR A 27 8.642 -12.566 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.071 -11.448 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.919 -12.081 6.770 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.248 -13.620 6.180 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.623 -13.623 7.310 1.00 0.00 H new ATOM 442 N GLU A 28 7.471 -15.831 5.007 1.00 0.00 N ATOM 443 CA GLU A 28 6.272 -16.494 4.507 1.00 0.00 C ATOM 444 C GLU A 28 5.120 -15.503 4.367 1.00 0.00 C ATOM 445 O GLU A 28 4.014 -15.748 4.846 1.00 0.00 O ATOM 446 CB GLU A 28 5.866 -17.635 5.443 1.00 0.00 C ATOM 447 CG GLU A 28 6.822 -18.816 5.413 1.00 0.00 C ATOM 448 CD GLU A 28 7.998 -18.638 6.353 1.00 0.00 C ATOM 449 OE1 GLU A 28 7.816 -18.828 7.574 1.00 0.00 O ATOM 450 OE2 GLU A 28 9.101 -18.308 5.869 1.00 0.00 O ATOM 0 H GLU A 28 7.630 -15.944 6.008 1.00 0.00 H new ATOM 0 HA GLU A 28 6.498 -16.903 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.805 -17.253 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.868 -17.979 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.281 -19.723 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.191 -18.954 4.397 1.00 0.00 H new ATOM 457 N ASN A 29 5.390 -14.382 3.706 1.00 0.00 N ATOM 458 CA ASN A 29 4.377 -13.352 3.503 1.00 0.00 C ATOM 459 C ASN A 29 4.443 -12.797 2.083 1.00 0.00 C ATOM 460 O ASN A 29 5.524 -12.642 1.514 1.00 0.00 O ATOM 461 CB ASN A 29 4.562 -12.219 4.514 1.00 0.00 C ATOM 462 CG ASN A 29 3.938 -12.537 5.859 1.00 0.00 C ATOM 463 OD1 ASN A 29 2.955 -11.916 6.263 1.00 0.00 O ATOM 464 ND2 ASN A 29 4.509 -13.509 6.561 1.00 0.00 N ATOM 0 H ASN A 29 6.301 -14.164 3.302 1.00 0.00 H new ATOM 0 HA ASN A 29 3.397 -13.806 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.626 -12.025 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.118 -11.306 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.134 -13.767 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.323 -13.998 6.187 1.00 0.00 H new ATOM 471 N LEU A 30 3.279 -12.500 1.516 1.00 0.00 N ATOM 472 CA LEU A 30 3.203 -11.962 0.162 1.00 0.00 C ATOM 473 C LEU A 30 2.921 -10.463 0.187 1.00 0.00 C ATOM 474 O LEU A 30 2.154 -9.979 1.020 1.00 0.00 O ATOM 475 CB LEU A 30 2.115 -12.683 -0.635 1.00 0.00 C ATOM 476 CG LEU A 30 2.545 -13.965 -1.349 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.462 -13.643 -2.518 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.230 -14.914 -0.376 1.00 0.00 C ATOM 0 H LEU A 30 2.375 -12.623 1.972 1.00 0.00 H new ATOM 0 HA LEU A 30 4.166 -12.125 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.296 -12.925 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.719 -11.992 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 30 1.654 -14.457 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.758 -14.568 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.937 -13.003 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.350 -13.127 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.529 -15.821 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.112 -14.430 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.540 -15.171 0.428 1.00 0.00 H new ATOM 490 N TYR A 31 3.544 -9.733 -0.732 1.00 0.00 N ATOM 491 CA TYR A 31 3.360 -8.289 -0.815 1.00 0.00 C ATOM 492 C TYR A 31 2.865 -7.882 -2.200 1.00 0.00 C ATOM 493 O TYR A 31 3.592 -7.988 -3.188 1.00 0.00 O ATOM 494 CB TYR A 31 4.671 -7.568 -0.498 1.00 0.00 C ATOM 495 CG TYR A 31 5.381 -8.112 0.722 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.665 -8.535 1.835 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.767 -8.201 0.761 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.309 -9.031 2.952 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.419 -8.698 1.873 1.00 0.00 C ATOM 500 CZ TYR A 31 6.686 -9.111 2.966 1.00 0.00 C ATOM 501 OH TYR A 31 7.333 -9.605 4.076 1.00 0.00 O ATOM 0 H TYR A 31 4.181 -10.118 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 31 2.608 -8.001 -0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.335 -7.644 -1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.466 -6.508 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.587 -8.475 1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.344 -7.876 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.738 -9.354 3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.497 -8.763 1.886 1.00 0.00 H new ATOM 0 HH TYR A 31 8.301 -9.595 3.922 1.00 0.00 H new ATOM 511 N PHE A 32 1.622 -7.415 -2.262 1.00 0.00 N ATOM 512 CA PHE A 32 1.028 -6.991 -3.525 1.00 0.00 C ATOM 513 C PHE A 32 1.104 -5.475 -3.680 1.00 0.00 C ATOM 514 O PHE A 32 1.389 -4.757 -2.723 1.00 0.00 O ATOM 515 CB PHE A 32 -0.429 -7.451 -3.607 1.00 0.00 C ATOM 516 CG PHE A 32 -0.604 -8.929 -3.409 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.504 -9.489 -2.145 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.867 -9.760 -4.486 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.664 -10.850 -1.960 1.00 0.00 C ATOM 520 CE2 PHE A 32 -1.028 -11.120 -4.307 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.926 -11.666 -3.042 1.00 0.00 C ATOM 0 H PHE A 32 1.007 -7.321 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 32 1.593 -7.450 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.012 -6.920 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.835 -7.172 -4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.299 -8.855 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.947 -9.339 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.584 -11.274 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.233 -11.756 -5.155 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.051 -12.729 -2.900 1.00 0.00 H new ATOM 531 N GLN A 33 0.848 -4.997 -4.894 1.00 0.00 N ATOM 532 CA GLN A 33 0.890 -3.567 -5.175 1.00 0.00 C ATOM 533 C GLN A 33 -0.249 -3.163 -6.106 1.00 0.00 C ATOM 534 O GLN A 33 -0.653 -3.930 -6.978 1.00 0.00 O ATOM 535 CB GLN A 33 2.234 -3.187 -5.799 1.00 0.00 C ATOM 536 CG GLN A 33 3.431 -3.580 -4.949 1.00 0.00 C ATOM 537 CD GLN A 33 4.743 -3.460 -5.698 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.785 -2.965 -6.825 1.00 0.00 O ATOM 539 NE2 GLN A 33 5.825 -3.914 -5.075 1.00 0.00 N ATOM 0 H GLN A 33 0.610 -5.578 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 33 0.772 -3.033 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.320 -3.664 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.256 -2.110 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.465 -2.948 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.306 -4.607 -4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.745 -4.317 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.736 -3.860 -5.530 1.00 0.00 H new ATOM 548 N GLY A 34 -0.761 -1.951 -5.915 1.00 0.00 N ATOM 549 CA GLY A 34 -1.848 -1.466 -6.745 1.00 0.00 C ATOM 550 C GLY A 34 -2.907 -0.734 -5.944 1.00 0.00 C ATOM 551 O GLY A 34 -4.066 -1.147 -5.912 1.00 0.00 O ATOM 0 H GLY A 34 -0.442 -1.297 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.448 -0.799 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.307 -2.307 -7.265 1.00 0.00 H new ATOM 555 N SER A 35 -2.508 0.355 -5.295 1.00 0.00 N ATOM 556 CA SER A 35 -3.430 1.143 -4.485 1.00 0.00 C ATOM 557 C SER A 35 -4.519 1.767 -5.354 1.00 0.00 C ATOM 558 O SER A 35 -4.238 2.329 -6.412 1.00 0.00 O ATOM 559 CB SER A 35 -2.673 2.239 -3.732 1.00 0.00 C ATOM 560 OG SER A 35 -3.547 2.987 -2.905 1.00 0.00 O ATOM 0 H SER A 35 -1.553 0.712 -5.314 1.00 0.00 H new ATOM 0 HA SER A 35 -3.902 0.476 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.887 1.791 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.185 2.903 -4.445 1.00 0.00 H new ATOM 0 HG SER A 35 -3.039 3.680 -2.434 1.00 0.00 H new ATOM 566 N SER A 36 -5.763 1.663 -4.897 1.00 0.00 N ATOM 567 CA SER A 36 -6.895 2.212 -5.633 1.00 0.00 C ATOM 568 C SER A 36 -7.240 3.612 -5.134 1.00 0.00 C ATOM 569 O SER A 36 -8.410 3.959 -4.982 1.00 0.00 O ATOM 570 CB SER A 36 -8.113 1.296 -5.497 1.00 0.00 C ATOM 571 OG SER A 36 -8.077 0.253 -6.456 1.00 0.00 O ATOM 0 H SER A 36 -6.012 1.204 -4.021 1.00 0.00 H new ATOM 0 HA SER A 36 -6.615 2.278 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.142 0.871 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.026 1.878 -5.623 1.00 0.00 H new ATOM 0 HG SER A 36 -8.279 -0.600 -6.019 1.00 0.00 H new ATOM 577 N GLY A 37 -6.210 4.413 -4.880 1.00 0.00 N ATOM 578 CA GLY A 37 -6.422 5.766 -4.400 1.00 0.00 C ATOM 579 C GLY A 37 -5.714 6.034 -3.087 1.00 0.00 C ATOM 580 O GLY A 37 -4.568 6.483 -3.073 1.00 0.00 O ATOM 0 H GLY A 37 -5.232 4.149 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.069 6.474 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.491 5.940 -4.275 1.00 0.00 H new ATOM 584 N SER A 38 -6.397 5.760 -1.981 1.00 0.00 N ATOM 585 CA SER A 38 -5.828 5.980 -0.656 1.00 0.00 C ATOM 586 C SER A 38 -5.569 4.653 0.050 1.00 0.00 C ATOM 587 O SER A 38 -5.898 3.586 -0.468 1.00 0.00 O ATOM 588 CB SER A 38 -6.765 6.846 0.188 1.00 0.00 C ATOM 589 OG SER A 38 -8.067 6.288 0.238 1.00 0.00 O ATOM 0 H SER A 38 -7.346 5.385 -1.975 1.00 0.00 H new ATOM 0 HA SER A 38 -4.877 6.499 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.367 6.940 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.812 7.851 -0.231 1.00 0.00 H new ATOM 0 HG SER A 38 -8.647 6.859 0.785 1.00 0.00 H new ATOM 595 N SER A 39 -4.976 4.728 1.238 1.00 0.00 N ATOM 596 CA SER A 39 -4.668 3.533 2.015 1.00 0.00 C ATOM 597 C SER A 39 -5.934 2.944 2.630 1.00 0.00 C ATOM 598 O SER A 39 -6.063 1.728 2.767 1.00 0.00 O ATOM 599 CB SER A 39 -3.658 3.862 3.117 1.00 0.00 C ATOM 600 OG SER A 39 -2.574 4.617 2.605 1.00 0.00 O ATOM 0 H SER A 39 -4.700 5.603 1.683 1.00 0.00 H new ATOM 0 HA SER A 39 -4.234 2.794 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.151 4.421 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.285 2.939 3.561 1.00 0.00 H new ATOM 0 HG SER A 39 -1.943 4.816 3.328 1.00 0.00 H new ATOM 606 N GLY A 40 -6.867 3.817 2.999 1.00 0.00 N ATOM 607 CA GLY A 40 -8.111 3.365 3.595 1.00 0.00 C ATOM 608 C GLY A 40 -9.044 2.734 2.580 1.00 0.00 C ATOM 609 O GLY A 40 -9.522 1.617 2.778 1.00 0.00 O ATOM 0 H GLY A 40 -6.784 4.828 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.892 2.643 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.612 4.210 4.068 1.00 0.00 H new ATOM 613 N ASP A 41 -9.305 3.451 1.493 1.00 0.00 N ATOM 614 CA ASP A 41 -10.189 2.955 0.444 1.00 0.00 C ATOM 615 C ASP A 41 -9.928 1.477 0.169 1.00 0.00 C ATOM 616 O ASP A 41 -10.852 0.718 -0.121 1.00 0.00 O ATOM 617 CB ASP A 41 -9.999 3.767 -0.838 1.00 0.00 C ATOM 618 CG ASP A 41 -10.998 3.391 -1.915 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.006 2.214 -2.331 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.771 4.274 -2.342 1.00 0.00 O ATOM 0 H ASP A 41 -8.917 4.377 1.315 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.218 3.067 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.097 4.828 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.988 3.614 -1.215 1.00 0.00 H new ATOM 625 N MET A 42 -8.664 1.077 0.260 1.00 0.00 N ATOM 626 CA MET A 42 -8.283 -0.310 0.020 1.00 0.00 C ATOM 627 C MET A 42 -9.146 -1.261 0.843 1.00 0.00 C ATOM 628 O MET A 42 -9.810 -2.141 0.297 1.00 0.00 O ATOM 629 CB MET A 42 -6.806 -0.521 0.358 1.00 0.00 C ATOM 630 CG MET A 42 -5.857 0.208 -0.580 1.00 0.00 C ATOM 631 SD MET A 42 -4.333 -0.709 -0.876 1.00 0.00 S ATOM 632 CE MET A 42 -4.780 -1.647 -2.335 1.00 0.00 C ATOM 0 H MET A 42 -7.887 1.693 0.498 1.00 0.00 H new ATOM 0 HA MET A 42 -8.441 -0.527 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.624 -0.185 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.584 -1.588 0.329 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.359 0.388 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.614 1.183 -0.159 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.876 -1.979 -2.845 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.371 -2.515 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.365 -1.019 -3.006 1.00 0.00 H new ATOM 642 N MET A 43 -9.131 -1.077 2.159 1.00 0.00 N ATOM 643 CA MET A 43 -9.913 -1.919 3.057 1.00 0.00 C ATOM 644 C MET A 43 -11.357 -2.029 2.578 1.00 0.00 C ATOM 645 O MET A 43 -12.033 -3.025 2.838 1.00 0.00 O ATOM 646 CB MET A 43 -9.877 -1.357 4.479 1.00 0.00 C ATOM 647 CG MET A 43 -8.471 -1.207 5.037 1.00 0.00 C ATOM 648 SD MET A 43 -7.811 -2.755 5.685 1.00 0.00 S ATOM 649 CE MET A 43 -8.825 -2.970 7.146 1.00 0.00 C ATOM 0 H MET A 43 -8.586 -0.353 2.627 1.00 0.00 H new ATOM 0 HA MET A 43 -9.471 -2.915 3.057 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.369 -0.384 4.489 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.451 -2.012 5.134 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.811 -0.835 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.477 -0.459 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.573 -3.914 7.628 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.643 -2.149 7.839 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.877 -2.978 6.861 1.00 0.00 H new ATOM 659 N ARG A 44 -11.824 -1.000 1.879 1.00 0.00 N ATOM 660 CA ARG A 44 -13.188 -0.981 1.365 1.00 0.00 C ATOM 661 C ARG A 44 -13.297 -1.795 0.079 1.00 0.00 C ATOM 662 O ARG A 44 -14.110 -2.713 -0.018 1.00 0.00 O ATOM 663 CB ARG A 44 -13.640 0.458 1.110 1.00 0.00 C ATOM 664 CG ARG A 44 -14.359 1.089 2.291 1.00 0.00 C ATOM 665 CD ARG A 44 -13.381 1.747 3.252 1.00 0.00 C ATOM 666 NE ARG A 44 -14.012 2.806 4.035 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.473 3.331 5.130 1.00 0.00 C ATOM 668 NH1 ARG A 44 -12.299 2.898 5.568 1.00 0.00 N ATOM 669 NH2 ARG A 44 -14.108 4.292 5.789 1.00 0.00 N ATOM 0 H ARG A 44 -11.278 -0.168 1.656 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.838 -1.431 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.770 1.064 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.300 0.474 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.071 1.831 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.932 0.327 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.972 0.994 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.544 2.161 2.690 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.916 3.162 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.807 2.160 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.888 3.303 6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.011 4.629 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.693 4.694 6.630 1.00 0.00 H new ATOM 683 N GLU A 45 -12.472 -1.451 -0.904 1.00 0.00 N ATOM 684 CA GLU A 45 -12.477 -2.149 -2.184 1.00 0.00 C ATOM 685 C GLU A 45 -12.227 -3.642 -1.991 1.00 0.00 C ATOM 686 O GLU A 45 -12.953 -4.479 -2.528 1.00 0.00 O ATOM 687 CB GLU A 45 -11.416 -1.560 -3.116 1.00 0.00 C ATOM 688 CG GLU A 45 -11.518 -2.060 -4.548 1.00 0.00 C ATOM 689 CD GLU A 45 -10.473 -1.443 -5.457 1.00 0.00 C ATOM 690 OE1 GLU A 45 -9.308 -1.317 -5.023 1.00 0.00 O ATOM 691 OE2 GLU A 45 -10.819 -1.087 -6.602 1.00 0.00 O ATOM 0 H GLU A 45 -11.792 -0.694 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.460 -2.018 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.504 -0.474 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.427 -1.801 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.409 -3.144 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.511 -1.836 -4.937 1.00 0.00 H new ATOM 698 N ILE A 46 -11.195 -3.968 -1.220 1.00 0.00 N ATOM 699 CA ILE A 46 -10.849 -5.359 -0.954 1.00 0.00 C ATOM 700 C ILE A 46 -12.089 -6.178 -0.612 1.00 0.00 C ATOM 701 O ILE A 46 -12.430 -7.130 -1.314 1.00 0.00 O ATOM 702 CB ILE A 46 -9.836 -5.477 0.199 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.547 -4.729 -0.147 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.541 -6.939 0.498 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.810 -4.201 1.064 1.00 0.00 C ATOM 0 H ILE A 46 -10.584 -3.288 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.397 -5.751 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.269 -5.024 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.887 -5.396 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.786 -3.896 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.823 -7.006 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.463 -7.445 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.125 -7.415 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.907 -3.682 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.452 -3.508 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.539 -5.032 1.716 1.00 0.00 H new ATOM 717 N ARG A 47 -12.761 -5.800 0.470 1.00 0.00 N ATOM 718 CA ARG A 47 -13.964 -6.498 0.906 1.00 0.00 C ATOM 719 C ARG A 47 -14.825 -6.895 -0.290 1.00 0.00 C ATOM 720 O ARG A 47 -15.453 -7.954 -0.293 1.00 0.00 O ATOM 721 CB ARG A 47 -14.773 -5.619 1.861 1.00 0.00 C ATOM 722 CG ARG A 47 -14.050 -5.304 3.160 1.00 0.00 C ATOM 723 CD ARG A 47 -14.698 -4.139 3.891 1.00 0.00 C ATOM 724 NE ARG A 47 -16.077 -4.432 4.272 1.00 0.00 N ATOM 725 CZ ARG A 47 -16.801 -3.652 5.068 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.279 -2.539 5.563 1.00 0.00 N ATOM 727 NH2 ARG A 47 -18.049 -3.986 5.369 1.00 0.00 N ATOM 0 H ARG A 47 -12.492 -5.013 1.061 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.658 -7.404 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.022 -4.685 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.714 -6.118 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.053 -6.185 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.007 -5.067 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.118 -3.903 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.678 -3.255 3.254 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.508 -5.282 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.320 -2.279 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.837 -1.942 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.454 -4.842 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.604 -3.387 5.980 1.00 0.00 H new ATOM 741 N LYS A 48 -14.851 -6.038 -1.305 1.00 0.00 N ATOM 742 CA LYS A 48 -15.633 -6.297 -2.507 1.00 0.00 C ATOM 743 C LYS A 48 -15.339 -7.689 -3.058 1.00 0.00 C ATOM 744 O LYS A 48 -16.255 -8.465 -3.333 1.00 0.00 O ATOM 745 CB LYS A 48 -15.333 -5.241 -3.574 1.00 0.00 C ATOM 746 CG LYS A 48 -16.449 -5.069 -4.590 1.00 0.00 C ATOM 747 CD LYS A 48 -16.151 -3.937 -5.559 1.00 0.00 C ATOM 748 CE LYS A 48 -15.226 -4.390 -6.678 1.00 0.00 C ATOM 749 NZ LYS A 48 -15.148 -3.384 -7.774 1.00 0.00 N ATOM 0 H LYS A 48 -14.338 -5.156 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.689 -6.246 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.148 -4.285 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.416 -5.515 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.584 -5.998 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.387 -4.868 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.083 -3.566 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.693 -3.107 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.229 -4.567 -6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.580 -5.339 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.508 -3.729 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.096 -3.234 -8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.786 -2.486 -7.395 1.00 0.00 H new ATOM 763 N VAL A 49 -14.056 -7.999 -3.216 1.00 0.00 N ATOM 764 CA VAL A 49 -13.642 -9.299 -3.731 1.00 0.00 C ATOM 765 C VAL A 49 -13.989 -10.414 -2.752 1.00 0.00 C ATOM 766 O VAL A 49 -14.746 -11.329 -3.078 1.00 0.00 O ATOM 767 CB VAL A 49 -12.129 -9.333 -4.016 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.772 -10.545 -4.863 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.686 -8.047 -4.697 1.00 0.00 C ATOM 0 H VAL A 49 -13.286 -7.368 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.184 -9.457 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.600 -9.415 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.699 -10.552 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.052 -11.455 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.309 -10.498 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.614 -8.089 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.221 -7.931 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.905 -7.198 -4.049 1.00 0.00 H new ATOM 779 N LEU A 50 -13.430 -10.333 -1.549 1.00 0.00 N ATOM 780 CA LEU A 50 -13.681 -11.336 -0.520 1.00 0.00 C ATOM 781 C LEU A 50 -15.122 -11.830 -0.581 1.00 0.00 C ATOM 782 O LEU A 50 -15.375 -13.011 -0.817 1.00 0.00 O ATOM 783 CB LEU A 50 -13.386 -10.758 0.866 1.00 0.00 C ATOM 784 CG LEU A 50 -12.039 -10.051 1.025 1.00 0.00 C ATOM 785 CD1 LEU A 50 -11.908 -9.462 2.421 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.895 -11.013 0.741 1.00 0.00 C ATOM 0 H LEU A 50 -12.800 -9.583 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.019 -12.182 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.177 -10.052 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.437 -11.568 1.594 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.990 -9.236 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.944 -8.963 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.708 -8.741 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.978 -10.260 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.944 -10.493 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.940 -11.849 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.979 -11.388 -0.279 1.00 0.00 H new ATOM 798 N GLY A 51 -16.065 -10.918 -0.367 1.00 0.00 N ATOM 799 CA GLY A 51 -17.470 -11.280 -0.404 1.00 0.00 C ATOM 800 C GLY A 51 -17.876 -11.891 -1.730 1.00 0.00 C ATOM 801 O GLY A 51 -18.797 -12.706 -1.790 1.00 0.00 O ATOM 0 H GLY A 51 -15.881 -9.935 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.681 -11.987 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.076 -10.394 -0.215 1.00 0.00 H new ATOM 805 N ALA A 52 -17.189 -11.497 -2.797 1.00 0.00 N ATOM 806 CA ALA A 52 -17.484 -12.012 -4.129 1.00 0.00 C ATOM 807 C ALA A 52 -16.982 -13.444 -4.287 1.00 0.00 C ATOM 808 O ALA A 52 -17.610 -14.261 -4.958 1.00 0.00 O ATOM 809 CB ALA A 52 -16.866 -11.114 -5.190 1.00 0.00 C ATOM 0 H ALA A 52 -16.424 -10.823 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.566 -12.018 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.094 -11.510 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.275 -10.108 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.785 -11.080 -5.053 1.00 0.00 H new ATOM 815 N ASN A 53 -15.846 -13.740 -3.664 1.00 0.00 N ATOM 816 CA ASN A 53 -15.259 -15.073 -3.737 1.00 0.00 C ATOM 817 C ASN A 53 -15.633 -15.900 -2.511 1.00 0.00 C ATOM 818 O ASN A 53 -14.825 -16.678 -2.005 1.00 0.00 O ATOM 819 CB ASN A 53 -13.737 -14.977 -3.857 1.00 0.00 C ATOM 820 CG ASN A 53 -13.284 -14.715 -5.281 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.544 -15.507 -5.864 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.728 -13.598 -5.846 1.00 0.00 N ATOM 0 H ASN A 53 -15.314 -13.075 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.656 -15.569 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.374 -14.178 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.288 -15.904 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.457 -13.367 -6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.340 -12.971 -5.324 1.00 0.00 H new ATOM 829 N ASN A 54 -16.863 -15.725 -2.038 1.00 0.00 N ATOM 830 CA ASN A 54 -17.344 -16.454 -0.871 1.00 0.00 C ATOM 831 C ASN A 54 -16.288 -16.476 0.230 1.00 0.00 C ATOM 832 O ASN A 54 -16.017 -17.521 0.823 1.00 0.00 O ATOM 833 CB ASN A 54 -17.722 -17.885 -1.259 1.00 0.00 C ATOM 834 CG ASN A 54 -18.770 -17.930 -2.354 1.00 0.00 C ATOM 835 OD1 ASN A 54 -18.475 -18.280 -3.497 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.002 -17.573 -2.010 1.00 0.00 N ATOM 0 H ASN A 54 -17.544 -15.084 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.228 -15.941 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.830 -18.416 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.096 -18.410 -0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.748 -17.582 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.202 -17.290 -1.051 1.00 0.00 H new ATOM 843 N CYS A 55 -15.697 -15.318 0.498 1.00 0.00 N ATOM 844 CA CYS A 55 -14.670 -15.203 1.528 1.00 0.00 C ATOM 845 C CYS A 55 -15.190 -14.418 2.728 1.00 0.00 C ATOM 846 O CYS A 55 -16.062 -13.560 2.591 1.00 0.00 O ATOM 847 CB CYS A 55 -13.423 -14.525 0.961 1.00 0.00 C ATOM 848 SG CYS A 55 -12.736 -15.344 -0.497 1.00 0.00 S ATOM 0 H CYS A 55 -15.911 -14.445 0.017 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.408 -16.208 1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.668 -13.494 0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.659 -14.487 1.737 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.629 -16.138 -1.010 1.00 0.00 H new ATOM 854 N ASP A 56 -14.649 -14.718 3.904 1.00 0.00 N ATOM 855 CA ASP A 56 -15.058 -14.041 5.129 1.00 0.00 C ATOM 856 C ASP A 56 -13.947 -13.130 5.643 1.00 0.00 C ATOM 857 O ASP A 56 -12.764 -13.442 5.511 1.00 0.00 O ATOM 858 CB ASP A 56 -15.432 -15.065 6.202 1.00 0.00 C ATOM 859 CG ASP A 56 -15.784 -14.414 7.526 1.00 0.00 C ATOM 860 OD1 ASP A 56 -16.894 -13.853 7.633 1.00 0.00 O ATOM 861 OD2 ASP A 56 -14.949 -14.465 8.453 1.00 0.00 O ATOM 0 H ASP A 56 -13.926 -15.426 4.035 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.930 -13.428 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.279 -15.658 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.600 -15.754 6.349 1.00 0.00 H new ATOM 866 N TYR A 57 -14.337 -12.003 6.227 1.00 0.00 N ATOM 867 CA TYR A 57 -13.375 -11.044 6.758 1.00 0.00 C ATOM 868 C TYR A 57 -13.897 -10.400 8.038 1.00 0.00 C ATOM 869 O TYR A 57 -15.071 -10.041 8.131 1.00 0.00 O ATOM 870 CB TYR A 57 -13.072 -9.965 5.717 1.00 0.00 C ATOM 871 CG TYR A 57 -14.298 -9.470 4.983 1.00 0.00 C ATOM 872 CD1 TYR A 57 -14.864 -10.215 3.956 1.00 0.00 C ATOM 873 CD2 TYR A 57 -14.890 -8.259 5.318 1.00 0.00 C ATOM 874 CE1 TYR A 57 -15.984 -9.766 3.282 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.011 -7.803 4.651 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.554 -8.560 3.634 1.00 0.00 C ATOM 877 OH TYR A 57 -17.670 -8.110 2.966 1.00 0.00 O ATOM 0 H TYR A 57 -15.313 -11.731 6.345 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.456 -11.581 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.589 -9.122 6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.360 -10.361 4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.421 -11.161 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.467 -7.664 6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.411 -10.356 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.459 -6.859 4.924 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.947 -7.246 3.336 1.00 0.00 H new ATOM 887 N GLU A 58 -13.016 -10.256 9.023 1.00 0.00 N ATOM 888 CA GLU A 58 -13.387 -9.655 10.298 1.00 0.00 C ATOM 889 C GLU A 58 -12.460 -8.494 10.643 1.00 0.00 C ATOM 890 O GLU A 58 -11.319 -8.699 11.055 1.00 0.00 O ATOM 891 CB GLU A 58 -13.346 -10.703 11.413 1.00 0.00 C ATOM 892 CG GLU A 58 -13.685 -10.146 12.785 1.00 0.00 C ATOM 893 CD GLU A 58 -15.180 -10.082 13.035 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.793 -9.046 12.703 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.735 -11.068 13.563 1.00 0.00 O ATOM 0 H GLU A 58 -12.040 -10.547 8.962 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.403 -9.271 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.045 -11.504 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.351 -11.147 11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.219 -10.766 13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.261 -9.147 12.882 1.00 0.00 H new ATOM 902 N GLN A 59 -12.960 -7.274 10.470 1.00 0.00 N ATOM 903 CA GLN A 59 -12.176 -6.080 10.762 1.00 0.00 C ATOM 904 C GLN A 59 -11.820 -6.010 12.243 1.00 0.00 C ATOM 905 O GLN A 59 -12.676 -5.738 13.085 1.00 0.00 O ATOM 906 CB GLN A 59 -12.948 -4.825 10.351 1.00 0.00 C ATOM 907 CG GLN A 59 -12.053 -3.674 9.920 1.00 0.00 C ATOM 908 CD GLN A 59 -12.664 -2.318 10.214 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.877 -2.194 10.385 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.824 -1.291 10.275 1.00 0.00 N ATOM 0 H GLN A 59 -13.903 -7.087 10.130 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.251 -6.134 10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.623 -5.075 9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.567 -4.499 11.187 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.093 -3.754 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.853 -3.754 8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.826 -1.439 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.177 -0.354 10.470 1.00 0.00 H new ATOM 919 N ARG A 60 -10.552 -6.258 12.554 1.00 0.00 N ATOM 920 CA ARG A 60 -10.084 -6.225 13.935 1.00 0.00 C ATOM 921 C ARG A 60 -9.653 -4.815 14.329 1.00 0.00 C ATOM 922 O ARG A 60 -9.891 -4.376 15.454 1.00 0.00 O ATOM 923 CB ARG A 60 -8.918 -7.197 14.123 1.00 0.00 C ATOM 924 CG ARG A 60 -9.343 -8.655 14.181 1.00 0.00 C ATOM 925 CD ARG A 60 -10.155 -8.949 15.433 1.00 0.00 C ATOM 926 NE ARG A 60 -10.541 -10.355 15.518 1.00 0.00 N ATOM 927 CZ ARG A 60 -11.556 -10.795 16.253 1.00 0.00 C ATOM 928 NH1 ARG A 60 -12.284 -9.944 16.962 1.00 0.00 N ATOM 929 NH2 ARG A 60 -11.846 -12.090 16.279 1.00 0.00 N ATOM 0 H ARG A 60 -9.831 -6.484 11.869 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.909 -6.528 14.580 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.211 -7.066 13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.390 -6.944 15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.933 -8.899 13.298 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.460 -9.294 14.160 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.573 -8.679 16.314 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.050 -8.327 15.439 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.002 -11.036 14.984 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.065 -8.948 16.944 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.063 -10.285 17.525 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.289 -12.748 15.734 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.626 -12.427 16.844 1.00 0.00 H new ATOM 943 N GLU A 61 -9.019 -4.112 13.396 1.00 0.00 N ATOM 944 CA GLU A 61 -8.554 -2.753 13.647 1.00 0.00 C ATOM 945 C GLU A 61 -8.901 -1.835 12.479 1.00 0.00 C ATOM 946 O GLU A 61 -9.560 -2.249 11.525 1.00 0.00 O ATOM 947 CB GLU A 61 -7.043 -2.743 13.888 1.00 0.00 C ATOM 948 CG GLU A 61 -6.618 -3.525 15.119 1.00 0.00 C ATOM 949 CD GLU A 61 -6.589 -2.670 16.371 1.00 0.00 C ATOM 950 OE1 GLU A 61 -5.706 -1.793 16.472 1.00 0.00 O ATOM 951 OE2 GLU A 61 -7.450 -2.879 17.251 1.00 0.00 O ATOM 0 H GLU A 61 -8.816 -4.461 12.459 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.059 -2.383 14.539 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.541 -3.157 13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.707 -1.711 13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.303 -4.360 15.269 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.629 -3.951 14.951 1.00 0.00 H new ATOM 958 N ARG A 62 -8.453 -0.587 12.562 1.00 0.00 N ATOM 959 CA ARG A 62 -8.716 0.391 11.514 1.00 0.00 C ATOM 960 C ARG A 62 -8.185 -0.097 10.169 1.00 0.00 C ATOM 961 O ARG A 62 -8.866 0.002 9.148 1.00 0.00 O ATOM 962 CB ARG A 62 -8.078 1.736 11.869 1.00 0.00 C ATOM 963 CG ARG A 62 -6.606 1.634 12.233 1.00 0.00 C ATOM 964 CD ARG A 62 -6.001 3.005 12.493 1.00 0.00 C ATOM 965 NE ARG A 62 -6.127 3.402 13.893 1.00 0.00 N ATOM 966 CZ ARG A 62 -5.447 4.406 14.436 1.00 0.00 C ATOM 967 NH1 ARG A 62 -4.598 5.110 13.701 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.616 4.707 15.717 1.00 0.00 N ATOM 0 H ARG A 62 -7.906 -0.229 13.345 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.796 0.519 11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.188 2.415 11.024 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.621 2.177 12.705 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.492 1.010 13.120 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.063 1.143 11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.948 2.996 12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.493 3.744 11.861 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.772 2.880 14.486 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.465 4.882 12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.077 5.880 14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.268 4.167 16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.093 5.478 16.133 1.00 0.00 H new ATOM 982 N PHE A 63 -6.965 -0.623 10.177 1.00 0.00 N ATOM 983 CA PHE A 63 -6.341 -1.125 8.958 1.00 0.00 C ATOM 984 C PHE A 63 -5.984 -2.602 9.098 1.00 0.00 C ATOM 985 O PHE A 63 -4.964 -3.058 8.580 1.00 0.00 O ATOM 986 CB PHE A 63 -5.086 -0.314 8.630 1.00 0.00 C ATOM 987 CG PHE A 63 -5.364 1.137 8.357 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.234 1.510 7.346 1.00 0.00 C ATOM 989 CD2 PHE A 63 -4.756 2.126 9.112 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.491 2.844 7.092 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.009 3.462 8.864 1.00 0.00 C ATOM 992 CZ PHE A 63 -5.879 3.821 7.853 1.00 0.00 C ATOM 0 H PHE A 63 -6.389 -0.713 11.014 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.057 -1.018 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.386 -0.391 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.597 -0.752 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.717 0.750 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.076 1.850 9.904 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.170 3.122 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.527 4.224 9.459 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.080 4.864 7.658 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.830 -3.345 9.803 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.605 -4.771 10.013 1.00 0.00 C ATOM 1004 C LEU A 64 -7.882 -5.567 9.762 1.00 0.00 C ATOM 1005 O LEU A 64 -8.921 -5.301 10.368 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.104 -5.024 11.436 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.433 -6.375 11.681 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -3.947 -6.299 11.367 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.653 -6.828 13.118 1.00 0.00 C ATOM 0 H LEU A 64 -7.678 -2.984 10.239 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.847 -5.102 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.396 -4.237 11.696 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.948 -4.931 12.119 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.887 -7.109 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.487 -7.270 11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.810 -6.021 10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.478 -5.551 12.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.168 -7.792 13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.227 -6.093 13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.722 -6.924 13.310 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.796 -6.545 8.867 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.945 -7.382 8.538 1.00 0.00 C ATOM 1023 C LEU A 65 -8.559 -8.858 8.533 1.00 0.00 C ATOM 1024 O LEU A 65 -7.624 -9.264 7.843 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.513 -6.988 7.173 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.525 -5.842 7.174 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.487 -5.095 5.849 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.926 -6.367 7.452 1.00 0.00 C ATOM 0 H LEU A 65 -6.944 -6.778 8.357 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.707 -7.227 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.683 -6.713 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.987 -7.865 6.732 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.255 -5.146 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.214 -4.283 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.489 -4.685 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.731 -5.781 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.633 -5.537 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.205 -7.085 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.945 -6.856 8.426 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.287 -9.657 9.306 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.022 -11.088 9.391 1.00 0.00 C ATOM 1042 C PHE A 66 -9.721 -11.838 8.261 1.00 0.00 C ATOM 1043 O PHE A 66 -10.889 -12.211 8.378 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.484 -11.635 10.743 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.861 -12.954 11.101 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.584 -13.010 11.634 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.554 -14.138 10.905 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.008 -14.223 11.963 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -8.984 -15.354 11.232 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.709 -15.396 11.763 1.00 0.00 C ATOM 0 H PHE A 66 -10.065 -9.337 9.883 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.947 -11.239 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.248 -10.908 11.520 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.568 -11.746 10.730 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.032 -12.096 11.794 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.551 -14.110 10.492 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.011 -14.253 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.534 -16.270 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.261 -16.344 12.021 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.998 -12.055 7.168 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.548 -12.760 6.015 1.00 0.00 C ATOM 1062 C CYS A 67 -9.434 -14.270 6.195 1.00 0.00 C ATOM 1063 O CYS A 67 -8.439 -14.770 6.720 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.826 -12.331 4.737 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.980 -10.570 4.357 1.00 0.00 S ATOM 0 H CYS A 67 -8.030 -11.753 7.056 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.604 -12.501 5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.769 -12.581 4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.219 -12.908 3.900 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.333 -10.304 3.261 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.461 -14.992 5.758 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.477 -16.445 5.872 1.00 0.00 C ATOM 1073 C VAL A 68 -11.362 -17.071 4.800 1.00 0.00 C ATOM 1074 O VAL A 68 -12.555 -16.778 4.715 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.975 -16.895 7.259 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.456 -16.591 7.419 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.699 -18.376 7.469 1.00 0.00 C ATOM 0 H VAL A 68 -11.293 -14.594 5.322 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.450 -16.784 5.735 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.431 -16.337 8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.790 -16.916 8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.621 -15.518 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.021 -17.120 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.057 -18.677 8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.215 -18.955 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.627 -18.559 7.401 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.770 -17.935 3.981 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.505 -18.603 2.914 1.00 0.00 C ATOM 1089 C HIS A 69 -11.772 -20.063 3.269 1.00 0.00 C ATOM 1090 O HIS A 69 -10.970 -20.704 3.946 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.727 -18.521 1.600 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.348 -19.305 0.486 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -11.290 -20.681 0.411 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.044 -18.900 -0.602 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.922 -21.087 -0.676 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.389 -20.026 -1.308 1.00 0.00 N ATOM 0 H HIS A 69 -9.784 -18.188 4.036 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.462 -18.095 2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.649 -17.476 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.712 -18.882 1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.284 -17.880 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -12.037 -22.113 -0.994 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.920 -20.040 -2.179 1.00 0.00 H new ATOM 1105 N GLY A 70 -12.907 -20.582 2.809 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.260 -21.961 3.089 1.00 0.00 C ATOM 1107 C GLY A 70 -14.755 -22.202 3.026 1.00 0.00 C ATOM 1108 O GLY A 70 -15.490 -21.826 3.938 1.00 0.00 O ATOM 0 H GLY A 70 -13.588 -20.071 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.760 -22.613 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.893 -22.233 4.079 1.00 0.00 H new ATOM 1112 N ASP A 71 -15.206 -22.828 1.944 1.00 0.00 N ATOM 1113 CA ASP A 71 -16.624 -23.118 1.764 1.00 0.00 C ATOM 1114 C ASP A 71 -17.177 -23.888 2.959 1.00 0.00 C ATOM 1115 O ASP A 71 -18.382 -23.890 3.206 1.00 0.00 O ATOM 1116 CB ASP A 71 -16.843 -23.918 0.480 1.00 0.00 C ATOM 1117 CG ASP A 71 -18.234 -24.516 0.401 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -19.191 -23.760 0.128 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -18.366 -25.740 0.611 1.00 0.00 O ATOM 0 H ASP A 71 -14.610 -23.144 1.179 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.157 -22.170 1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.680 -23.270 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.103 -24.717 0.422 1.00 0.00 H new ATOM 1124 N GLY A 72 -16.287 -24.544 3.698 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.705 -25.310 4.857 1.00 0.00 C ATOM 1126 C GLY A 72 -15.895 -26.578 5.037 1.00 0.00 C ATOM 1127 O GLY A 72 -16.405 -27.585 5.531 1.00 0.00 O ATOM 0 H GLY A 72 -15.284 -24.558 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.610 -24.692 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.760 -25.567 4.758 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.629 -26.532 4.634 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.747 -27.688 4.753 1.00 0.00 C ATOM 1133 C HIS A 73 -12.316 -27.250 5.052 1.00 0.00 C ATOM 1134 O HIS A 73 -11.737 -26.446 4.322 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.781 -28.516 3.468 1.00 0.00 C ATOM 1136 CG HIS A 73 -15.106 -28.486 2.771 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.270 -28.021 1.484 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -16.335 -28.870 3.190 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -16.542 -28.118 1.141 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -17.210 -28.631 2.159 1.00 0.00 N ATOM 0 H HIS A 73 -14.191 -25.708 4.223 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.102 -28.302 5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.013 -28.147 2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.528 -29.549 3.705 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -14.525 -27.658 0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.581 -29.287 4.155 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.964 -27.827 0.190 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.752 -27.784 6.130 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.389 -27.450 6.525 1.00 0.00 C ATOM 1151 C ALA A 74 -9.398 -27.791 5.418 1.00 0.00 C ATOM 1152 O ALA A 74 -8.332 -27.185 5.320 1.00 0.00 O ATOM 1153 CB ALA A 74 -10.019 -28.176 7.810 1.00 0.00 C ATOM 0 H ALA A 74 -12.218 -28.450 6.746 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.341 -26.375 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.999 -27.917 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.703 -27.879 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.090 -29.252 7.653 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.757 -28.765 4.588 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.896 -29.187 3.489 1.00 0.00 C ATOM 1161 C GLU A 75 -8.614 -28.024 2.542 1.00 0.00 C ATOM 1162 O GLU A 75 -7.583 -27.993 1.870 1.00 0.00 O ATOM 1163 CB GLU A 75 -9.543 -30.340 2.719 1.00 0.00 C ATOM 1164 CG GLU A 75 -10.991 -30.081 2.337 1.00 0.00 C ATOM 1165 CD GLU A 75 -11.589 -31.209 1.520 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -11.591 -32.359 2.007 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -12.057 -30.942 0.393 1.00 0.00 O ATOM 0 H GLU A 75 -10.637 -29.276 4.655 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.951 -29.527 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.966 -30.530 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.492 -31.244 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.582 -29.940 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.052 -29.153 1.768 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.537 -27.070 2.494 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.389 -25.905 1.629 1.00 0.00 C ATOM 1176 C ASN A 76 -9.591 -24.613 2.416 1.00 0.00 C ATOM 1177 O ASN A 76 -9.984 -23.588 1.858 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.388 -25.972 0.472 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.779 -26.364 0.932 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.249 -27.468 0.656 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.446 -25.458 1.638 1.00 0.00 N ATOM 0 H ASN A 76 -10.396 -27.080 3.044 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.376 -25.910 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.432 -25.002 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.036 -26.692 -0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.386 -25.665 1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.018 -24.555 1.844 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.320 -24.670 3.715 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.471 -23.505 4.580 1.00 0.00 C ATOM 1190 C LEU A 77 -8.134 -22.801 4.784 1.00 0.00 C ATOM 1191 O LEU A 77 -7.105 -23.446 4.986 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.052 -23.922 5.933 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.644 -22.798 6.784 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.113 -22.591 6.449 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.470 -23.102 8.265 1.00 0.00 C ATOM 0 H LEU A 77 -8.995 -25.510 4.193 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.156 -22.810 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.829 -24.666 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.266 -24.411 6.508 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.108 -21.876 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.517 -21.787 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.212 -22.327 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.664 -23.511 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.897 -22.291 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.979 -24.035 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.409 -23.198 8.495 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.156 -21.473 4.731 1.00 0.00 N ATOM 1208 CA VAL A 78 -6.946 -20.680 4.913 1.00 0.00 C ATOM 1209 C VAL A 78 -7.244 -19.387 5.662 1.00 0.00 C ATOM 1210 O VAL A 78 -8.181 -18.664 5.323 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.290 -20.339 3.562 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.069 -19.455 3.768 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -5.917 -21.611 2.815 1.00 0.00 C ATOM 0 H VAL A 78 -8.999 -20.924 4.563 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.256 -21.286 5.501 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.010 -19.787 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.619 -19.225 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.369 -18.529 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.343 -19.977 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.455 -21.351 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.215 -22.191 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.814 -22.203 2.633 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.440 -19.100 6.681 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.618 -17.893 7.478 1.00 0.00 C ATOM 1225 C GLN A 79 -5.473 -16.913 7.246 1.00 0.00 C ATOM 1226 O GLN A 79 -4.302 -17.277 7.350 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.710 -18.246 8.964 1.00 0.00 C ATOM 1228 CG GLN A 79 -7.955 -19.040 9.325 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.769 -19.879 10.574 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.178 -19.430 11.556 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.275 -21.107 10.542 1.00 0.00 N ATOM 0 H GLN A 79 -5.659 -19.687 6.974 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.548 -17.417 7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.828 -18.820 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.693 -17.326 9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.789 -18.354 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.222 -19.690 8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.757 -21.438 9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.181 -21.719 11.353 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.819 -15.670 6.930 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.819 -14.638 6.682 1.00 0.00 C ATOM 1242 C TRP A 80 -5.366 -13.257 7.024 1.00 0.00 C ATOM 1243 O TRP A 80 -6.544 -12.975 6.808 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.370 -14.674 5.220 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.362 -14.060 4.279 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.385 -12.766 3.842 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.476 -14.714 3.661 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.446 -12.577 2.989 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.130 -13.756 2.861 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.983 -16.015 3.703 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.264 -14.061 2.113 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.108 -16.316 2.960 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.739 -15.343 2.173 1.00 0.00 C ATOM 0 H TRP A 80 -6.784 -15.353 6.840 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.961 -14.838 7.323 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.419 -14.150 5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.194 -15.709 4.927 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.674 -12.004 4.125 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.685 -11.700 2.526 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.504 -16.772 4.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.752 -13.312 1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.508 -17.319 2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.617 -15.610 1.603 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.503 -12.399 7.560 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.903 -11.047 7.933 1.00 0.00 C ATOM 1266 C GLU A 81 -4.391 -10.029 6.918 1.00 0.00 C ATOM 1267 O GLU A 81 -3.186 -9.900 6.706 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.375 -10.702 9.327 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.218 -11.274 10.455 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.775 -10.784 11.820 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.560 -10.560 12.004 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.642 -10.626 12.705 1.00 0.00 O ATOM 0 H GLU A 81 -3.524 -12.616 7.745 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.992 -11.008 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.355 -11.074 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.330 -9.618 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.262 -11.003 10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.164 -12.362 10.428 1.00 0.00 H new ATOM 1279 N MET A 82 -5.317 -9.310 6.292 1.00 0.00 N ATOM 1280 CA MET A 82 -4.960 -8.303 5.299 1.00 0.00 C ATOM 1281 C MET A 82 -4.846 -6.923 5.940 1.00 0.00 C ATOM 1282 O MET A 82 -5.853 -6.266 6.201 1.00 0.00 O ATOM 1283 CB MET A 82 -5.998 -8.272 4.176 1.00 0.00 C ATOM 1284 CG MET A 82 -5.869 -9.428 3.197 1.00 0.00 C ATOM 1285 SD MET A 82 -7.069 -9.339 1.855 1.00 0.00 S ATOM 1286 CE MET A 82 -6.224 -8.242 0.718 1.00 0.00 C ATOM 0 H MET A 82 -6.319 -9.406 6.454 1.00 0.00 H new ATOM 0 HA MET A 82 -3.990 -8.571 4.880 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.996 -8.287 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.904 -7.333 3.631 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.862 -9.434 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.998 -10.369 3.733 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.416 -8.562 -0.306 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.589 -7.224 0.855 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.152 -8.272 0.913 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.614 -6.492 6.192 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.371 -5.191 6.804 1.00 0.00 C ATOM 1298 C GLU A 83 -2.645 -4.262 5.836 1.00 0.00 C ATOM 1299 O GLU A 83 -1.565 -4.585 5.340 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.552 -5.351 8.087 1.00 0.00 C ATOM 1301 CG GLU A 83 -2.001 -4.041 8.624 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.642 -4.119 10.095 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.694 -4.857 10.437 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -2.309 -3.441 10.905 1.00 0.00 O ATOM 0 H GLU A 83 -2.770 -7.024 5.982 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.336 -4.748 7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.176 -5.813 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.723 -6.033 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.116 -3.762 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.739 -3.253 8.475 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.245 -3.106 5.571 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.657 -2.129 4.663 1.00 0.00 C ATOM 1313 C VAL A 84 -1.406 -1.501 5.268 1.00 0.00 C ATOM 1314 O VAL A 84 -1.491 -0.547 6.042 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.659 -1.014 4.312 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.076 -0.083 3.260 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -4.975 -1.612 3.836 1.00 0.00 C ATOM 0 H VAL A 84 -4.139 -2.823 5.973 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.388 -2.665 3.753 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.855 -0.429 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.799 0.698 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.162 0.371 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.849 -0.651 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.672 -0.810 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.798 -2.221 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.399 -2.233 4.625 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.247 -2.041 4.909 1.00 0.00 N ATOM 1328 CA CYS A 85 1.023 -1.533 5.417 1.00 0.00 C ATOM 1329 C CYS A 85 1.391 -0.216 4.741 1.00 0.00 C ATOM 1330 O CYS A 85 1.064 0.009 3.576 1.00 0.00 O ATOM 1331 CB CYS A 85 2.133 -2.562 5.195 1.00 0.00 C ATOM 1332 SG CYS A 85 3.500 -2.438 6.372 1.00 0.00 S ATOM 0 H CYS A 85 -0.160 -2.830 4.269 1.00 0.00 H new ATOM 0 HA CYS A 85 0.913 -1.353 6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.704 -3.562 5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.526 -2.445 4.185 1.00 0.00 H new ATOM 0 HG CYS A 85 4.550 -3.027 5.881 1.00 0.00 H new ATOM 1338 N LYS A 86 2.072 0.652 5.482 1.00 0.00 N ATOM 1339 CA LYS A 86 2.485 1.948 4.956 1.00 0.00 C ATOM 1340 C LYS A 86 4.004 2.035 4.855 1.00 0.00 C ATOM 1341 O LYS A 86 4.704 2.051 5.869 1.00 0.00 O ATOM 1342 CB LYS A 86 1.957 3.075 5.846 1.00 0.00 C ATOM 1343 CG LYS A 86 2.045 4.449 5.205 1.00 0.00 C ATOM 1344 CD LYS A 86 0.936 5.365 5.695 1.00 0.00 C ATOM 1345 CE LYS A 86 1.361 6.145 6.929 1.00 0.00 C ATOM 1346 NZ LYS A 86 0.210 6.839 7.571 1.00 0.00 N ATOM 0 H LYS A 86 2.350 0.481 6.449 1.00 0.00 H new ATOM 0 HA LYS A 86 2.065 2.056 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.918 2.868 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.519 3.082 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.013 4.896 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.984 4.350 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.659 6.060 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.049 4.774 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.822 5.466 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.118 6.878 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.541 7.359 8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.214 7.506 6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.502 6.137 7.859 1.00 0.00 H new ATOM 1360 N LEU A 87 4.509 2.093 3.628 1.00 0.00 N ATOM 1361 CA LEU A 87 5.947 2.180 3.395 1.00 0.00 C ATOM 1362 C LEU A 87 6.574 3.267 4.262 1.00 0.00 C ATOM 1363 O LEU A 87 5.933 4.254 4.624 1.00 0.00 O ATOM 1364 CB LEU A 87 6.227 2.465 1.918 1.00 0.00 C ATOM 1365 CG LEU A 87 6.317 1.243 1.004 1.00 0.00 C ATOM 1366 CD1 LEU A 87 4.944 0.885 0.455 1.00 0.00 C ATOM 1367 CD2 LEU A 87 7.298 1.497 -0.132 1.00 0.00 C ATOM 0 H LEU A 87 3.944 2.081 2.779 1.00 0.00 H new ATOM 0 HA LEU A 87 6.393 1.223 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.442 3.120 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.164 3.017 1.846 1.00 0.00 H new ATOM 0 HG LEU A 87 6.682 0.400 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.028 0.013 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.269 0.660 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.550 1.726 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.349 0.616 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.963 2.353 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.286 1.704 0.280 1.00 0.00 H new ATOM 1379 N PRO A 88 7.858 3.084 4.604 1.00 0.00 N ATOM 1380 CA PRO A 88 8.601 4.039 5.431 1.00 0.00 C ATOM 1381 C PRO A 88 8.880 5.346 4.697 1.00 0.00 C ATOM 1382 O PRO A 88 9.039 6.397 5.319 1.00 0.00 O ATOM 1383 CB PRO A 88 9.910 3.305 5.732 1.00 0.00 C ATOM 1384 CG PRO A 88 10.074 2.344 4.605 1.00 0.00 C ATOM 1385 CD PRO A 88 8.683 1.930 4.209 1.00 0.00 C ATOM 0 HA PRO A 88 8.043 4.327 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.749 3.998 5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.862 2.787 6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.596 2.809 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.666 1.481 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.612 1.732 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.373 1.020 4.723 1.00 0.00 H new ATOM 1393 N ARG A 89 8.939 5.274 3.371 1.00 0.00 N ATOM 1394 CA ARG A 89 9.200 6.452 2.553 1.00 0.00 C ATOM 1395 C ARG A 89 7.943 6.883 1.803 1.00 0.00 C ATOM 1396 O ARG A 89 8.004 7.705 0.888 1.00 0.00 O ATOM 1397 CB ARG A 89 10.328 6.169 1.559 1.00 0.00 C ATOM 1398 CG ARG A 89 11.711 6.496 2.098 1.00 0.00 C ATOM 1399 CD ARG A 89 12.673 6.863 0.978 1.00 0.00 C ATOM 1400 NE ARG A 89 13.006 5.712 0.144 1.00 0.00 N ATOM 1401 CZ ARG A 89 13.677 5.802 -0.999 1.00 0.00 C ATOM 1402 NH1 ARG A 89 14.085 6.984 -1.441 1.00 0.00 N ATOM 1403 NH2 ARG A 89 13.943 4.709 -1.702 1.00 0.00 N ATOM 0 H ARG A 89 8.810 4.412 2.841 1.00 0.00 H new ATOM 0 HA ARG A 89 9.503 7.263 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.297 5.117 1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.155 6.747 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.641 7.323 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.101 5.639 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.229 7.643 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.586 7.277 1.406 1.00 0.00 H new ATOM 0 HE ARG A 89 12.707 4.788 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.884 7.827 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.600 7.050 -2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.632 3.798 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.458 4.780 -2.579 1.00 0.00 H new ATOM 1417 N LEU A 90 6.805 6.323 2.197 1.00 0.00 N ATOM 1418 CA LEU A 90 5.532 6.649 1.563 1.00 0.00 C ATOM 1419 C LEU A 90 5.651 6.589 0.043 1.00 0.00 C ATOM 1420 O LEU A 90 4.970 7.324 -0.672 1.00 0.00 O ATOM 1421 CB LEU A 90 5.065 8.040 1.995 1.00 0.00 C ATOM 1422 CG LEU A 90 4.168 8.092 3.232 1.00 0.00 C ATOM 1423 CD1 LEU A 90 5.000 8.311 4.486 1.00 0.00 C ATOM 1424 CD2 LEU A 90 3.122 9.188 3.086 1.00 0.00 C ATOM 0 H LEU A 90 6.737 5.641 2.952 1.00 0.00 H new ATOM 0 HA LEU A 90 4.796 5.911 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.945 8.655 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.529 8.496 1.163 1.00 0.00 H new ATOM 0 HG LEU A 90 3.653 7.136 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.344 8.345 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.710 7.492 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.542 9.253 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.492 9.211 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.618 10.151 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.505 8.988 2.210 1.00 0.00 H new ATOM 1436 N SER A 91 6.518 5.707 -0.443 1.00 0.00 N ATOM 1437 CA SER A 91 6.727 5.552 -1.878 1.00 0.00 C ATOM 1438 C SER A 91 5.462 5.037 -2.559 1.00 0.00 C ATOM 1439 O SER A 91 5.251 5.258 -3.752 1.00 0.00 O ATOM 1440 CB SER A 91 7.890 4.595 -2.145 1.00 0.00 C ATOM 1441 OG SER A 91 8.531 4.900 -3.372 1.00 0.00 O ATOM 0 H SER A 91 7.087 5.089 0.135 1.00 0.00 H new ATOM 0 HA SER A 91 6.969 6.531 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.611 4.657 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.523 3.569 -2.168 1.00 0.00 H new ATOM 0 HG SER A 91 9.271 4.275 -3.518 1.00 0.00 H new ATOM 1447 N LEU A 92 4.624 4.349 -1.792 1.00 0.00 N ATOM 1448 CA LEU A 92 3.379 3.801 -2.319 1.00 0.00 C ATOM 1449 C LEU A 92 2.545 3.175 -1.206 1.00 0.00 C ATOM 1450 O LEU A 92 2.903 3.251 -0.031 1.00 0.00 O ATOM 1451 CB LEU A 92 3.674 2.759 -3.399 1.00 0.00 C ATOM 1452 CG LEU A 92 4.324 1.461 -2.919 1.00 0.00 C ATOM 1453 CD1 LEU A 92 3.262 0.434 -2.559 1.00 0.00 C ATOM 1454 CD2 LEU A 92 5.263 0.910 -3.983 1.00 0.00 C ATOM 0 H LEU A 92 4.784 4.157 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 92 2.808 4.619 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.739 2.510 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.325 3.213 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 92 4.908 1.678 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.743 -0.483 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.630 0.828 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.651 0.220 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.717 -0.014 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.701 0.708 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.044 1.641 -4.192 1.00 0.00 H new ATOM 1466 N ASN A 93 1.433 2.553 -1.585 1.00 0.00 N ATOM 1467 CA ASN A 93 0.549 1.911 -0.619 1.00 0.00 C ATOM 1468 C ASN A 93 0.151 0.516 -1.089 1.00 0.00 C ATOM 1469 O ASN A 93 -0.892 0.334 -1.715 1.00 0.00 O ATOM 1470 CB ASN A 93 -0.703 2.763 -0.397 1.00 0.00 C ATOM 1471 CG ASN A 93 -0.476 4.223 -0.738 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -0.578 5.096 0.124 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -0.167 4.495 -2.000 1.00 0.00 N ATOM 0 H ASN A 93 1.123 2.480 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 93 1.089 1.817 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.518 2.373 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.016 2.680 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.003 5.460 -2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.093 3.739 -2.681 1.00 0.00 H new ATOM 1480 N GLY A 94 0.991 -0.469 -0.781 1.00 0.00 N ATOM 1481 CA GLY A 94 0.710 -1.835 -1.179 1.00 0.00 C ATOM 1482 C GLY A 94 0.021 -2.628 -0.085 1.00 0.00 C ATOM 1483 O GLY A 94 0.102 -2.276 1.092 1.00 0.00 O ATOM 0 H GLY A 94 1.861 -0.344 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.082 -1.829 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.642 -2.330 -1.450 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.661 -3.700 -0.473 1.00 0.00 N ATOM 1488 CA VAL A 95 -1.368 -4.545 0.482 1.00 0.00 C ATOM 1489 C VAL A 95 -0.528 -5.756 0.872 1.00 0.00 C ATOM 1490 O VAL A 95 -0.263 -6.631 0.048 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.715 -5.029 -0.085 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.492 -5.801 0.970 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -3.528 -3.853 -0.604 1.00 0.00 C ATOM 0 H VAL A 95 -0.739 -4.005 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.553 -3.935 1.366 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.517 -5.701 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.441 -6.135 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.911 -6.667 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.681 -5.155 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.477 -4.214 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.718 -3.154 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.973 -3.347 -1.394 1.00 0.00 H new ATOM 1503 N ARG A 96 -0.111 -5.799 2.133 1.00 0.00 N ATOM 1504 CA ARG A 96 0.700 -6.903 2.633 1.00 0.00 C ATOM 1505 C ARG A 96 -0.182 -8.041 3.137 1.00 0.00 C ATOM 1506 O ARG A 96 -1.193 -7.810 3.800 1.00 0.00 O ATOM 1507 CB ARG A 96 1.620 -6.421 3.756 1.00 0.00 C ATOM 1508 CG ARG A 96 2.924 -5.818 3.258 1.00 0.00 C ATOM 1509 CD ARG A 96 3.999 -5.853 4.332 1.00 0.00 C ATOM 1510 NE ARG A 96 5.214 -5.159 3.913 1.00 0.00 N ATOM 1511 CZ ARG A 96 6.198 -4.832 4.745 1.00 0.00 C ATOM 1512 NH1 ARG A 96 6.110 -5.136 6.032 1.00 0.00 N ATOM 1513 NH2 ARG A 96 7.272 -4.201 4.288 1.00 0.00 N ATOM 0 H ARG A 96 -0.321 -5.082 2.827 1.00 0.00 H new ATOM 0 HA ARG A 96 1.309 -7.275 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.091 -5.679 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.845 -7.260 4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.267 -6.365 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.754 -4.788 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.616 -5.395 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.238 -6.889 4.572 1.00 0.00 H new ATOM 0 HE ARG A 96 5.313 -4.912 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.286 -5.622 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.866 -4.884 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.343 -3.967 3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.027 -3.950 4.927 1.00 0.00 H new ATOM 1527 N PHE A 97 0.207 -9.271 2.818 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.549 -10.445 3.237 1.00 0.00 C ATOM 1529 C PHE A 97 0.161 -11.171 4.377 1.00 0.00 C ATOM 1530 O PHE A 97 1.379 -11.075 4.526 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.747 -11.398 2.056 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.788 -10.933 1.079 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.731 -9.657 0.540 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.824 -11.770 0.698 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.687 -9.226 -0.360 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.783 -11.344 -0.202 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.715 -10.070 -0.731 1.00 0.00 C ATOM 0 H PHE A 97 1.042 -9.480 2.270 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.523 -10.111 3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.202 -11.519 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.029 -12.380 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.930 -8.992 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.883 -12.767 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.630 -8.230 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.585 -12.007 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.464 -9.735 -1.433 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.611 -11.896 5.179 1.00 0.00 N ATOM 1548 CA LYS A 98 -0.059 -12.639 6.306 1.00 0.00 C ATOM 1549 C LYS A 98 -0.833 -13.932 6.537 1.00 0.00 C ATOM 1550 O LYS A 98 -2.036 -13.908 6.799 1.00 0.00 O ATOM 1551 CB LYS A 98 -0.088 -11.781 7.573 1.00 0.00 C ATOM 1552 CG LYS A 98 0.172 -12.567 8.846 1.00 0.00 C ATOM 1553 CD LYS A 98 1.623 -13.009 8.942 1.00 0.00 C ATOM 1554 CE LYS A 98 1.778 -14.219 9.850 1.00 0.00 C ATOM 1555 NZ LYS A 98 2.924 -15.077 9.439 1.00 0.00 N ATOM 0 H LYS A 98 -1.621 -11.985 5.070 1.00 0.00 H new ATOM 0 HA LYS A 98 0.975 -12.892 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.659 -10.992 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.060 -11.293 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.081 -11.954 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.478 -13.441 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.998 -13.249 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.230 -12.187 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.924 -13.886 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.860 -14.806 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.996 -15.891 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.773 -15.416 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.804 -14.524 9.480 1.00 0.00 H new ATOM 1569 N ARG A 99 -0.136 -15.060 6.438 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.759 -16.363 6.637 1.00 0.00 C ATOM 1571 C ARG A 99 -0.815 -16.718 8.119 1.00 0.00 C ATOM 1572 O ARG A 99 0.216 -16.944 8.753 1.00 0.00 O ATOM 1573 CB ARG A 99 0.010 -17.441 5.871 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.526 -18.846 6.095 1.00 0.00 C ATOM 1575 CD ARG A 99 0.413 -19.898 5.526 1.00 0.00 C ATOM 1576 NE ARG A 99 1.700 -19.913 6.216 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.568 -20.916 6.132 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.287 -21.979 5.390 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.718 -20.857 6.789 1.00 0.00 N ATOM 0 H ARG A 99 0.860 -15.097 6.221 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.779 -16.313 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.025 -17.213 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.058 -17.409 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.663 -19.018 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.506 -18.941 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.052 -20.880 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.573 -19.706 4.465 1.00 0.00 H new ATOM 0 HE ARG A 99 1.946 -19.110 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.403 -22.028 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.954 -22.748 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.938 -20.041 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.383 -21.628 6.723 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.026 -16.766 8.666 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.216 -17.094 10.073 1.00 0.00 C ATOM 1595 C ILE A 100 -2.336 -18.601 10.274 1.00 0.00 C ATOM 1596 O ILE A 100 -2.029 -19.120 11.348 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.471 -16.410 10.646 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.206 -14.920 10.875 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.895 -17.083 11.943 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.476 -14.065 9.656 1.00 0.00 C ATOM 0 H ILE A 100 -2.890 -16.582 8.155 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.338 -16.727 10.604 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.283 -16.509 9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.828 -14.571 11.699 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.168 -14.786 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.783 -16.589 12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.118 -18.133 11.752 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.087 -17.011 12.671 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.267 -13.021 9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.835 -14.388 8.836 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.521 -14.169 9.363 1.00 0.00 H new ATOM 1612 N SER A 101 -2.781 -19.298 9.234 1.00 0.00 N ATOM 1613 CA SER A 101 -2.943 -20.746 9.297 1.00 0.00 C ATOM 1614 C SER A 101 -3.339 -21.308 7.935 1.00 0.00 C ATOM 1615 O SER A 101 -3.645 -20.560 7.007 1.00 0.00 O ATOM 1616 CB SER A 101 -3.998 -21.117 10.341 1.00 0.00 C ATOM 1617 OG SER A 101 -4.392 -22.472 10.209 1.00 0.00 O ATOM 0 H SER A 101 -3.036 -18.884 8.337 1.00 0.00 H new ATOM 0 HA SER A 101 -1.987 -21.182 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.600 -20.947 11.341 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.868 -20.470 10.230 1.00 0.00 H new ATOM 0 HG SER A 101 -5.065 -22.685 10.889 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.331 -22.633 7.823 1.00 0.00 N ATOM 1624 CA GLY A 102 -3.690 -23.274 6.572 1.00 0.00 C ATOM 1625 C GLY A 102 -2.481 -23.781 5.812 1.00 0.00 C ATOM 1626 O GLY A 102 -1.427 -24.030 6.399 1.00 0.00 O ATOM 0 H GLY A 102 -3.082 -23.274 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.363 -24.107 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.237 -22.566 5.949 1.00 0.00 H new ATOM 1630 N THR A 103 -2.630 -23.935 4.500 1.00 0.00 N ATOM 1631 CA THR A 103 -1.543 -24.418 3.658 1.00 0.00 C ATOM 1632 C THR A 103 -1.040 -23.321 2.727 1.00 0.00 C ATOM 1633 O THR A 103 -1.805 -22.457 2.299 1.00 0.00 O ATOM 1634 CB THR A 103 -1.981 -25.631 2.815 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.179 -25.319 2.094 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.217 -26.847 3.697 1.00 0.00 C ATOM 0 H THR A 103 -3.494 -23.732 3.997 1.00 0.00 H new ATOM 0 HA THR A 103 -0.737 -24.722 4.326 1.00 0.00 H new ATOM 0 HB THR A 103 -1.182 -25.863 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.450 -26.094 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.525 -27.690 3.079 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.296 -27.100 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.999 -26.624 4.423 1.00 0.00 H new ATOM 1644 N SER A 104 0.252 -23.362 2.416 1.00 0.00 N ATOM 1645 CA SER A 104 0.858 -22.368 1.538 1.00 0.00 C ATOM 1646 C SER A 104 0.182 -22.368 0.170 1.00 0.00 C ATOM 1647 O SER A 104 -0.315 -21.339 -0.289 1.00 0.00 O ATOM 1648 CB SER A 104 2.355 -22.643 1.379 1.00 0.00 C ATOM 1649 OG SER A 104 2.639 -24.023 1.525 1.00 0.00 O ATOM 0 H SER A 104 0.899 -24.072 2.759 1.00 0.00 H new ATOM 0 HA SER A 104 0.722 -21.386 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.688 -22.302 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.913 -22.073 2.122 1.00 0.00 H new ATOM 0 HG SER A 104 3.602 -24.172 1.417 1.00 0.00 H new ATOM 1655 N ILE A 105 0.168 -23.529 -0.476 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.447 -23.664 -1.791 1.00 0.00 C ATOM 1657 C ILE A 105 -1.715 -22.823 -1.893 1.00 0.00 C ATOM 1658 O ILE A 105 -1.767 -21.847 -2.641 1.00 0.00 O ATOM 1659 CB ILE A 105 -0.792 -25.132 -2.103 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.482 -25.924 -2.405 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.760 -25.211 -3.274 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.350 -25.292 -3.470 1.00 0.00 C ATOM 0 H ILE A 105 0.575 -24.390 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 105 0.282 -23.308 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.273 -25.571 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.063 -26.026 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.208 -26.930 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.994 -26.255 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.677 -24.676 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.304 -24.759 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.235 -25.908 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.787 -25.215 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.655 -24.297 -3.147 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.736 -23.208 -1.134 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.003 -22.487 -1.136 1.00 0.00 C ATOM 1676 C ALA A 106 -3.792 -21.005 -0.848 1.00 0.00 C ATOM 1677 O ALA A 106 -4.370 -20.144 -1.513 1.00 0.00 O ATOM 1678 CB ALA A 106 -4.957 -23.094 -0.117 1.00 0.00 C ATOM 0 H ALA A 106 -2.710 -24.015 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.443 -22.578 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.899 -22.546 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.142 -24.138 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.514 -23.033 0.877 1.00 0.00 H new ATOM 1684 N PHE A 107 -2.962 -20.712 0.147 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.676 -19.333 0.525 1.00 0.00 C ATOM 1686 C PHE A 107 -2.306 -18.500 -0.699 1.00 0.00 C ATOM 1687 O PHE A 107 -2.615 -17.310 -0.772 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.540 -19.287 1.549 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.250 -17.905 2.060 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.973 -17.377 3.118 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.255 -17.133 1.483 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.708 -16.106 3.592 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.015 -15.861 1.952 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.713 -15.347 3.007 1.00 0.00 C ATOM 0 H PHE A 107 -2.475 -21.412 0.707 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.576 -18.911 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.794 -19.931 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.637 -19.695 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.753 -17.966 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.317 -17.530 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.278 -15.707 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.794 -15.270 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.505 -14.353 3.374 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.642 -19.134 -1.660 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.229 -18.454 -2.882 1.00 0.00 C ATOM 1706 C LYS A 108 -2.307 -18.563 -3.956 1.00 0.00 C ATOM 1707 O LYS A 108 -2.676 -17.570 -4.581 1.00 0.00 O ATOM 1708 CB LYS A 108 0.084 -19.045 -3.401 1.00 0.00 C ATOM 1709 CG LYS A 108 1.298 -18.641 -2.582 1.00 0.00 C ATOM 1710 CD LYS A 108 2.473 -19.571 -2.832 1.00 0.00 C ATOM 1711 CE LYS A 108 2.440 -20.774 -1.902 1.00 0.00 C ATOM 1712 NZ LYS A 108 3.278 -21.894 -2.412 1.00 0.00 N ATOM 0 H LYS A 108 -1.378 -20.118 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.078 -17.400 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.006 -20.132 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.232 -18.730 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.582 -17.619 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.043 -18.652 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.456 -19.910 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.406 -19.026 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.792 -20.478 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.411 -21.114 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.228 -22.694 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.927 -22.194 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.265 -21.577 -2.499 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.810 -19.776 -4.162 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.847 -20.013 -5.160 1.00 0.00 C ATOM 1728 C ASN A 109 -4.963 -18.980 -5.041 1.00 0.00 C ATOM 1729 O ASN A 109 -5.463 -18.474 -6.046 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.422 -21.423 -5.002 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.583 -22.471 -5.707 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.842 -22.819 -6.859 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.570 -22.981 -5.015 1.00 0.00 N ATOM 0 H ASN A 109 -2.517 -20.609 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.395 -19.920 -6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.490 -21.668 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.437 -21.446 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.970 -23.690 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.392 -22.663 -4.062 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.348 -18.673 -3.807 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.403 -17.699 -3.557 1.00 0.00 C ATOM 1742 C ILE A 110 -5.869 -16.274 -3.647 1.00 0.00 C ATOM 1743 O ILE A 110 -6.589 -15.353 -4.031 1.00 0.00 O ATOM 1744 CB ILE A 110 -7.046 -17.908 -2.173 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.307 -17.052 -2.038 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.052 -17.574 -1.072 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.412 -17.449 -2.992 1.00 0.00 C ATOM 0 H ILE A 110 -4.945 -19.085 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.160 -17.850 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.329 -18.956 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.678 -17.124 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.047 -16.007 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.521 -17.727 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.180 -18.222 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.741 -16.533 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.274 -16.800 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.059 -17.350 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.699 -18.484 -2.805 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.600 -16.100 -3.291 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.968 -14.787 -3.335 1.00 0.00 C ATOM 1761 C ALA A 111 -3.975 -14.221 -4.751 1.00 0.00 C ATOM 1762 O ALA A 111 -4.062 -13.009 -4.944 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.544 -14.870 -2.805 1.00 0.00 C ATOM 0 H ALA A 111 -3.990 -16.851 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.543 -14.113 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.083 -13.883 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.560 -15.223 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.968 -15.563 -3.418 1.00 0.00 H new ATOM 1769 N SER A 112 -3.884 -15.107 -5.738 1.00 0.00 N ATOM 1770 CA SER A 112 -3.876 -14.694 -7.137 1.00 0.00 C ATOM 1771 C SER A 112 -5.175 -13.982 -7.500 1.00 0.00 C ATOM 1772 O SER A 112 -5.161 -12.909 -8.105 1.00 0.00 O ATOM 1773 CB SER A 112 -3.674 -15.907 -8.047 1.00 0.00 C ATOM 1774 OG SER A 112 -3.843 -15.556 -9.409 1.00 0.00 O ATOM 0 H SER A 112 -3.815 -16.115 -5.595 1.00 0.00 H new ATOM 0 HA SER A 112 -3.049 -13.999 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.676 -16.317 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.384 -16.689 -7.779 1.00 0.00 H new ATOM 0 HG SER A 112 -3.707 -16.348 -9.970 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.298 -14.586 -7.127 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.607 -14.011 -7.411 1.00 0.00 C ATOM 1782 C LYS A 113 -7.742 -12.627 -6.784 1.00 0.00 C ATOM 1783 O LYS A 113 -7.852 -11.623 -7.489 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.715 -14.929 -6.889 1.00 0.00 C ATOM 1785 CG LYS A 113 -9.162 -15.975 -7.895 1.00 0.00 C ATOM 1786 CD LYS A 113 -8.350 -17.253 -7.768 1.00 0.00 C ATOM 1787 CE LYS A 113 -8.972 -18.212 -6.764 1.00 0.00 C ATOM 1788 NZ LYS A 113 -8.390 -19.578 -6.868 1.00 0.00 N ATOM 0 H LYS A 113 -6.328 -15.474 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.705 -13.912 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.365 -15.431 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.574 -14.322 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.218 -16.198 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.060 -15.577 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.280 -17.739 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.333 -17.010 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.821 -17.829 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.048 -18.262 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.875 -20.214 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.511 -19.934 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.377 -19.542 -6.636 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.731 -12.581 -5.456 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.849 -11.319 -4.735 1.00 0.00 C ATOM 1804 C ILE A 114 -7.090 -10.205 -5.448 1.00 0.00 C ATOM 1805 O ILE A 114 -7.592 -9.091 -5.591 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.322 -11.443 -3.294 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -8.092 -12.528 -2.537 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.431 -10.108 -2.573 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.584 -12.286 -2.488 1.00 0.00 C ATOM 0 H ILE A 114 -7.642 -13.402 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.910 -11.071 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.271 -11.729 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.904 -13.492 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.709 -12.591 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.054 -10.212 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.842 -9.359 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.475 -9.795 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.066 -13.094 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.783 -11.337 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.981 -12.253 -3.503 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.878 -10.515 -5.896 1.00 0.00 N ATOM 1822 CA ALA A 115 -5.051 -9.542 -6.598 1.00 0.00 C ATOM 1823 C ALA A 115 -5.683 -9.140 -7.926 1.00 0.00 C ATOM 1824 O ALA A 115 -6.120 -8.003 -8.097 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.654 -10.102 -6.824 1.00 0.00 C ATOM 0 H ALA A 115 -5.447 -11.433 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.977 -8.650 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.047 -9.365 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.194 -10.332 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.719 -11.011 -7.422 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.728 -10.081 -8.863 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.307 -9.823 -10.177 1.00 0.00 C ATOM 1833 C ASN A 116 -7.565 -8.969 -10.059 1.00 0.00 C ATOM 1834 O ASN A 116 -7.811 -8.092 -10.888 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.636 -11.142 -10.879 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.417 -11.776 -11.521 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -5.035 -11.424 -12.636 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.800 -12.717 -10.816 1.00 0.00 N ATOM 0 H ASN A 116 -5.371 -11.028 -8.738 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.573 -9.276 -10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -7.066 -11.837 -10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.394 -10.965 -11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.974 -13.179 -11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.152 -12.977 -9.895 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.357 -9.230 -9.025 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.590 -8.485 -8.799 1.00 0.00 C ATOM 1847 C GLU A 117 -9.289 -7.071 -8.309 1.00 0.00 C ATOM 1848 O GLU A 117 -9.929 -6.107 -8.731 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.473 -9.212 -7.783 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.793 -10.646 -8.170 1.00 0.00 C ATOM 1851 CD GLU A 117 -10.932 -10.828 -9.669 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -9.926 -10.648 -10.385 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.049 -11.152 -10.125 1.00 0.00 O ATOM 0 H GLU A 117 -8.167 -9.952 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.122 -8.417 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.975 -9.209 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.405 -8.660 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.006 -11.303 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.719 -10.952 -7.683 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.312 -6.957 -7.417 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.926 -5.662 -6.868 1.00 0.00 C ATOM 1862 C LEU A 118 -6.943 -4.950 -7.792 1.00 0.00 C ATOM 1863 O LEU A 118 -6.219 -4.048 -7.370 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.303 -5.838 -5.482 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.284 -5.939 -4.313 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.657 -6.697 -3.154 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.727 -4.553 -3.868 1.00 0.00 C ATOM 0 H LEU A 118 -7.773 -7.745 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.824 -5.050 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.689 -6.738 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.634 -4.998 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.163 -6.490 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.370 -6.759 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.390 -7.703 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.761 -6.174 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.425 -4.644 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.857 -3.977 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.217 -4.044 -4.698 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.925 -5.359 -9.056 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.035 -4.759 -10.042 1.00 0.00 C ATOM 1881 C LYS A 119 -4.639 -4.553 -9.462 1.00 0.00 C ATOM 1882 O LYS A 119 -3.953 -3.587 -9.797 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.601 -3.422 -10.524 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.735 -3.566 -11.524 1.00 0.00 C ATOM 1885 CD LYS A 119 -9.070 -3.774 -10.827 1.00 0.00 C ATOM 1886 CE LYS A 119 -10.213 -3.864 -11.827 1.00 0.00 C ATOM 1887 NZ LYS A 119 -10.219 -5.168 -12.545 1.00 0.00 N ATOM 0 H LYS A 119 -7.517 -6.104 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.960 -5.441 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.957 -2.856 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.799 -2.840 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.785 -2.675 -12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.533 -4.409 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.033 -4.687 -10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.253 -2.951 -10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.162 -3.731 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.129 -3.052 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.012 -5.191 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.324 -5.284 -13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.325 -5.942 -11.858 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.225 -5.466 -8.591 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.910 -5.385 -7.964 1.00 0.00 C ATOM 1903 C LEU A 120 -1.837 -5.978 -8.872 1.00 0.00 C ATOM 1904 O LEU A 120 -2.123 -6.407 -9.989 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.918 -6.115 -6.620 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.829 -5.527 -5.542 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -4.035 -6.526 -4.414 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.251 -4.226 -5.006 1.00 0.00 C ATOM 0 H LEU A 120 -4.781 -6.271 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.678 -4.333 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.214 -7.150 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.899 -6.136 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.799 -5.312 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.686 -6.090 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.495 -7.432 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.072 -6.773 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.913 -3.822 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.268 -4.415 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.157 -3.507 -5.820 1.00 0.00 H new ATOM 1920 N SER A 121 -0.601 -6.001 -8.382 1.00 0.00 N ATOM 1921 CA SER A 121 0.515 -6.540 -9.150 1.00 0.00 C ATOM 1922 C SER A 121 0.252 -7.990 -9.545 1.00 0.00 C ATOM 1923 O SER A 121 0.273 -8.337 -10.725 1.00 0.00 O ATOM 1924 CB SER A 121 1.810 -6.447 -8.340 1.00 0.00 C ATOM 1925 OG SER A 121 2.946 -6.569 -9.179 1.00 0.00 O ATOM 0 H SER A 121 -0.348 -5.653 -7.457 1.00 0.00 H new ATOM 0 HA SER A 121 0.619 -5.947 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.845 -5.494 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.827 -7.232 -7.584 1.00 0.00 H new ATOM 0 HG SER A 121 3.761 -6.505 -8.638 1.00 0.00 H new ATOM 1931 N GLY A 122 0.005 -8.833 -8.548 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.258 -10.236 -8.811 1.00 0.00 C ATOM 1933 C GLY A 122 1.013 -11.040 -8.998 1.00 0.00 C ATOM 1934 O GLY A 122 1.359 -11.445 -10.107 1.00 0.00 O ATOM 0 H GLY A 122 -0.018 -8.570 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.831 -10.656 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.875 -10.325 -9.705 1.00 0.00 H new ATOM 1938 N PRO A 123 1.734 -11.280 -7.892 1.00 0.00 N ATOM 1939 CA PRO A 123 2.987 -12.041 -7.914 1.00 0.00 C ATOM 1940 C PRO A 123 2.761 -13.520 -8.207 1.00 0.00 C ATOM 1941 O PRO A 123 1.768 -14.104 -7.774 1.00 0.00 O ATOM 1942 CB PRO A 123 3.540 -11.854 -6.499 1.00 0.00 C ATOM 1943 CG PRO A 123 2.342 -11.580 -5.657 1.00 0.00 C ATOM 1944 CD PRO A 123 1.381 -10.827 -6.536 1.00 0.00 C ATOM 0 HA PRO A 123 3.660 -11.696 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.067 -12.745 -6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.250 -11.028 -6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.897 -12.508 -5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.609 -10.993 -4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.345 -11.060 -6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.499 -9.749 -6.429 1.00 0.00 H new ATOM 1952 N SER A 124 3.690 -14.121 -8.943 1.00 0.00 N ATOM 1953 CA SER A 124 3.590 -15.532 -9.297 1.00 0.00 C ATOM 1954 C SER A 124 4.814 -16.302 -8.808 1.00 0.00 C ATOM 1955 O SER A 124 5.916 -15.759 -8.741 1.00 0.00 O ATOM 1956 CB SER A 124 3.445 -15.692 -10.811 1.00 0.00 C ATOM 1957 OG SER A 124 3.643 -17.039 -11.204 1.00 0.00 O ATOM 0 H SER A 124 4.520 -13.653 -9.306 1.00 0.00 H new ATOM 0 HA SER A 124 2.705 -15.941 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.454 -15.362 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.167 -15.052 -11.318 1.00 0.00 H new ATOM 0 HG SER A 124 3.543 -17.114 -12.176 1.00 0.00 H new ATOM 1963 N SER A 125 4.610 -17.571 -8.469 1.00 0.00 N ATOM 1964 CA SER A 125 5.695 -18.416 -7.983 1.00 0.00 C ATOM 1965 C SER A 125 5.570 -19.832 -8.538 1.00 0.00 C ATOM 1966 O SER A 125 4.556 -20.501 -8.342 1.00 0.00 O ATOM 1967 CB SER A 125 5.694 -18.453 -6.454 1.00 0.00 C ATOM 1968 OG SER A 125 6.995 -18.699 -5.949 1.00 0.00 O ATOM 0 H SER A 125 3.704 -18.037 -8.522 1.00 0.00 H new ATOM 0 HA SER A 125 6.637 -17.991 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.322 -17.505 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.013 -19.230 -6.106 1.00 0.00 H new ATOM 0 HG SER A 125 6.968 -18.716 -4.970 1.00 0.00 H new ATOM 1974 N GLY A 126 6.611 -20.283 -9.232 1.00 0.00 N ATOM 1975 CA GLY A 126 6.599 -21.616 -9.805 1.00 0.00 C ATOM 1976 C GLY A 126 5.858 -21.673 -11.126 1.00 0.00 C ATOM 1977 O GLY A 126 5.622 -22.753 -11.666 1.00 0.00 O ATOM 0 H GLY A 126 7.462 -19.749 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.625 -21.954 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 126 6.134 -22.306 -9.101 1.00 0.00 H new TER 1981 GLY A 126