USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 972 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 34 TYR OH : rot 72:sc= 1.02 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.224 K(o=1.2,f=-2.2) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.379 X(o=0.68,f=0.7) USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= 0.302 USER MOD Set 3.1: A 1 MET CE :methyl -109:sc= -0.0115 (180deg=-0.048) USER MOD Set 3.2: A 3 SER OG : rot 180:sc=-0.000442 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.915 K(o=0.91,f=-3.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -165:sc= 0.957 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0376 F(o=-1.2,f=-0.038) USER MOD Single : A 25 MET CE :methyl -154:sc= -1.55 (180deg=-2.74!) USER MOD Single : A 32 CYS SG : rot -178:sc= -1.04! USER MOD Single : A 33 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.4) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.573 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.65 K(o=-1.6,f=-7.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -160:sc= 0.345 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.284 F(o=-1.8,f=-0.28) USER MOD Single : A 79 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-3.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.0669 USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= -0.28 USER MOD Single : A 103 ASN :FLIP amide:sc= -1.28 F(o=-2.6!,f=-1.3) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= -0.0181 (180deg=-0.0727) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -152:sc= -0.0443 (180deg=-1.59) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.833 0.706 0.666 1.00 0.00 N ATOM 2 CA MET A 1 2.319 -0.602 1.133 1.00 0.00 C ATOM 3 C MET A 1 2.042 -1.504 -0.078 1.00 0.00 C ATOM 4 O MET A 1 1.289 -1.127 -0.983 1.00 0.00 O ATOM 5 CB MET A 1 1.043 -0.413 2.004 1.00 0.00 C ATOM 6 CG MET A 1 0.427 -1.715 2.545 1.00 0.00 C ATOM 7 SD MET A 1 -0.868 -1.427 3.778 1.00 0.00 S ATOM 8 CE MET A 1 -2.117 -0.533 2.849 1.00 0.00 C ATOM 0 H1 MET A 1 3.021 1.318 1.486 1.00 0.00 H new ATOM 0 H2 MET A 1 3.714 0.562 0.132 1.00 0.00 H new ATOM 0 H3 MET A 1 2.126 1.158 0.052 1.00 0.00 H new ATOM 0 HA MET A 1 3.071 -1.082 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.289 0.233 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.291 0.109 1.412 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.010 -2.285 1.715 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.214 -2.326 2.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.142 0.506 3.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.877 -0.571 1.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.092 -0.990 3.017 1.00 0.00 H new ATOM 20 N ASN A 2 2.667 -2.691 -0.095 1.00 0.00 N ATOM 21 CA ASN A 2 2.525 -3.672 -1.186 1.00 0.00 C ATOM 22 C ASN A 2 1.249 -4.507 -0.956 1.00 0.00 C ATOM 23 O ASN A 2 1.303 -5.681 -0.566 1.00 0.00 O ATOM 24 CB ASN A 2 3.801 -4.559 -1.270 1.00 0.00 C ATOM 25 CG ASN A 2 5.089 -3.741 -1.379 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.674 -3.361 -0.369 1.00 0.00 O ATOM 27 ND2 ASN A 2 5.537 -3.471 -2.594 1.00 0.00 N ATOM 0 H ASN A 2 3.289 -3.001 0.651 1.00 0.00 H new ATOM 0 HA ASN A 2 2.423 -3.161 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.854 -5.195 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.722 -5.219 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.394 -2.931 -2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.025 -3.803 -3.412 1.00 0.00 H new ATOM 34 N SER A 3 0.096 -3.853 -1.182 1.00 0.00 N ATOM 35 CA SER A 3 -1.237 -4.422 -0.924 1.00 0.00 C ATOM 36 C SER A 3 -1.548 -5.587 -1.878 1.00 0.00 C ATOM 37 O SER A 3 -2.189 -6.556 -1.479 1.00 0.00 O ATOM 38 CB SER A 3 -2.298 -3.309 -1.042 1.00 0.00 C ATOM 39 OG SER A 3 -2.024 -2.247 -0.141 1.00 0.00 O ATOM 0 H SER A 3 0.064 -2.903 -1.553 1.00 0.00 H new ATOM 0 HA SER A 3 -1.255 -4.828 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.319 -2.928 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.286 -3.720 -0.835 1.00 0.00 H new ATOM 0 HG SER A 3 -2.709 -1.553 -0.236 1.00 0.00 H new ATOM 45 N GLU A 4 -1.032 -5.499 -3.119 1.00 0.00 N ATOM 46 CA GLU A 4 -1.193 -6.555 -4.155 1.00 0.00 C ATOM 47 C GLU A 4 -0.502 -7.887 -3.755 1.00 0.00 C ATOM 48 O GLU A 4 -0.685 -8.909 -4.425 1.00 0.00 O ATOM 49 CB GLU A 4 -0.625 -6.049 -5.510 1.00 0.00 C ATOM 50 CG GLU A 4 0.880 -5.697 -5.478 1.00 0.00 C ATOM 51 CD GLU A 4 1.428 -5.216 -6.833 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.807 -6.062 -7.677 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.496 -3.990 -7.057 1.00 0.00 O ATOM 0 H GLU A 4 -0.490 -4.696 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.259 -6.761 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.791 -6.814 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.186 -5.167 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.047 -4.921 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.443 -6.574 -5.158 1.00 0.00 H new ATOM 60 N ILE A 5 0.320 -7.848 -2.690 1.00 0.00 N ATOM 61 CA ILE A 5 1.010 -9.034 -2.142 1.00 0.00 C ATOM 62 C ILE A 5 0.224 -9.585 -0.934 1.00 0.00 C ATOM 63 O ILE A 5 0.201 -10.792 -0.686 1.00 0.00 O ATOM 64 CB ILE A 5 2.479 -8.680 -1.696 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.203 -7.791 -2.758 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.299 -9.957 -1.409 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.324 -8.393 -4.143 1.00 0.00 C ATOM 0 H ILE A 5 0.526 -6.988 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 5 1.060 -9.790 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 5 2.406 -8.106 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.669 -6.844 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.204 -7.562 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.308 -9.680 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.821 -10.525 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.347 -10.568 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.842 -7.694 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.888 -9.324 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.329 -8.595 -4.540 1.00 0.00 H new ATOM 79 N GLU A 6 -0.421 -8.670 -0.197 1.00 0.00 N ATOM 80 CA GLU A 6 -1.268 -9.004 0.962 1.00 0.00 C ATOM 81 C GLU A 6 -2.564 -9.729 0.544 1.00 0.00 C ATOM 82 O GLU A 6 -3.049 -10.597 1.274 1.00 0.00 O ATOM 83 CB GLU A 6 -1.615 -7.709 1.746 1.00 0.00 C ATOM 84 CG GLU A 6 -0.437 -7.086 2.526 1.00 0.00 C ATOM 85 CD GLU A 6 0.040 -7.974 3.694 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.587 -7.925 4.783 1.00 0.00 O ATOM 87 OE2 GLU A 6 1.011 -8.737 3.529 1.00 0.00 O ATOM 0 H GLU A 6 -0.371 -7.669 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.704 -9.685 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.999 -6.969 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.419 -7.931 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.395 -6.913 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.738 -6.113 2.914 1.00 0.00 H new ATOM 94 N LEU A 7 -3.104 -9.368 -0.638 1.00 0.00 N ATOM 95 CA LEU A 7 -4.418 -9.870 -1.116 1.00 0.00 C ATOM 96 C LEU A 7 -4.389 -11.396 -1.419 1.00 0.00 C ATOM 97 O LEU A 7 -5.283 -12.106 -0.936 1.00 0.00 O ATOM 98 CB LEU A 7 -4.922 -9.081 -2.362 1.00 0.00 C ATOM 99 CG LEU A 7 -5.119 -7.549 -2.170 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.555 -6.866 -3.480 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.096 -7.245 -1.012 1.00 0.00 C ATOM 0 H LEU A 7 -2.649 -8.726 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.121 -9.704 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.214 -9.236 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.872 -9.512 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.152 -7.127 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.683 -5.797 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.792 -7.022 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.499 -7.295 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.210 -6.166 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.066 -7.693 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.702 -7.661 -0.085 1.00 0.00 H new ATOM 113 N PRO A 8 -3.388 -11.945 -2.225 1.00 0.00 N ATOM 114 CA PRO A 8 -3.273 -13.405 -2.455 1.00 0.00 C ATOM 115 C PRO A 8 -3.186 -14.179 -1.131 1.00 0.00 C ATOM 116 O PRO A 8 -4.002 -15.050 -0.872 1.00 0.00 O ATOM 117 CB PRO A 8 -1.982 -13.570 -3.327 1.00 0.00 C ATOM 118 CG PRO A 8 -1.263 -12.267 -3.207 1.00 0.00 C ATOM 119 CD PRO A 8 -2.342 -11.225 -3.001 1.00 0.00 C ATOM 0 HA PRO A 8 -4.149 -13.815 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.366 -14.395 -2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.233 -13.788 -4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.565 -12.280 -2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.681 -12.056 -4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.964 -10.360 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.730 -10.858 -3.951 1.00 0.00 H new ATOM 127 N VAL A 9 -2.246 -13.751 -0.282 1.00 0.00 N ATOM 128 CA VAL A 9 -1.939 -14.377 1.021 1.00 0.00 C ATOM 129 C VAL A 9 -3.174 -14.424 1.964 1.00 0.00 C ATOM 130 O VAL A 9 -3.451 -15.458 2.593 1.00 0.00 O ATOM 131 CB VAL A 9 -0.744 -13.594 1.680 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.469 -14.039 3.135 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.531 -13.728 0.802 1.00 0.00 C ATOM 0 H VAL A 9 -1.660 -12.940 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.656 -15.416 0.853 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.032 -12.544 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.365 -13.466 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.357 -13.865 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.221 -15.100 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.352 -13.182 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.800 -14.780 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.336 -13.316 -0.188 1.00 0.00 H new ATOM 143 N GLN A 10 -3.920 -13.308 2.018 1.00 0.00 N ATOM 144 CA GLN A 10 -5.094 -13.154 2.908 1.00 0.00 C ATOM 145 C GLN A 10 -6.237 -14.108 2.505 1.00 0.00 C ATOM 146 O GLN A 10 -6.690 -14.918 3.319 1.00 0.00 O ATOM 147 CB GLN A 10 -5.588 -11.680 2.893 1.00 0.00 C ATOM 148 CG GLN A 10 -6.862 -11.388 3.721 1.00 0.00 C ATOM 149 CD GLN A 10 -6.716 -11.697 5.216 1.00 0.00 C ATOM 150 OE1 GLN A 10 -6.297 -10.844 5.997 1.00 0.00 O ATOM 151 NE2 GLN A 10 -7.069 -12.911 5.623 1.00 0.00 N ATOM 0 H GLN A 10 -3.730 -12.484 1.447 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.785 -13.416 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.784 -11.043 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.775 -11.390 1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.128 -10.338 3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.688 -11.974 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.413 -13.595 4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.996 -13.159 6.610 1.00 0.00 H new ATOM 160 N LYS A 11 -6.664 -14.013 1.237 1.00 0.00 N ATOM 161 CA LYS A 11 -7.810 -14.786 0.704 1.00 0.00 C ATOM 162 C LYS A 11 -7.498 -16.294 0.699 1.00 0.00 C ATOM 163 O LYS A 11 -8.360 -17.124 0.993 1.00 0.00 O ATOM 164 CB LYS A 11 -8.140 -14.320 -0.733 1.00 0.00 C ATOM 165 CG LYS A 11 -8.420 -12.806 -0.895 1.00 0.00 C ATOM 166 CD LYS A 11 -9.719 -12.320 -0.220 1.00 0.00 C ATOM 167 CE LYS A 11 -10.063 -10.872 -0.622 1.00 0.00 C ATOM 168 NZ LYS A 11 -11.350 -10.431 -0.044 1.00 0.00 N ATOM 0 H LYS A 11 -6.229 -13.400 0.548 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.670 -14.610 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.308 -14.590 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.011 -14.873 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.580 -12.248 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.468 -12.570 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.542 -12.980 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.611 -12.381 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.268 -10.204 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.108 -10.798 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.545 -9.453 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.113 -11.052 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.299 -10.477 0.994 1.00 0.00 H new ATOM 182 N GLN A 12 -6.233 -16.607 0.365 1.00 0.00 N ATOM 183 CA GLN A 12 -5.710 -17.985 0.265 1.00 0.00 C ATOM 184 C GLN A 12 -5.764 -18.707 1.629 1.00 0.00 C ATOM 185 O GLN A 12 -6.065 -19.902 1.690 1.00 0.00 O ATOM 186 CB GLN A 12 -4.246 -17.946 -0.227 1.00 0.00 C ATOM 187 CG GLN A 12 -3.650 -19.289 -0.681 1.00 0.00 C ATOM 188 CD GLN A 12 -2.147 -19.388 -0.431 1.00 0.00 C ATOM 189 OE1 GLN A 12 -1.345 -18.969 -1.248 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.764 -19.942 0.709 1.00 0.00 N ATOM 0 H GLN A 12 -5.531 -15.898 0.153 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.334 -18.533 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.182 -17.243 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.625 -17.548 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.155 -20.100 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.846 -19.427 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.462 -20.282 1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.771 -20.029 0.926 1.00 0.00 H new ATOM 199 N LEU A 13 -5.444 -17.957 2.706 1.00 0.00 N ATOM 200 CA LEU A 13 -5.515 -18.455 4.098 1.00 0.00 C ATOM 201 C LEU A 13 -6.946 -18.875 4.401 1.00 0.00 C ATOM 202 O LEU A 13 -7.194 -19.988 4.883 1.00 0.00 O ATOM 203 CB LEU A 13 -5.056 -17.348 5.103 1.00 0.00 C ATOM 204 CG LEU A 13 -4.815 -17.761 6.613 1.00 0.00 C ATOM 205 CD1 LEU A 13 -4.225 -16.591 7.399 1.00 0.00 C ATOM 206 CD2 LEU A 13 -6.070 -18.273 7.352 1.00 0.00 C ATOM 0 H LEU A 13 -5.129 -16.989 2.635 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.848 -19.310 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.129 -16.918 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.804 -16.556 5.090 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.118 -18.598 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.066 -16.892 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.273 -16.298 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.915 -15.747 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.808 -18.531 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.832 -17.494 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.457 -19.156 6.843 1.00 0.00 H new ATOM 218 N GLU A 14 -7.882 -17.951 4.147 1.00 0.00 N ATOM 219 CA GLU A 14 -9.294 -18.155 4.488 1.00 0.00 C ATOM 220 C GLU A 14 -9.847 -19.371 3.718 1.00 0.00 C ATOM 221 O GLU A 14 -10.672 -20.125 4.229 1.00 0.00 O ATOM 222 CB GLU A 14 -10.130 -16.887 4.176 1.00 0.00 C ATOM 223 CG GLU A 14 -9.546 -15.562 4.725 1.00 0.00 C ATOM 224 CD GLU A 14 -9.293 -15.553 6.249 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.278 -15.512 7.022 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.117 -15.555 6.679 1.00 0.00 O ATOM 0 H GLU A 14 -7.685 -17.053 3.705 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.368 -18.348 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.237 -16.798 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.131 -17.021 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.606 -15.355 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.229 -14.749 4.479 1.00 0.00 H new ATOM 233 N ALA A 15 -9.293 -19.560 2.510 1.00 0.00 N ATOM 234 CA ALA A 15 -9.636 -20.661 1.592 1.00 0.00 C ATOM 235 C ALA A 15 -8.996 -21.994 2.039 1.00 0.00 C ATOM 236 O ALA A 15 -9.519 -23.070 1.737 1.00 0.00 O ATOM 237 CB ALA A 15 -9.172 -20.300 0.175 1.00 0.00 C ATOM 0 H ALA A 15 -8.577 -18.938 2.134 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.717 -20.797 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.423 -21.111 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.669 -19.386 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.093 -20.146 0.174 1.00 0.00 H new ATOM 243 N TYR A 16 -7.852 -21.898 2.743 1.00 0.00 N ATOM 244 CA TYR A 16 -7.083 -23.058 3.242 1.00 0.00 C ATOM 245 C TYR A 16 -7.906 -23.860 4.267 1.00 0.00 C ATOM 246 O TYR A 16 -8.010 -25.094 4.180 1.00 0.00 O ATOM 247 CB TYR A 16 -5.754 -22.539 3.860 1.00 0.00 C ATOM 248 CG TYR A 16 -4.858 -23.575 4.546 1.00 0.00 C ATOM 249 CD1 TYR A 16 -4.206 -24.568 3.811 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.633 -23.541 5.932 1.00 0.00 C ATOM 251 CE1 TYR A 16 -3.375 -25.486 4.428 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.795 -24.453 6.546 1.00 0.00 C ATOM 253 CZ TYR A 16 -3.171 -25.420 5.794 1.00 0.00 C ATOM 254 OH TYR A 16 -2.319 -26.314 6.399 1.00 0.00 O ATOM 0 H TYR A 16 -7.429 -21.002 2.985 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.856 -23.736 2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.176 -22.061 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.998 -21.766 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.353 -24.620 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.124 -22.788 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.887 -26.252 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.631 -24.406 7.612 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.462 -26.297 7.368 1.00 0.00 H new ATOM 264 N ASN A 17 -8.507 -23.131 5.220 1.00 0.00 N ATOM 265 CA ASN A 17 -9.329 -23.727 6.289 1.00 0.00 C ATOM 266 C ASN A 17 -10.786 -23.951 5.815 1.00 0.00 C ATOM 267 O ASN A 17 -11.486 -24.808 6.355 1.00 0.00 O ATOM 268 CB ASN A 17 -9.275 -22.848 7.571 1.00 0.00 C ATOM 269 CG ASN A 17 -9.850 -21.441 7.391 1.00 0.00 C ATOM 270 OD1 ASN A 17 -9.012 -20.481 7.022 1.00 0.00 O flip ATOM 271 ND2 ASN A 17 -11.040 -21.218 7.593 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.438 -22.115 5.273 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.915 -24.705 6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.822 -23.353 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.239 -22.766 7.898 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.660 -21.977 7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.409 -20.274 7.478 1.00 0.00 H new ATOM 278 N ALA A 18 -11.229 -23.185 4.790 1.00 0.00 N ATOM 279 CA ALA A 18 -12.594 -23.323 4.197 1.00 0.00 C ATOM 280 C ALA A 18 -12.646 -24.396 3.086 1.00 0.00 C ATOM 281 O ALA A 18 -13.728 -24.693 2.562 1.00 0.00 O ATOM 282 CB ALA A 18 -13.078 -21.975 3.645 1.00 0.00 C ATOM 0 H ALA A 18 -10.663 -22.460 4.350 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.257 -23.648 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.073 -22.093 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.115 -21.243 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.390 -21.630 2.873 1.00 0.00 H new ATOM 288 N ARG A 19 -11.459 -24.934 2.720 1.00 0.00 N ATOM 289 CA ARG A 19 -11.280 -26.013 1.716 1.00 0.00 C ATOM 290 C ARG A 19 -11.528 -25.535 0.259 1.00 0.00 C ATOM 291 O ARG A 19 -11.610 -26.369 -0.658 1.00 0.00 O ATOM 292 CB ARG A 19 -12.140 -27.281 2.028 1.00 0.00 C ATOM 293 CG ARG A 19 -11.908 -27.931 3.409 1.00 0.00 C ATOM 294 CD ARG A 19 -10.469 -28.424 3.635 1.00 0.00 C ATOM 295 NE ARG A 19 -10.358 -29.207 4.875 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.115 -28.707 6.098 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.823 -27.418 6.278 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.147 -29.516 7.144 1.00 0.00 N ATOM 0 H ARG A 19 -10.576 -24.623 3.124 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.230 -26.296 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.193 -27.011 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.943 -28.028 1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.160 -27.209 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.591 -28.773 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.155 -29.034 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.793 -27.570 3.681 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.476 -30.217 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.780 -26.788 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.642 -27.062 7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.354 -30.507 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.964 -29.149 8.078 1.00 0.00 H new ATOM 312 N ASP A 20 -11.609 -24.205 0.036 1.00 0.00 N ATOM 313 CA ASP A 20 -11.790 -23.635 -1.315 1.00 0.00 C ATOM 314 C ASP A 20 -10.462 -23.691 -2.091 1.00 0.00 C ATOM 315 O ASP A 20 -9.615 -22.807 -1.950 1.00 0.00 O ATOM 316 CB ASP A 20 -12.324 -22.173 -1.253 1.00 0.00 C ATOM 317 CG ASP A 20 -13.770 -22.075 -0.740 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.716 -22.180 -1.557 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.971 -21.908 0.477 1.00 0.00 O ATOM 0 H ASP A 20 -11.552 -23.506 0.776 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.536 -24.234 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.675 -21.584 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.268 -21.731 -2.248 1.00 0.00 H new ATOM 324 N ILE A 21 -10.286 -24.763 -2.884 1.00 0.00 N ATOM 325 CA ILE A 21 -9.148 -24.920 -3.807 1.00 0.00 C ATOM 326 C ILE A 21 -9.217 -23.883 -4.946 1.00 0.00 C ATOM 327 O ILE A 21 -8.180 -23.463 -5.456 1.00 0.00 O ATOM 328 CB ILE A 21 -9.062 -26.411 -4.355 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.481 -27.356 -3.251 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.244 -26.538 -5.672 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.009 -27.119 -2.934 1.00 0.00 C ATOM 0 H ILE A 21 -10.934 -25.550 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.227 -24.729 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.080 -26.715 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.062 -27.229 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.610 -28.390 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.226 -27.580 -5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.708 -25.930 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.224 -26.193 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.687 -27.815 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.413 -27.276 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.873 -26.096 -2.582 1.00 0.00 H new ATOM 343 N ASP A 22 -10.444 -23.447 -5.305 1.00 0.00 N ATOM 344 CA ASP A 22 -10.657 -22.417 -6.345 1.00 0.00 C ATOM 345 C ASP A 22 -9.936 -21.105 -5.982 1.00 0.00 C ATOM 346 O ASP A 22 -9.237 -20.530 -6.814 1.00 0.00 O ATOM 347 CB ASP A 22 -12.174 -22.161 -6.552 1.00 0.00 C ATOM 348 CG ASP A 22 -12.471 -21.104 -7.641 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.501 -21.464 -8.844 1.00 0.00 O ATOM 350 OD2 ASP A 22 -12.673 -19.916 -7.305 1.00 0.00 O ATOM 0 H ASP A 22 -11.307 -23.795 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.234 -22.788 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.660 -23.098 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.613 -21.835 -5.609 1.00 0.00 H new ATOM 355 N ALA A 23 -10.100 -20.672 -4.722 1.00 0.00 N ATOM 356 CA ALA A 23 -9.448 -19.455 -4.188 1.00 0.00 C ATOM 357 C ALA A 23 -7.984 -19.736 -3.809 1.00 0.00 C ATOM 358 O ALA A 23 -7.119 -18.858 -3.921 1.00 0.00 O ATOM 359 CB ALA A 23 -10.243 -18.924 -2.984 1.00 0.00 C ATOM 0 H ALA A 23 -10.688 -21.153 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.441 -18.690 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.759 -18.028 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.258 -18.681 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.276 -19.686 -2.205 1.00 0.00 H new ATOM 365 N PHE A 24 -7.714 -20.988 -3.393 1.00 0.00 N ATOM 366 CA PHE A 24 -6.354 -21.463 -3.067 1.00 0.00 C ATOM 367 C PHE A 24 -5.518 -21.652 -4.363 1.00 0.00 C ATOM 368 O PHE A 24 -4.333 -21.969 -4.300 1.00 0.00 O ATOM 369 CB PHE A 24 -6.428 -22.783 -2.232 1.00 0.00 C ATOM 370 CG PHE A 24 -5.195 -23.062 -1.366 1.00 0.00 C ATOM 371 CD1 PHE A 24 -5.104 -22.539 -0.077 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.119 -23.813 -1.841 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.988 -22.763 0.705 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.004 -24.026 -1.055 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.937 -23.501 0.216 1.00 0.00 C ATOM 0 H PHE A 24 -8.434 -21.701 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.852 -20.711 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.306 -22.741 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.573 -23.621 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.919 -21.949 0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.159 -24.233 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.941 -22.357 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.179 -24.608 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.062 -23.669 0.826 1.00 0.00 H new ATOM 385 N MET A 25 -6.168 -21.524 -5.542 1.00 0.00 N ATOM 386 CA MET A 25 -5.487 -21.571 -6.860 1.00 0.00 C ATOM 387 C MET A 25 -5.608 -20.231 -7.624 1.00 0.00 C ATOM 388 O MET A 25 -4.746 -19.911 -8.453 1.00 0.00 O ATOM 389 CB MET A 25 -6.067 -22.731 -7.720 1.00 0.00 C ATOM 390 CG MET A 25 -5.341 -23.015 -9.059 1.00 0.00 C ATOM 391 SD MET A 25 -3.951 -24.176 -8.927 1.00 0.00 S ATOM 392 CE MET A 25 -2.775 -23.383 -7.819 1.00 0.00 C ATOM 0 H MET A 25 -7.176 -21.386 -5.609 1.00 0.00 H new ATOM 0 HA MET A 25 -4.427 -21.748 -6.675 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.053 -23.642 -7.122 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.112 -22.508 -7.937 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.063 -23.411 -9.773 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.974 -22.073 -9.466 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.770 -23.748 -8.033 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.808 -22.303 -7.966 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.033 -23.617 -6.786 1.00 0.00 H new ATOM 402 N ALA A 26 -6.664 -19.453 -7.317 1.00 0.00 N ATOM 403 CA ALA A 26 -7.038 -18.230 -8.073 1.00 0.00 C ATOM 404 C ALA A 26 -5.912 -17.187 -8.128 1.00 0.00 C ATOM 405 O ALA A 26 -5.674 -16.558 -9.165 1.00 0.00 O ATOM 406 CB ALA A 26 -8.292 -17.599 -7.450 1.00 0.00 C ATOM 0 H ALA A 26 -7.288 -19.652 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.235 -18.541 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.563 -16.702 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.115 -18.312 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.089 -17.334 -6.412 1.00 0.00 H new ATOM 412 N TRP A 27 -5.224 -17.026 -6.999 1.00 0.00 N ATOM 413 CA TRP A 27 -4.210 -15.985 -6.815 1.00 0.00 C ATOM 414 C TRP A 27 -2.813 -16.452 -7.229 1.00 0.00 C ATOM 415 O TRP A 27 -1.860 -15.696 -7.102 1.00 0.00 O ATOM 416 CB TRP A 27 -4.205 -15.555 -5.341 1.00 0.00 C ATOM 417 CG TRP A 27 -5.514 -14.959 -4.888 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.566 -15.620 -4.325 1.00 0.00 C ATOM 419 CD2 TRP A 27 -5.898 -13.577 -4.962 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.573 -14.745 -4.051 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.193 -13.482 -4.436 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.264 -12.414 -5.424 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -7.874 -12.267 -4.355 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.937 -11.211 -5.342 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.233 -11.145 -4.811 1.00 0.00 C ATOM 0 H TRP A 27 -5.354 -17.618 -6.179 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.466 -15.144 -7.459 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.973 -16.419 -4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.409 -14.827 -5.185 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.596 -16.681 -4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.468 -14.989 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.267 -12.459 -5.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.872 -12.213 -3.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.458 -10.308 -5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.736 -10.191 -4.760 1.00 0.00 H new ATOM 436 N TRP A 28 -2.705 -17.690 -7.721 1.00 0.00 N ATOM 437 CA TRP A 28 -1.424 -18.304 -8.106 1.00 0.00 C ATOM 438 C TRP A 28 -1.248 -18.190 -9.628 1.00 0.00 C ATOM 439 O TRP A 28 -2.208 -18.386 -10.380 1.00 0.00 O ATOM 440 CB TRP A 28 -1.396 -19.791 -7.667 1.00 0.00 C ATOM 441 CG TRP A 28 -1.560 -20.025 -6.172 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.585 -19.597 -5.360 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.694 -20.791 -5.324 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.387 -20.037 -4.079 1.00 0.00 N ATOM 445 CE2 TRP A 28 -1.241 -20.779 -4.033 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.495 -21.481 -5.538 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.640 -21.434 -2.963 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.086 -22.132 -4.475 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.518 -22.108 -3.202 1.00 0.00 C ATOM 0 H TRP A 28 -3.508 -18.301 -7.866 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.604 -17.784 -7.610 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.189 -20.324 -8.192 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.451 -20.231 -7.987 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.424 -19.000 -5.686 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.998 -19.842 -3.286 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.947 -21.507 -6.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.078 -21.409 -1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.008 -22.672 -4.632 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.005 -22.632 -2.393 1.00 0.00 H new ATOM 460 N ALA A 29 -0.021 -17.867 -10.064 1.00 0.00 N ATOM 461 CA ALA A 29 0.321 -17.711 -11.495 1.00 0.00 C ATOM 462 C ALA A 29 0.343 -19.078 -12.216 1.00 0.00 C ATOM 463 O ALA A 29 0.470 -20.118 -11.572 1.00 0.00 O ATOM 464 CB ALA A 29 1.677 -16.992 -11.633 1.00 0.00 C ATOM 0 H ALA A 29 0.767 -17.705 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.448 -17.104 -11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.924 -16.880 -12.689 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.616 -16.008 -11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.452 -17.579 -11.140 1.00 0.00 H new ATOM 470 N ASP A 30 0.240 -19.051 -13.557 1.00 0.00 N ATOM 471 CA ASP A 30 0.200 -20.276 -14.400 1.00 0.00 C ATOM 472 C ASP A 30 1.487 -21.107 -14.251 1.00 0.00 C ATOM 473 O ASP A 30 1.447 -22.338 -14.183 1.00 0.00 O ATOM 474 CB ASP A 30 -0.002 -19.878 -15.886 1.00 0.00 C ATOM 475 CG ASP A 30 -0.027 -21.081 -16.854 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.073 -21.760 -16.941 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.995 -21.357 -17.524 1.00 0.00 O ATOM 0 H ASP A 30 0.182 -18.185 -14.093 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.635 -20.891 -14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.938 -19.327 -15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.798 -19.201 -16.183 1.00 0.00 H new ATOM 482 N ASP A 31 2.616 -20.396 -14.180 1.00 0.00 N ATOM 483 CA ASP A 31 3.964 -20.980 -14.099 1.00 0.00 C ATOM 484 C ASP A 31 4.470 -20.992 -12.644 1.00 0.00 C ATOM 485 O ASP A 31 5.685 -21.084 -12.412 1.00 0.00 O ATOM 486 CB ASP A 31 4.926 -20.171 -15.010 1.00 0.00 C ATOM 487 CG ASP A 31 4.494 -20.161 -16.488 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.765 -21.153 -17.206 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.880 -19.166 -16.938 1.00 0.00 O ATOM 0 H ASP A 31 2.622 -19.376 -14.177 1.00 0.00 H new ATOM 0 HA ASP A 31 3.928 -22.014 -14.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.983 -19.145 -14.647 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.929 -20.592 -14.934 1.00 0.00 H new ATOM 494 N CYS A 32 3.532 -20.892 -11.670 1.00 0.00 N ATOM 495 CA CYS A 32 3.862 -20.818 -10.236 1.00 0.00 C ATOM 496 C CYS A 32 4.673 -22.038 -9.776 1.00 0.00 C ATOM 497 O CYS A 32 4.187 -23.167 -9.808 1.00 0.00 O ATOM 498 CB CYS A 32 2.598 -20.689 -9.365 1.00 0.00 C ATOM 499 SG CYS A 32 2.943 -20.533 -7.594 1.00 0.00 S ATOM 0 H CYS A 32 2.531 -20.861 -11.862 1.00 0.00 H new ATOM 0 HA CYS A 32 4.470 -19.922 -10.109 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.030 -19.819 -9.693 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.966 -21.562 -9.527 1.00 0.00 H new ATOM 0 HG CYS A 32 1.823 -20.475 -6.937 1.00 0.00 H new ATOM 505 N GLN A 33 5.919 -21.786 -9.368 1.00 0.00 N ATOM 506 CA GLN A 33 6.805 -22.818 -8.809 1.00 0.00 C ATOM 507 C GLN A 33 6.360 -23.122 -7.370 1.00 0.00 C ATOM 508 O GLN A 33 5.759 -22.268 -6.709 1.00 0.00 O ATOM 509 CB GLN A 33 8.271 -22.318 -8.843 1.00 0.00 C ATOM 510 CG GLN A 33 8.730 -21.807 -10.222 1.00 0.00 C ATOM 511 CD GLN A 33 8.884 -22.889 -11.295 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.941 -23.500 -11.420 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.841 -23.114 -12.083 1.00 0.00 N ATOM 0 H GLN A 33 6.345 -20.861 -9.415 1.00 0.00 H new ATOM 0 HA GLN A 33 6.745 -23.732 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.387 -21.516 -8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.928 -23.130 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.013 -21.066 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.685 -21.295 -10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.978 -22.587 -11.950 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.902 -23.814 -12.822 1.00 0.00 H new ATOM 522 N TYR A 34 6.635 -24.338 -6.898 1.00 0.00 N ATOM 523 CA TYR A 34 6.265 -24.771 -5.548 1.00 0.00 C ATOM 524 C TYR A 34 7.382 -25.639 -4.986 1.00 0.00 C ATOM 525 O TYR A 34 7.702 -26.674 -5.559 1.00 0.00 O ATOM 526 CB TYR A 34 4.923 -25.541 -5.561 1.00 0.00 C ATOM 527 CG TYR A 34 4.342 -25.843 -4.169 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.752 -24.828 -3.407 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.378 -27.131 -3.621 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.223 -25.088 -2.159 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.844 -27.394 -2.374 1.00 0.00 C ATOM 532 CZ TYR A 34 3.270 -26.371 -1.647 1.00 0.00 C ATOM 533 OH TYR A 34 2.715 -26.632 -0.410 1.00 0.00 O ATOM 0 H TYR A 34 7.121 -25.052 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 34 6.130 -23.896 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.193 -24.962 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.065 -26.482 -6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.710 -23.824 -3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.832 -27.934 -4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.774 -24.292 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.876 -28.395 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 34 1.738 -26.602 -0.477 1.00 0.00 H new ATOM 543 N TYR A 35 7.977 -25.182 -3.878 1.00 0.00 N ATOM 544 CA TYR A 35 9.056 -25.878 -3.167 1.00 0.00 C ATOM 545 C TYR A 35 8.578 -26.277 -1.768 1.00 0.00 C ATOM 546 O TYR A 35 7.693 -25.636 -1.184 1.00 0.00 O ATOM 547 CB TYR A 35 10.328 -24.988 -3.067 1.00 0.00 C ATOM 548 CG TYR A 35 11.017 -24.676 -4.411 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.400 -23.871 -5.370 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.291 -25.165 -4.706 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.016 -23.568 -6.562 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.916 -24.858 -5.899 1.00 0.00 C ATOM 553 CZ TYR A 35 12.277 -24.057 -6.824 1.00 0.00 C ATOM 554 OH TYR A 35 12.902 -23.740 -8.013 1.00 0.00 O ATOM 0 H TYR A 35 7.716 -24.298 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 35 9.318 -26.774 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.057 -24.047 -2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.047 -25.482 -2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.415 -23.476 -5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.797 -25.794 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.513 -22.949 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.903 -25.244 -6.108 1.00 0.00 H new ATOM 0 HH TYR A 35 13.785 -24.163 -8.041 1.00 0.00 H new ATOM 564 N ALA A 36 9.187 -27.345 -1.249 1.00 0.00 N ATOM 565 CA ALA A 36 8.912 -27.881 0.088 1.00 0.00 C ATOM 566 C ALA A 36 10.192 -27.911 0.918 1.00 0.00 C ATOM 567 O ALA A 36 11.296 -27.848 0.364 1.00 0.00 O ATOM 568 CB ALA A 36 8.303 -29.291 -0.011 1.00 0.00 C ATOM 0 H ALA A 36 9.899 -27.872 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 36 8.191 -27.229 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.105 -29.673 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.370 -29.246 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.002 -29.954 -0.521 1.00 0.00 H new ATOM 574 N PHE A 37 10.015 -28.001 2.248 1.00 0.00 N ATOM 575 CA PHE A 37 11.117 -28.104 3.220 1.00 0.00 C ATOM 576 C PHE A 37 12.007 -29.351 2.918 1.00 0.00 C ATOM 577 O PHE A 37 11.462 -30.451 2.769 1.00 0.00 O ATOM 578 CB PHE A 37 10.523 -28.176 4.655 1.00 0.00 C ATOM 579 CG PHE A 37 11.561 -28.269 5.773 1.00 0.00 C ATOM 580 CD1 PHE A 37 12.291 -27.145 6.160 1.00 0.00 C ATOM 581 CD2 PHE A 37 11.800 -29.470 6.443 1.00 0.00 C ATOM 582 CE1 PHE A 37 13.236 -27.223 7.164 1.00 0.00 C ATOM 583 CE2 PHE A 37 12.745 -29.545 7.448 1.00 0.00 C ATOM 584 CZ PHE A 37 13.457 -28.416 7.813 1.00 0.00 C ATOM 0 H PHE A 37 9.092 -28.004 2.683 1.00 0.00 H new ATOM 0 HA PHE A 37 11.754 -27.223 3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.907 -27.293 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.864 -29.042 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.115 -26.200 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.239 -30.352 6.172 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.803 -26.346 7.440 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.928 -30.484 7.949 1.00 0.00 H new ATOM 0 HZ PHE A 37 14.186 -28.471 8.608 1.00 0.00 H new ATOM 594 N PRO A 38 13.381 -29.217 2.815 1.00 0.00 N ATOM 595 CA PRO A 38 14.133 -27.933 2.953 1.00 0.00 C ATOM 596 C PRO A 38 14.031 -26.998 1.704 1.00 0.00 C ATOM 597 O PRO A 38 13.678 -25.815 1.835 1.00 0.00 O ATOM 598 CB PRO A 38 15.589 -28.419 3.202 1.00 0.00 C ATOM 599 CG PRO A 38 15.679 -29.731 2.474 1.00 0.00 C ATOM 600 CD PRO A 38 14.308 -30.370 2.604 1.00 0.00 C ATOM 0 HA PRO A 38 13.732 -27.307 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.317 -27.703 2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.790 -28.541 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.943 -29.580 1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.450 -30.367 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.045 -30.933 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.272 -31.067 3.441 1.00 0.00 H new ATOM 608 N ALA A 39 14.315 -27.552 0.509 1.00 0.00 N ATOM 609 CA ALA A 39 14.277 -26.820 -0.771 1.00 0.00 C ATOM 610 C ALA A 39 14.208 -27.845 -1.916 1.00 0.00 C ATOM 611 O ALA A 39 15.242 -28.297 -2.422 1.00 0.00 O ATOM 612 CB ALA A 39 15.498 -25.882 -0.918 1.00 0.00 C ATOM 0 H ALA A 39 14.580 -28.531 0.405 1.00 0.00 H new ATOM 0 HA ALA A 39 13.394 -26.182 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.441 -25.357 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.500 -25.157 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.415 -26.470 -0.882 1.00 0.00 H new ATOM 618 N THR A 40 12.977 -28.270 -2.255 1.00 0.00 N ATOM 619 CA THR A 40 12.724 -29.261 -3.322 1.00 0.00 C ATOM 620 C THR A 40 11.452 -28.881 -4.102 1.00 0.00 C ATOM 621 O THR A 40 10.359 -28.828 -3.525 1.00 0.00 O ATOM 622 CB THR A 40 12.594 -30.706 -2.727 1.00 0.00 C ATOM 623 OG1 THR A 40 13.810 -31.050 -2.035 1.00 0.00 O ATOM 624 CG2 THR A 40 12.299 -31.778 -3.801 1.00 0.00 C ATOM 0 H THR A 40 12.128 -27.937 -1.798 1.00 0.00 H new ATOM 0 HA THR A 40 13.573 -29.256 -4.006 1.00 0.00 H new ATOM 0 HB THR A 40 11.746 -30.694 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.730 -31.952 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.220 -32.756 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.361 -31.542 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.108 -31.793 -4.532 1.00 0.00 H new ATOM 632 N LEU A 41 11.621 -28.607 -5.405 1.00 0.00 N ATOM 633 CA LEU A 41 10.537 -28.208 -6.314 1.00 0.00 C ATOM 634 C LEU A 41 9.581 -29.399 -6.547 1.00 0.00 C ATOM 635 O LEU A 41 9.934 -30.360 -7.231 1.00 0.00 O ATOM 636 CB LEU A 41 11.158 -27.670 -7.651 1.00 0.00 C ATOM 637 CG LEU A 41 10.241 -26.802 -8.596 1.00 0.00 C ATOM 638 CD1 LEU A 41 11.082 -26.067 -9.663 1.00 0.00 C ATOM 639 CD2 LEU A 41 9.143 -27.633 -9.284 1.00 0.00 C ATOM 0 H LEU A 41 12.531 -28.658 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 41 9.947 -27.405 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.034 -27.074 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.511 -28.527 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 41 9.750 -26.070 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.425 -25.476 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.798 -25.409 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.617 -26.797 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.542 -26.985 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.603 -28.413 -9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.505 -28.090 -8.528 1.00 0.00 H new ATOM 651 N LEU A 42 8.381 -29.326 -5.941 1.00 0.00 N ATOM 652 CA LEU A 42 7.323 -30.328 -6.120 1.00 0.00 C ATOM 653 C LEU A 42 6.520 -30.072 -7.412 1.00 0.00 C ATOM 654 O LEU A 42 6.208 -31.014 -8.148 1.00 0.00 O ATOM 655 CB LEU A 42 6.360 -30.337 -4.903 1.00 0.00 C ATOM 656 CG LEU A 42 7.006 -30.527 -3.493 1.00 0.00 C ATOM 657 CD1 LEU A 42 5.922 -30.732 -2.412 1.00 0.00 C ATOM 658 CD2 LEU A 42 8.045 -31.675 -3.482 1.00 0.00 C ATOM 0 H LEU A 42 8.121 -28.566 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 42 7.808 -31.301 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.808 -29.397 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.631 -31.134 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 42 7.547 -29.611 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.398 -30.862 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.268 -29.860 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.334 -31.619 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.469 -31.772 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.558 -32.609 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.840 -31.453 -4.194 1.00 0.00 H new ATOM 670 N ALA A 43 6.195 -28.793 -7.677 1.00 0.00 N ATOM 671 CA ALA A 43 5.256 -28.410 -8.753 1.00 0.00 C ATOM 672 C ALA A 43 5.725 -27.127 -9.469 1.00 0.00 C ATOM 673 O ALA A 43 5.808 -26.075 -8.843 1.00 0.00 O ATOM 674 CB ALA A 43 3.864 -28.220 -8.141 1.00 0.00 C ATOM 0 H ALA A 43 6.571 -28.000 -7.157 1.00 0.00 H new ATOM 0 HA ALA A 43 5.221 -29.199 -9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.159 -27.937 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.539 -29.152 -7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.903 -27.435 -7.385 1.00 0.00 H new ATOM 680 N GLY A 44 6.029 -27.231 -10.781 1.00 0.00 N ATOM 681 CA GLY A 44 6.587 -26.109 -11.564 1.00 0.00 C ATOM 682 C GLY A 44 5.540 -25.395 -12.412 1.00 0.00 C ATOM 683 O GLY A 44 5.813 -25.009 -13.554 1.00 0.00 O ATOM 0 H GLY A 44 5.896 -28.086 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.046 -25.392 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.378 -26.484 -12.213 1.00 0.00 H new ATOM 687 N ASN A 45 4.373 -25.177 -11.797 1.00 0.00 N ATOM 688 CA ASN A 45 3.135 -24.663 -12.443 1.00 0.00 C ATOM 689 C ASN A 45 1.955 -24.848 -11.477 1.00 0.00 C ATOM 690 O ASN A 45 1.988 -25.733 -10.613 1.00 0.00 O ATOM 691 CB ASN A 45 2.795 -25.337 -13.813 1.00 0.00 C ATOM 692 CG ASN A 45 2.520 -26.838 -13.712 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.396 -27.263 -13.471 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.543 -27.641 -13.916 1.00 0.00 N ATOM 0 H ASN A 45 4.248 -25.356 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 45 3.315 -23.611 -12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.922 -24.845 -14.242 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.623 -25.175 -14.503 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.414 -28.652 -13.876 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.465 -27.252 -14.114 1.00 0.00 H new ATOM 701 N ALA A 46 0.903 -24.032 -11.668 1.00 0.00 N ATOM 702 CA ALA A 46 -0.288 -24.008 -10.793 1.00 0.00 C ATOM 703 C ALA A 46 -1.072 -25.343 -10.811 1.00 0.00 C ATOM 704 O ALA A 46 -1.633 -25.743 -9.790 1.00 0.00 O ATOM 705 CB ALA A 46 -1.200 -22.837 -11.191 1.00 0.00 C ATOM 0 H ALA A 46 0.853 -23.365 -12.438 1.00 0.00 H new ATOM 0 HA ALA A 46 0.061 -23.870 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.077 -22.823 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.655 -21.899 -11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.516 -22.958 -12.227 1.00 0.00 H new ATOM 711 N ALA A 47 -1.074 -26.033 -11.969 1.00 0.00 N ATOM 712 CA ALA A 47 -1.888 -27.258 -12.184 1.00 0.00 C ATOM 713 C ALA A 47 -1.531 -28.378 -11.186 1.00 0.00 C ATOM 714 O ALA A 47 -2.420 -29.004 -10.595 1.00 0.00 O ATOM 715 CB ALA A 47 -1.726 -27.769 -13.624 1.00 0.00 C ATOM 0 H ALA A 47 -0.517 -25.764 -12.780 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.928 -26.982 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.329 -28.666 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.055 -27.000 -14.322 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.678 -28.004 -13.811 1.00 0.00 H new ATOM 721 N GLU A 48 -0.221 -28.606 -11.001 1.00 0.00 N ATOM 722 CA GLU A 48 0.289 -29.674 -10.114 1.00 0.00 C ATOM 723 C GLU A 48 0.110 -29.281 -8.631 1.00 0.00 C ATOM 724 O GLU A 48 -0.152 -30.138 -7.776 1.00 0.00 O ATOM 725 CB GLU A 48 1.778 -29.961 -10.416 1.00 0.00 C ATOM 726 CG GLU A 48 2.115 -30.190 -11.895 1.00 0.00 C ATOM 727 CD GLU A 48 3.590 -30.580 -12.099 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.465 -29.688 -12.036 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.883 -31.779 -12.295 1.00 0.00 O ATOM 0 H GLU A 48 0.512 -28.062 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.286 -30.580 -10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.374 -29.125 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.083 -30.841 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.474 -30.976 -12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.899 -29.284 -12.460 1.00 0.00 H new ATOM 736 N ILE A 49 0.260 -27.968 -8.355 1.00 0.00 N ATOM 737 CA ILE A 49 0.062 -27.374 -7.010 1.00 0.00 C ATOM 738 C ILE A 49 -1.363 -27.647 -6.508 1.00 0.00 C ATOM 739 O ILE A 49 -1.570 -28.025 -5.342 1.00 0.00 O ATOM 740 CB ILE A 49 0.300 -25.815 -7.049 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.766 -25.490 -7.442 1.00 0.00 C ATOM 742 CG2 ILE A 49 -0.072 -25.138 -5.713 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.096 -24.018 -7.588 1.00 0.00 C ATOM 0 H ILE A 49 0.524 -27.283 -9.063 1.00 0.00 H new ATOM 0 HA ILE A 49 0.783 -27.833 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.362 -25.407 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.428 -25.919 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.989 -25.989 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.108 -24.065 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.125 -25.315 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.538 -25.555 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.144 -23.906 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.468 -23.579 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.914 -23.509 -6.642 1.00 0.00 H new ATOM 755 N ARG A 50 -2.321 -27.428 -7.419 1.00 0.00 N ATOM 756 CA ARG A 50 -3.752 -27.636 -7.180 1.00 0.00 C ATOM 757 C ARG A 50 -4.009 -29.061 -6.679 1.00 0.00 C ATOM 758 O ARG A 50 -4.497 -29.249 -5.563 1.00 0.00 O ATOM 759 CB ARG A 50 -4.506 -27.389 -8.511 1.00 0.00 C ATOM 760 CG ARG A 50 -6.028 -27.614 -8.469 1.00 0.00 C ATOM 761 CD ARG A 50 -6.675 -27.369 -9.837 1.00 0.00 C ATOM 762 NE ARG A 50 -8.138 -27.565 -9.811 1.00 0.00 N ATOM 763 CZ ARG A 50 -9.050 -26.690 -10.264 1.00 0.00 C ATOM 764 NH1 ARG A 50 -8.682 -25.500 -10.731 1.00 0.00 N ATOM 765 NH2 ARG A 50 -10.336 -27.017 -10.238 1.00 0.00 N ATOM 0 H ARG A 50 -2.117 -27.095 -8.361 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.106 -26.944 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.318 -26.363 -8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.082 -28.042 -9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.236 -28.634 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.474 -26.948 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.453 -26.353 -10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.234 -28.044 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.485 -28.439 -9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.695 -25.242 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.386 -24.846 -11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.624 -27.926 -9.876 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.037 -26.359 -10.580 1.00 0.00 H new ATOM 779 N VAL A 51 -3.561 -30.035 -7.494 1.00 0.00 N ATOM 780 CA VAL A 51 -3.724 -31.483 -7.237 1.00 0.00 C ATOM 781 C VAL A 51 -3.162 -31.881 -5.855 1.00 0.00 C ATOM 782 O VAL A 51 -3.858 -32.511 -5.048 1.00 0.00 O ATOM 783 CB VAL A 51 -3.026 -32.323 -8.376 1.00 0.00 C ATOM 784 CG1 VAL A 51 -3.035 -33.844 -8.067 1.00 0.00 C ATOM 785 CG2 VAL A 51 -3.675 -32.032 -9.761 1.00 0.00 C ATOM 0 H VAL A 51 -3.067 -29.837 -8.364 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.792 -31.703 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.983 -32.009 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.544 -34.383 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.503 -34.029 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.064 -34.190 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.176 -32.623 -10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.732 -32.296 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.572 -30.972 -9.996 1.00 0.00 H new ATOM 795 N ARG A 52 -1.921 -31.440 -5.590 1.00 0.00 N ATOM 796 CA ARG A 52 -1.165 -31.811 -4.378 1.00 0.00 C ATOM 797 C ARG A 52 -1.880 -31.325 -3.099 1.00 0.00 C ATOM 798 O ARG A 52 -1.876 -32.010 -2.072 1.00 0.00 O ATOM 799 CB ARG A 52 0.277 -31.231 -4.444 1.00 0.00 C ATOM 800 CG ARG A 52 1.254 -31.824 -3.397 1.00 0.00 C ATOM 801 CD ARG A 52 1.490 -33.330 -3.622 1.00 0.00 C ATOM 802 NE ARG A 52 2.478 -33.904 -2.691 1.00 0.00 N ATOM 803 CZ ARG A 52 2.594 -35.214 -2.399 1.00 0.00 C ATOM 804 NH1 ARG A 52 1.707 -36.099 -2.844 1.00 0.00 N ATOM 805 NH2 ARG A 52 3.592 -35.628 -1.633 1.00 0.00 N ATOM 0 H ARG A 52 -1.410 -30.813 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.109 -32.899 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.681 -31.407 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.228 -30.151 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.206 -31.295 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.854 -31.664 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.544 -33.861 -3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.828 -33.490 -4.646 1.00 0.00 H new ATOM 0 HE ARG A 52 3.123 -33.260 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.922 -35.790 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.812 -37.087 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.267 -34.956 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.685 -36.619 -1.408 1.00 0.00 H new ATOM 819 N HIS A 53 -2.496 -30.133 -3.179 1.00 0.00 N ATOM 820 CA HIS A 53 -3.195 -29.521 -2.031 1.00 0.00 C ATOM 821 C HIS A 53 -4.566 -30.159 -1.793 1.00 0.00 C ATOM 822 O HIS A 53 -4.967 -30.289 -0.642 1.00 0.00 O ATOM 823 CB HIS A 53 -3.306 -27.988 -2.198 1.00 0.00 C ATOM 824 CG HIS A 53 -2.006 -27.277 -1.944 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.358 -26.514 -2.888 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.235 -27.222 -0.828 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.251 -26.020 -2.367 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.155 -26.433 -1.121 1.00 0.00 N ATOM 0 H HIS A 53 -2.525 -29.571 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.594 -29.716 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.647 -27.761 -3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.063 -27.607 -1.513 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.683 -26.355 -3.842 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.436 -27.709 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.457 -25.384 -2.877 1.00 0.00 H new ATOM 837 N ILE A 54 -5.269 -30.572 -2.870 1.00 0.00 N ATOM 838 CA ILE A 54 -6.578 -31.265 -2.748 1.00 0.00 C ATOM 839 C ILE A 54 -6.425 -32.526 -1.865 1.00 0.00 C ATOM 840 O ILE A 54 -7.271 -32.813 -1.012 1.00 0.00 O ATOM 841 CB ILE A 54 -7.164 -31.667 -4.156 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.343 -30.423 -5.082 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.508 -32.415 -4.005 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.695 -30.740 -6.531 1.00 0.00 C ATOM 0 H ILE A 54 -4.957 -30.440 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.278 -30.570 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.442 -32.336 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.125 -29.789 -4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.420 -29.843 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.890 -32.680 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.356 -33.321 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.228 -31.772 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.798 -29.811 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.904 -31.345 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.635 -31.290 -6.565 1.00 0.00 H new ATOM 856 N GLU A 55 -5.295 -33.228 -2.075 1.00 0.00 N ATOM 857 CA GLU A 55 -4.900 -34.419 -1.295 1.00 0.00 C ATOM 858 C GLU A 55 -4.810 -34.103 0.215 1.00 0.00 C ATOM 859 O GLU A 55 -5.278 -34.879 1.045 1.00 0.00 O ATOM 860 CB GLU A 55 -3.531 -34.930 -1.809 1.00 0.00 C ATOM 861 CG GLU A 55 -3.501 -35.279 -3.315 1.00 0.00 C ATOM 862 CD GLU A 55 -2.098 -35.550 -3.896 1.00 0.00 C ATOM 863 OE1 GLU A 55 -1.096 -35.533 -3.148 1.00 0.00 O ATOM 864 OE2 GLU A 55 -1.999 -35.788 -5.119 1.00 0.00 O ATOM 0 H GLU A 55 -4.621 -32.982 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.662 -35.187 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.776 -34.170 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.250 -35.815 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.122 -36.159 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.955 -34.459 -3.871 1.00 0.00 H new ATOM 871 N ARG A 56 -4.219 -32.946 0.553 1.00 0.00 N ATOM 872 CA ARG A 56 -4.052 -32.519 1.964 1.00 0.00 C ATOM 873 C ARG A 56 -5.388 -31.995 2.556 1.00 0.00 C ATOM 874 O ARG A 56 -5.581 -31.992 3.775 1.00 0.00 O ATOM 875 CB ARG A 56 -2.929 -31.447 2.074 1.00 0.00 C ATOM 876 CG ARG A 56 -2.520 -31.055 3.521 1.00 0.00 C ATOM 877 CD ARG A 56 -2.119 -32.276 4.385 1.00 0.00 C ATOM 878 NE ARG A 56 -1.018 -33.067 3.785 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.908 -34.408 3.827 1.00 0.00 C ATOM 880 NH1 ARG A 56 -1.874 -35.158 4.348 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.157 -34.993 3.302 1.00 0.00 N ATOM 0 H ARG A 56 -3.846 -32.284 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.756 -33.388 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.046 -31.816 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.256 -30.548 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.685 -30.355 3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.350 -30.534 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.816 -31.932 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.988 -32.919 4.524 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.283 -32.552 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.714 -34.719 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.775 -36.173 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.888 -34.428 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.247 -36.009 3.330 1.00 0.00 H new ATOM 895 N PHE A 57 -6.311 -31.566 1.673 1.00 0.00 N ATOM 896 CA PHE A 57 -7.634 -31.030 2.068 1.00 0.00 C ATOM 897 C PHE A 57 -8.644 -32.162 2.408 1.00 0.00 C ATOM 898 O PHE A 57 -9.792 -31.875 2.770 1.00 0.00 O ATOM 899 CB PHE A 57 -8.178 -30.074 0.953 1.00 0.00 C ATOM 900 CG PHE A 57 -7.560 -28.659 0.916 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.236 -28.418 1.293 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.321 -27.567 0.504 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.704 -27.141 1.259 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.789 -26.290 0.472 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.483 -26.078 0.846 1.00 0.00 C ATOM 0 H PHE A 57 -6.163 -31.580 0.664 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.509 -30.452 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.014 -30.546 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.256 -29.975 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.618 -29.242 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.347 -27.720 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.679 -26.975 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.400 -25.459 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.067 -25.082 0.817 1.00 0.00 H new ATOM 915 N LYS A 58 -8.210 -33.439 2.295 1.00 0.00 N ATOM 916 CA LYS A 58 -9.019 -34.609 2.713 1.00 0.00 C ATOM 917 C LYS A 58 -9.079 -34.728 4.251 1.00 0.00 C ATOM 918 O LYS A 58 -10.070 -35.230 4.801 1.00 0.00 O ATOM 919 CB LYS A 58 -8.446 -35.917 2.103 1.00 0.00 C ATOM 920 CG LYS A 58 -8.281 -35.891 0.567 1.00 0.00 C ATOM 921 CD LYS A 58 -9.571 -35.503 -0.192 1.00 0.00 C ATOM 922 CE LYS A 58 -9.323 -35.321 -1.698 1.00 0.00 C ATOM 923 NZ LYS A 58 -10.542 -34.871 -2.409 1.00 0.00 N ATOM 0 H LYS A 58 -7.297 -33.687 1.915 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.032 -34.458 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.476 -36.119 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.102 -36.745 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.492 -35.186 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.953 -36.874 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.326 -36.274 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.971 -34.578 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.525 -34.594 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.980 -36.263 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.332 -34.760 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.296 -35.577 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.855 -33.959 -2.019 1.00 0.00 H new ATOM 937 N GLU A 59 -8.002 -34.276 4.931 1.00 0.00 N ATOM 938 CA GLU A 59 -7.903 -34.305 6.406 1.00 0.00 C ATOM 939 C GLU A 59 -8.990 -33.413 7.049 1.00 0.00 C ATOM 940 O GLU A 59 -9.042 -32.213 6.759 1.00 0.00 O ATOM 941 CB GLU A 59 -6.479 -33.852 6.879 1.00 0.00 C ATOM 942 CG GLU A 59 -5.386 -34.943 6.810 1.00 0.00 C ATOM 943 CD GLU A 59 -5.209 -35.570 5.414 1.00 0.00 C ATOM 944 OE1 GLU A 59 -4.743 -34.861 4.498 1.00 0.00 O ATOM 945 OE2 GLU A 59 -5.503 -36.775 5.237 1.00 0.00 O ATOM 0 H GLU A 59 -7.180 -33.882 4.474 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.064 -35.333 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.164 -33.005 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.551 -33.496 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.436 -34.511 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.630 -35.731 7.522 1.00 0.00 H new ATOM 952 N PRO A 60 -9.892 -33.983 7.918 1.00 0.00 N ATOM 953 CA PRO A 60 -10.846 -33.170 8.718 1.00 0.00 C ATOM 954 C PRO A 60 -10.104 -32.387 9.827 1.00 0.00 C ATOM 955 O PRO A 60 -10.565 -31.343 10.295 1.00 0.00 O ATOM 956 CB PRO A 60 -11.815 -34.229 9.302 1.00 0.00 C ATOM 957 CG PRO A 60 -10.998 -35.488 9.383 1.00 0.00 C ATOM 958 CD PRO A 60 -10.060 -35.445 8.193 1.00 0.00 C ATOM 0 HA PRO A 60 -11.366 -32.410 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.182 -33.931 10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.687 -34.363 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.441 -35.534 10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.635 -36.371 9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.106 -35.921 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.481 -35.967 7.334 1.00 0.00 H new ATOM 966 N ASP A 61 -8.924 -32.918 10.200 1.00 0.00 N ATOM 967 CA ASP A 61 -8.019 -32.340 11.201 1.00 0.00 C ATOM 968 C ASP A 61 -7.189 -31.181 10.610 1.00 0.00 C ATOM 969 O ASP A 61 -6.504 -30.477 11.360 1.00 0.00 O ATOM 970 CB ASP A 61 -7.079 -33.446 11.748 1.00 0.00 C ATOM 971 CG ASP A 61 -7.850 -34.626 12.369 1.00 0.00 C ATOM 972 OD1 ASP A 61 -8.286 -35.525 11.617 1.00 0.00 O ATOM 973 OD2 ASP A 61 -8.029 -34.656 13.608 1.00 0.00 O ATOM 0 H ASP A 61 -8.568 -33.786 9.799 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.621 -31.934 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.449 -33.815 10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.416 -33.015 12.498 1.00 0.00 H new ATOM 978 N LEU A 62 -7.234 -31.010 9.262 1.00 0.00 N ATOM 979 CA LEU A 62 -6.570 -29.883 8.574 1.00 0.00 C ATOM 980 C LEU A 62 -7.129 -28.549 9.106 1.00 0.00 C ATOM 981 O LEU A 62 -8.305 -28.229 8.905 1.00 0.00 O ATOM 982 CB LEU A 62 -6.761 -29.955 7.032 1.00 0.00 C ATOM 983 CG LEU A 62 -6.102 -28.789 6.214 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.568 -28.881 6.234 1.00 0.00 C ATOM 985 CD2 LEU A 62 -6.636 -28.729 4.772 1.00 0.00 C ATOM 0 H LEU A 62 -7.727 -31.644 8.633 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.502 -29.948 8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.352 -30.901 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.829 -29.968 6.816 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.384 -27.858 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.147 -28.058 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.213 -28.822 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.255 -29.828 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.155 -27.909 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.418 -29.668 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.714 -28.567 4.790 1.00 0.00 H new ATOM 997 N TYR A 63 -6.264 -27.812 9.801 1.00 0.00 N ATOM 998 CA TYR A 63 -6.604 -26.557 10.472 1.00 0.00 C ATOM 999 C TYR A 63 -5.369 -25.658 10.464 1.00 0.00 C ATOM 1000 O TYR A 63 -4.281 -26.113 10.805 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.071 -26.852 11.930 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.238 -25.620 12.847 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.106 -24.578 12.512 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.547 -25.522 14.062 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -8.272 -23.489 13.345 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -6.709 -24.431 14.894 1.00 0.00 C ATOM 1007 CZ TYR A 63 -7.577 -23.421 14.533 1.00 0.00 C ATOM 1008 OH TYR A 63 -7.745 -22.332 15.364 1.00 0.00 O ATOM 0 H TYR A 63 -5.286 -28.076 9.916 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.419 -26.053 9.954 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.024 -27.380 11.886 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.352 -27.529 12.391 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.657 -24.625 11.585 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.874 -26.315 14.354 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.945 -22.692 13.066 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.159 -24.369 15.822 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.985 -22.270 15.980 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.548 -24.405 10.040 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.510 -23.384 10.130 1.00 0.00 C ATOM 1020 C GLY A 64 -4.888 -22.347 11.168 1.00 0.00 C ATOM 1021 O GLY A 64 -6.011 -21.826 11.132 1.00 0.00 O ATOM 0 H GLY A 64 -6.418 -24.073 9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.558 -23.844 10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.374 -22.906 9.160 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.987 -22.081 12.123 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.164 -21.008 13.115 1.00 0.00 C ATOM 1027 C GLU A 65 -2.969 -20.054 13.011 1.00 0.00 C ATOM 1028 O GLU A 65 -1.865 -20.399 13.466 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.265 -21.592 14.547 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.572 -20.549 15.644 1.00 0.00 C ATOM 1031 CD GLU A 65 -4.595 -21.152 17.059 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -5.632 -21.724 17.457 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -3.577 -21.052 17.779 1.00 0.00 O ATOM 0 H GLU A 65 -3.116 -22.601 12.231 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.091 -20.471 12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.044 -22.355 14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.326 -22.090 14.790 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.823 -19.758 15.605 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.537 -20.086 15.437 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.170 -18.883 12.375 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.078 -17.934 12.128 1.00 0.00 C ATOM 1042 C LEU A 66 -1.596 -17.284 13.441 1.00 0.00 C ATOM 1043 O LEU A 66 -2.398 -16.899 14.303 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.463 -16.830 11.111 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.242 -15.972 10.611 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.557 -16.592 9.379 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.625 -14.500 10.349 1.00 0.00 C ATOM 0 H LEU A 66 -4.078 -18.576 12.026 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.265 -18.516 11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.945 -17.294 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.197 -16.167 11.569 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.518 -15.979 11.426 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.279 -15.963 9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.190 -17.587 9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.275 -16.665 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.748 -13.951 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.402 -14.456 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.996 -14.051 11.270 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.271 -17.167 13.550 1.00 0.00 N ATOM 1060 CA LEU A 67 0.429 -16.600 14.712 1.00 0.00 C ATOM 1061 C LEU A 67 0.942 -15.210 14.331 1.00 0.00 C ATOM 1062 O LEU A 67 0.710 -14.210 15.026 1.00 0.00 O ATOM 1063 CB LEU A 67 1.631 -17.521 15.053 1.00 0.00 C ATOM 1064 CG LEU A 67 1.344 -19.050 14.961 1.00 0.00 C ATOM 1065 CD1 LEU A 67 2.650 -19.851 14.894 1.00 0.00 C ATOM 1066 CD2 LEU A 67 0.427 -19.528 16.106 1.00 0.00 C ATOM 0 H LEU A 67 0.365 -17.472 12.813 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.236 -16.526 15.572 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.454 -17.281 14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.969 -17.291 16.064 1.00 0.00 H new ATOM 0 HG LEU A 67 0.803 -19.233 14.033 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.421 -20.915 14.830 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.218 -19.549 14.014 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.241 -19.660 15.790 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.250 -20.599 16.007 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.906 -19.326 17.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.524 -18.997 16.057 1.00 0.00 H new ATOM 1078 N THR A 68 1.634 -15.198 13.184 1.00 0.00 N ATOM 1079 CA THR A 68 2.358 -14.037 12.653 1.00 0.00 C ATOM 1080 C THR A 68 2.382 -14.095 11.110 1.00 0.00 C ATOM 1081 O THR A 68 2.507 -15.178 10.538 1.00 0.00 O ATOM 1082 CB THR A 68 3.831 -14.041 13.210 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.822 -13.842 14.637 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.746 -12.988 12.548 1.00 0.00 C ATOM 0 H THR A 68 1.707 -16.019 12.584 1.00 0.00 H new ATOM 0 HA THR A 68 1.854 -13.122 12.965 1.00 0.00 H new ATOM 0 HB THR A 68 4.246 -15.018 12.963 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.742 -13.848 14.974 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.744 -13.049 12.981 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.803 -13.178 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.337 -11.992 12.718 1.00 0.00 H new ATOM 1092 N ARG A 69 2.239 -12.929 10.449 1.00 0.00 N ATOM 1093 CA ARG A 69 2.539 -12.767 9.011 1.00 0.00 C ATOM 1094 C ARG A 69 3.425 -11.512 8.824 1.00 0.00 C ATOM 1095 O ARG A 69 3.135 -10.441 9.375 1.00 0.00 O ATOM 1096 CB ARG A 69 1.249 -12.688 8.136 1.00 0.00 C ATOM 1097 CG ARG A 69 0.285 -11.532 8.488 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.765 -11.259 7.393 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.663 -12.405 7.129 1.00 0.00 N ATOM 1100 CZ ARG A 69 -2.986 -12.308 6.879 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -3.602 -11.131 6.941 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -3.682 -13.392 6.564 1.00 0.00 N ATOM 0 H ARG A 69 1.912 -12.073 10.896 1.00 0.00 H new ATOM 0 HA ARG A 69 3.076 -13.651 8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.543 -12.589 7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.709 -13.631 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.226 -11.766 9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.864 -10.625 8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.366 -10.398 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.252 -10.991 6.469 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.251 -13.338 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.074 -10.291 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.602 -11.068 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.218 -14.299 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.682 -13.319 6.375 1.00 0.00 H new ATOM 1116 N VAL A 70 4.528 -11.683 8.079 1.00 0.00 N ATOM 1117 CA VAL A 70 5.520 -10.629 7.784 1.00 0.00 C ATOM 1118 C VAL A 70 5.632 -10.411 6.258 1.00 0.00 C ATOM 1119 O VAL A 70 5.812 -11.363 5.494 1.00 0.00 O ATOM 1120 CB VAL A 70 6.934 -10.972 8.414 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.898 -10.873 9.959 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.436 -12.365 7.981 1.00 0.00 C ATOM 0 H VAL A 70 4.764 -12.579 7.653 1.00 0.00 H new ATOM 0 HA VAL A 70 5.176 -9.702 8.243 1.00 0.00 H new ATOM 0 HB VAL A 70 7.636 -10.230 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.882 -11.114 10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.624 -9.860 10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.163 -11.576 10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.408 -12.559 8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.725 -13.125 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.530 -12.397 6.896 1.00 0.00 H new ATOM 1132 N ILE A 71 5.494 -9.146 5.821 1.00 0.00 N ATOM 1133 CA ILE A 71 5.607 -8.765 4.393 1.00 0.00 C ATOM 1134 C ILE A 71 6.981 -8.113 4.136 1.00 0.00 C ATOM 1135 O ILE A 71 7.349 -7.126 4.788 1.00 0.00 O ATOM 1136 CB ILE A 71 4.418 -7.822 3.928 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.539 -7.472 2.402 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.299 -6.551 4.802 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.367 -6.687 1.828 1.00 0.00 C ATOM 0 H ILE A 71 5.302 -8.359 6.441 1.00 0.00 H new ATOM 0 HA ILE A 71 5.529 -9.671 3.792 1.00 0.00 H new ATOM 0 HB ILE A 71 3.492 -8.379 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.452 -6.898 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.647 -8.399 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.471 -5.939 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.116 -6.837 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.225 -5.980 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.542 -6.493 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.450 -7.265 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.269 -5.740 2.359 1.00 0.00 H new ATOM 1151 N VAL A 72 7.762 -8.723 3.226 1.00 0.00 N ATOM 1152 CA VAL A 72 9.092 -8.237 2.817 1.00 0.00 C ATOM 1153 C VAL A 72 9.067 -7.962 1.295 1.00 0.00 C ATOM 1154 O VAL A 72 9.272 -8.882 0.490 1.00 0.00 O ATOM 1155 CB VAL A 72 10.240 -9.282 3.156 1.00 0.00 C ATOM 1156 CG1 VAL A 72 11.638 -8.617 3.068 1.00 0.00 C ATOM 1157 CG2 VAL A 72 10.021 -9.953 4.537 1.00 0.00 C ATOM 0 H VAL A 72 7.483 -9.579 2.748 1.00 0.00 H new ATOM 0 HA VAL A 72 9.313 -7.325 3.372 1.00 0.00 H new ATOM 0 HB VAL A 72 10.194 -10.072 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.407 -9.353 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.797 -8.237 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.694 -7.793 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.828 -10.660 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.014 -9.190 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.068 -10.481 4.538 1.00 0.00 H new ATOM 1167 N GLY A 73 8.800 -6.697 0.920 1.00 0.00 N ATOM 1168 CA GLY A 73 8.704 -6.294 -0.491 1.00 0.00 C ATOM 1169 C GLY A 73 7.538 -6.966 -1.218 1.00 0.00 C ATOM 1170 O GLY A 73 6.377 -6.779 -0.835 1.00 0.00 O ATOM 0 H GLY A 73 8.647 -5.935 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.588 -5.212 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.636 -6.542 -1.000 1.00 0.00 H new ATOM 1174 N ASN A 74 7.857 -7.768 -2.257 1.00 0.00 N ATOM 1175 CA ASN A 74 6.851 -8.511 -3.050 1.00 0.00 C ATOM 1176 C ASN A 74 6.671 -9.960 -2.533 1.00 0.00 C ATOM 1177 O ASN A 74 5.980 -10.775 -3.156 1.00 0.00 O ATOM 1178 CB ASN A 74 7.244 -8.519 -4.550 1.00 0.00 C ATOM 1179 CG ASN A 74 8.510 -9.326 -4.860 1.00 0.00 C ATOM 1180 OD1 ASN A 74 8.354 -10.627 -5.070 1.00 0.00 O flip ATOM 1181 ND2 ASN A 74 9.612 -8.789 -4.904 1.00 0.00 N flip ATOM 0 H ASN A 74 8.816 -7.919 -2.570 1.00 0.00 H new ATOM 0 HA ASN A 74 5.896 -7.998 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.415 -8.926 -5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.391 -7.491 -4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.698 -7.786 -4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.443 -9.345 -5.107 1.00 0.00 H new ATOM 1188 N VAL A 75 7.295 -10.257 -1.394 1.00 0.00 N ATOM 1189 CA VAL A 75 7.286 -11.588 -0.756 1.00 0.00 C ATOM 1190 C VAL A 75 6.580 -11.473 0.612 1.00 0.00 C ATOM 1191 O VAL A 75 6.721 -10.458 1.284 1.00 0.00 O ATOM 1192 CB VAL A 75 8.772 -12.107 -0.561 1.00 0.00 C ATOM 1193 CG1 VAL A 75 8.823 -13.499 0.109 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.555 -12.108 -1.900 1.00 0.00 C ATOM 0 H VAL A 75 7.836 -9.568 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 75 6.754 -12.299 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 75 9.260 -11.405 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.861 -13.811 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.352 -13.448 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.292 -14.221 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.569 -12.469 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.053 -12.761 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.594 -11.095 -2.300 1.00 0.00 H new ATOM 1204 N VAL A 76 5.779 -12.486 0.997 1.00 0.00 N ATOM 1205 CA VAL A 76 5.212 -12.593 2.363 1.00 0.00 C ATOM 1206 C VAL A 76 5.554 -13.964 2.956 1.00 0.00 C ATOM 1207 O VAL A 76 5.411 -14.984 2.284 1.00 0.00 O ATOM 1208 CB VAL A 76 3.638 -12.387 2.401 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.034 -12.704 3.801 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.236 -10.960 1.974 1.00 0.00 C ATOM 0 H VAL A 76 5.506 -13.249 0.378 1.00 0.00 H new ATOM 0 HA VAL A 76 5.658 -11.792 2.953 1.00 0.00 H new ATOM 0 HB VAL A 76 3.227 -13.097 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.955 -12.548 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.245 -13.741 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.478 -12.045 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.151 -10.860 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.692 -10.236 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.581 -10.774 0.957 1.00 0.00 H new ATOM 1220 N ILE A 77 6.023 -13.969 4.215 1.00 0.00 N ATOM 1221 CA ILE A 77 6.082 -15.173 5.039 1.00 0.00 C ATOM 1222 C ILE A 77 4.890 -15.142 5.995 1.00 0.00 C ATOM 1223 O ILE A 77 4.805 -14.250 6.836 1.00 0.00 O ATOM 1224 CB ILE A 77 7.408 -15.266 5.884 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.657 -15.412 4.963 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.334 -16.390 6.956 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.901 -15.966 5.638 1.00 0.00 C ATOM 0 H ILE A 77 6.371 -13.133 4.685 1.00 0.00 H new ATOM 0 HA ILE A 77 6.058 -16.040 4.379 1.00 0.00 H new ATOM 0 HB ILE A 77 7.517 -14.327 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.398 -16.062 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.896 -14.434 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.268 -16.420 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.508 -16.188 7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.174 -17.350 6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.712 -16.028 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.195 -15.308 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.689 -16.960 6.031 1.00 0.00 H new ATOM 1239 N ASP A 78 3.961 -16.081 5.857 1.00 0.00 N ATOM 1240 CA ASP A 78 2.947 -16.321 6.893 1.00 0.00 C ATOM 1241 C ASP A 78 3.440 -17.479 7.757 1.00 0.00 C ATOM 1242 O ASP A 78 4.190 -18.337 7.290 1.00 0.00 O ATOM 1243 CB ASP A 78 1.540 -16.602 6.300 1.00 0.00 C ATOM 1244 CG ASP A 78 1.432 -17.911 5.505 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.107 -18.970 6.101 1.00 0.00 O ATOM 1246 OD2 ASP A 78 1.661 -17.878 4.285 1.00 0.00 O ATOM 0 H ASP A 78 3.884 -16.690 5.043 1.00 0.00 H new ATOM 0 HA ASP A 78 2.823 -15.422 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.815 -16.625 7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.262 -15.773 5.649 1.00 0.00 H new ATOM 1251 N HIS A 79 3.047 -17.486 9.020 1.00 0.00 N ATOM 1252 CA HIS A 79 3.486 -18.497 9.977 1.00 0.00 C ATOM 1253 C HIS A 79 2.288 -18.916 10.827 1.00 0.00 C ATOM 1254 O HIS A 79 1.823 -18.147 11.678 1.00 0.00 O ATOM 1255 CB HIS A 79 4.645 -17.912 10.834 1.00 0.00 C ATOM 1256 CG HIS A 79 5.247 -18.870 11.823 1.00 0.00 C ATOM 1257 ND1 HIS A 79 5.371 -18.583 13.162 1.00 0.00 N ATOM 1258 CD2 HIS A 79 5.789 -20.100 11.658 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.963 -19.587 13.777 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.230 -20.522 12.887 1.00 0.00 N ATOM 0 H HIS A 79 2.413 -16.791 9.415 1.00 0.00 H new ATOM 0 HA HIS A 79 3.866 -19.385 9.472 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.431 -17.562 10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.274 -17.041 11.374 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.861 -20.648 10.730 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.191 -19.636 14.832 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.689 -21.412 13.080 1.00 0.00 H new ATOM 1269 N GLU A 80 1.771 -20.130 10.561 1.00 0.00 N ATOM 1270 CA GLU A 80 0.668 -20.727 11.333 1.00 0.00 C ATOM 1271 C GLU A 80 1.165 -21.988 12.046 1.00 0.00 C ATOM 1272 O GLU A 80 2.177 -22.578 11.653 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.558 -21.125 10.436 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.894 -20.193 9.261 1.00 0.00 C ATOM 1275 CD GLU A 80 -2.272 -20.507 8.643 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -2.373 -21.437 7.810 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -3.270 -19.844 9.026 1.00 0.00 O ATOM 0 H GLU A 80 2.108 -20.724 9.803 1.00 0.00 H new ATOM 0 HA GLU A 80 0.338 -19.969 12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.376 -22.122 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.438 -21.194 11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.879 -19.159 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.124 -20.286 8.495 1.00 0.00 H new ATOM 1284 N THR A 81 0.445 -22.390 13.102 1.00 0.00 N ATOM 1285 CA THR A 81 0.558 -23.736 13.670 1.00 0.00 C ATOM 1286 C THR A 81 -0.584 -24.578 13.075 1.00 0.00 C ATOM 1287 O THR A 81 -1.754 -24.407 13.454 1.00 0.00 O ATOM 1288 CB THR A 81 0.483 -23.710 15.236 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.491 -22.829 15.751 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.681 -25.108 15.851 1.00 0.00 C ATOM 0 H THR A 81 -0.228 -21.793 13.583 1.00 0.00 H new ATOM 0 HA THR A 81 1.526 -24.169 13.419 1.00 0.00 H new ATOM 0 HB THR A 81 -0.512 -23.359 15.508 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.442 -22.812 16.730 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.621 -25.040 16.937 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.096 -25.779 15.486 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.659 -25.496 15.566 1.00 0.00 H new ATOM 1298 N VAL A 82 -0.249 -25.441 12.097 1.00 0.00 N ATOM 1299 CA VAL A 82 -1.235 -26.247 11.366 1.00 0.00 C ATOM 1300 C VAL A 82 -1.374 -27.656 11.980 1.00 0.00 C ATOM 1301 O VAL A 82 -0.398 -28.389 12.132 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.918 -26.328 9.821 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.949 -24.917 9.179 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.423 -27.041 9.535 1.00 0.00 C ATOM 0 H VAL A 82 0.713 -25.596 11.795 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.193 -25.738 11.467 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.700 -26.933 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.728 -24.997 8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.938 -24.478 9.312 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.203 -24.283 9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.597 -27.072 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.235 -26.497 10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.385 -28.058 9.926 1.00 0.00 H new ATOM 1314 N THR A 83 -2.613 -28.012 12.325 1.00 0.00 N ATOM 1315 CA THR A 83 -2.948 -29.263 13.013 1.00 0.00 C ATOM 1316 C THR A 83 -2.910 -30.475 12.049 1.00 0.00 C ATOM 1317 O THR A 83 -3.577 -30.470 11.007 1.00 0.00 O ATOM 1318 CB THR A 83 -4.358 -29.118 13.665 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.347 -28.027 14.607 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.830 -30.405 14.370 1.00 0.00 C ATOM 0 H THR A 83 -3.427 -27.429 12.131 1.00 0.00 H new ATOM 0 HA THR A 83 -2.202 -29.451 13.785 1.00 0.00 H new ATOM 0 HB THR A 83 -5.063 -28.919 12.858 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.177 -28.036 15.127 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.817 -30.241 14.804 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.882 -31.218 13.646 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.126 -30.667 15.160 1.00 0.00 H new ATOM 1328 N ARG A 84 -2.080 -31.482 12.395 1.00 0.00 N ATOM 1329 CA ARG A 84 -2.015 -32.793 11.708 1.00 0.00 C ATOM 1330 C ARG A 84 -2.351 -33.917 12.722 1.00 0.00 C ATOM 1331 O ARG A 84 -2.842 -33.635 13.823 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.598 -33.012 11.084 1.00 0.00 C ATOM 1333 CG ARG A 84 -0.174 -31.944 10.054 1.00 0.00 C ATOM 1334 CD ARG A 84 -1.082 -31.931 8.813 1.00 0.00 C ATOM 1335 NE ARG A 84 -0.754 -30.830 7.893 1.00 0.00 N ATOM 1336 CZ ARG A 84 -1.400 -29.658 7.826 1.00 0.00 C ATOM 1337 NH1 ARG A 84 -2.388 -29.360 8.674 1.00 0.00 N ATOM 1338 NH2 ARG A 84 -1.032 -28.766 6.921 1.00 0.00 N ATOM 0 H ARG A 84 -1.424 -31.407 13.173 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.743 -32.816 10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.138 -33.034 11.888 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.575 -33.990 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.194 -30.961 10.525 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.855 -32.129 9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.989 -32.881 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.122 -31.842 9.127 1.00 0.00 H new ATOM 0 HE ARG A 84 0.029 -30.971 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.664 -30.031 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.866 -28.462 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.264 -28.974 6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.517 -27.871 6.861 1.00 0.00 H new ATOM 1352 N ASN A 85 -2.104 -35.187 12.335 1.00 0.00 N ATOM 1353 CA ASN A 85 -2.303 -36.382 13.202 1.00 0.00 C ATOM 1354 C ASN A 85 -0.984 -37.174 13.299 1.00 0.00 C ATOM 1355 O ASN A 85 -0.579 -37.835 12.336 1.00 0.00 O ATOM 1356 CB ASN A 85 -3.449 -37.289 12.646 1.00 0.00 C ATOM 1357 CG ASN A 85 -4.867 -36.925 13.122 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -5.105 -35.681 13.522 1.00 0.00 O flip ATOM 1359 ND2 ASN A 85 -5.748 -37.781 13.162 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.757 -35.420 11.404 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.595 -36.050 14.198 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.427 -37.247 11.557 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.243 -38.321 12.929 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.550 -38.732 12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.678 -37.540 13.506 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.302 -37.065 14.456 1.00 0.00 N ATOM 1367 CA PHE A 86 0.998 -37.739 14.710 1.00 0.00 C ATOM 1368 C PHE A 86 0.853 -38.838 15.792 1.00 0.00 C ATOM 1369 O PHE A 86 0.005 -38.719 16.682 1.00 0.00 O ATOM 1370 CB PHE A 86 2.077 -36.699 15.151 1.00 0.00 C ATOM 1371 CG PHE A 86 2.601 -35.749 14.062 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.126 -35.787 12.746 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.577 -34.799 14.368 1.00 0.00 C ATOM 1374 CE1 PHE A 86 2.608 -34.917 11.788 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.049 -33.936 13.404 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.568 -33.992 12.121 1.00 0.00 C ATOM 0 H PHE A 86 -0.632 -36.508 15.244 1.00 0.00 H new ATOM 0 HA PHE A 86 1.317 -38.210 13.780 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.660 -36.096 15.958 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.925 -37.243 15.566 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.370 -36.509 12.475 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.967 -34.740 15.373 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.230 -34.964 10.777 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.805 -33.209 13.661 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.943 -33.310 11.373 1.00 0.00 H new ATOM 1386 N PRO A 87 1.680 -39.941 15.723 1.00 0.00 N ATOM 1387 CA PRO A 87 1.705 -41.001 16.768 1.00 0.00 C ATOM 1388 C PRO A 87 2.200 -40.499 18.151 1.00 0.00 C ATOM 1389 O PRO A 87 1.955 -41.155 19.174 1.00 0.00 O ATOM 1390 CB PRO A 87 2.655 -42.080 16.174 1.00 0.00 C ATOM 1391 CG PRO A 87 3.505 -41.336 15.191 1.00 0.00 C ATOM 1392 CD PRO A 87 2.601 -40.278 14.597 1.00 0.00 C ATOM 0 HA PRO A 87 0.704 -41.376 16.980 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.262 -42.545 16.951 1.00 0.00 H new ATOM 0 HB3 PRO A 87 2.094 -42.878 15.688 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.368 -40.885 15.680 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.889 -42.003 14.419 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.166 -39.407 14.265 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.057 -40.654 13.731 1.00 0.00 H new ATOM 1400 N GLU A 88 2.900 -39.344 18.182 1.00 0.00 N ATOM 1401 CA GLU A 88 3.408 -38.739 19.443 1.00 0.00 C ATOM 1402 C GLU A 88 2.361 -37.821 20.120 1.00 0.00 C ATOM 1403 O GLU A 88 2.609 -37.301 21.217 1.00 0.00 O ATOM 1404 CB GLU A 88 4.745 -37.967 19.204 1.00 0.00 C ATOM 1405 CG GLU A 88 4.711 -36.857 18.108 1.00 0.00 C ATOM 1406 CD GLU A 88 5.302 -37.285 16.750 1.00 0.00 C ATOM 1407 OE1 GLU A 88 4.923 -38.355 16.239 1.00 0.00 O ATOM 1408 OE2 GLU A 88 6.129 -36.540 16.182 1.00 0.00 O ATOM 0 H GLU A 88 3.129 -38.806 17.346 1.00 0.00 H new ATOM 0 HA GLU A 88 3.604 -39.565 20.127 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.050 -37.510 20.145 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.515 -38.690 18.936 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.678 -36.543 17.958 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.259 -35.988 18.471 1.00 0.00 H new ATOM 1415 N GLY A 89 1.200 -37.612 19.470 1.00 0.00 N ATOM 1416 CA GLY A 89 0.094 -36.858 20.080 1.00 0.00 C ATOM 1417 C GLY A 89 -0.744 -36.118 19.048 1.00 0.00 C ATOM 1418 O GLY A 89 -1.298 -36.745 18.140 1.00 0.00 O ATOM 0 H GLY A 89 1.007 -37.953 18.528 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.544 -37.543 20.638 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.498 -36.143 20.797 1.00 0.00 H new ATOM 1422 N LYS A 90 -0.852 -34.786 19.208 1.00 0.00 N ATOM 1423 CA LYS A 90 -1.574 -33.906 18.285 1.00 0.00 C ATOM 1424 C LYS A 90 -0.972 -33.961 16.862 1.00 0.00 C ATOM 1425 O LYS A 90 -1.461 -34.715 16.015 1.00 0.00 O ATOM 1426 CB LYS A 90 -1.578 -32.459 18.853 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.299 -31.400 17.989 1.00 0.00 C ATOM 1428 CD LYS A 90 -3.770 -31.740 17.675 1.00 0.00 C ATOM 1429 CE LYS A 90 -4.625 -31.974 18.928 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.067 -32.053 18.597 1.00 0.00 N ATOM 0 H LYS A 90 -0.433 -34.289 19.994 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.604 -34.251 18.197 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.045 -32.477 19.838 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.545 -32.142 18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.261 -30.440 18.503 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.756 -31.281 17.051 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.206 -30.928 17.094 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.803 -32.633 17.050 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.312 -32.897 19.416 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.458 -31.165 19.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.615 -32.212 19.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.371 -31.162 18.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.229 -32.841 17.937 1.00 0.00 H new ATOM 1444 N GLY A 91 0.110 -33.201 16.626 1.00 0.00 N ATOM 1445 CA GLY A 91 0.712 -33.100 15.297 1.00 0.00 C ATOM 1446 C GLY A 91 0.627 -31.711 14.709 1.00 0.00 C ATOM 1447 O GLY A 91 0.675 -31.537 13.491 1.00 0.00 O ATOM 0 H GLY A 91 0.582 -32.649 17.342 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.758 -33.399 15.356 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.217 -33.802 14.627 1.00 0.00 H new ATOM 1451 N GLU A 92 0.567 -30.706 15.579 1.00 0.00 N ATOM 1452 CA GLU A 92 0.357 -29.317 15.165 1.00 0.00 C ATOM 1453 C GLU A 92 1.732 -28.678 14.895 1.00 0.00 C ATOM 1454 O GLU A 92 2.486 -28.403 15.797 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.459 -28.565 16.267 1.00 0.00 C ATOM 1456 CG GLU A 92 0.164 -28.623 17.687 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.631 -27.914 18.787 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -1.460 -27.028 18.481 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -0.398 -28.214 19.978 1.00 0.00 O ATOM 0 H GLU A 92 0.662 -30.828 16.587 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.225 -29.257 14.246 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.564 -27.521 15.973 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.463 -28.987 16.308 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.286 -29.669 17.968 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.162 -28.186 17.645 1.00 0.00 H new ATOM 1466 N VAL A 93 2.083 -28.501 13.617 1.00 0.00 N ATOM 1467 CA VAL A 93 3.438 -28.072 13.221 1.00 0.00 C ATOM 1468 C VAL A 93 3.417 -26.602 12.793 1.00 0.00 C ATOM 1469 O VAL A 93 2.544 -26.178 12.030 1.00 0.00 O ATOM 1470 CB VAL A 93 4.052 -28.989 12.081 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.071 -30.462 12.522 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.316 -28.859 10.728 1.00 0.00 C ATOM 0 H VAL A 93 1.448 -28.648 12.833 1.00 0.00 H new ATOM 0 HA VAL A 93 4.087 -28.181 14.090 1.00 0.00 H new ATOM 0 HB VAL A 93 5.071 -28.635 11.925 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.496 -31.074 11.727 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.677 -30.565 13.422 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.053 -30.793 12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.787 -29.512 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.272 -29.146 10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.370 -27.827 10.382 1.00 0.00 H new ATOM 1482 N ASP A 94 4.354 -25.813 13.334 1.00 0.00 N ATOM 1483 CA ASP A 94 4.533 -24.416 12.934 1.00 0.00 C ATOM 1484 C ASP A 94 5.296 -24.418 11.602 1.00 0.00 C ATOM 1485 O ASP A 94 6.297 -25.120 11.466 1.00 0.00 O ATOM 1486 CB ASP A 94 5.276 -23.597 14.036 1.00 0.00 C ATOM 1487 CG ASP A 94 6.770 -23.953 14.204 1.00 0.00 C ATOM 1488 OD1 ASP A 94 7.078 -25.112 14.541 1.00 0.00 O ATOM 1489 OD2 ASP A 94 7.640 -23.075 13.999 1.00 0.00 O ATOM 0 H ASP A 94 5.004 -26.124 14.056 1.00 0.00 H new ATOM 0 HA ASP A 94 3.567 -23.927 12.808 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.193 -22.536 13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.770 -23.752 14.989 1.00 0.00 H new ATOM 1494 N VAL A 95 4.776 -23.720 10.584 1.00 0.00 N ATOM 1495 CA VAL A 95 5.405 -23.669 9.249 1.00 0.00 C ATOM 1496 C VAL A 95 5.488 -22.210 8.783 1.00 0.00 C ATOM 1497 O VAL A 95 4.484 -21.486 8.808 1.00 0.00 O ATOM 1498 CB VAL A 95 4.616 -24.515 8.181 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.345 -24.533 6.817 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.317 -25.951 8.674 1.00 0.00 C ATOM 0 H VAL A 95 3.915 -23.178 10.657 1.00 0.00 H new ATOM 0 HA VAL A 95 6.401 -24.102 9.338 1.00 0.00 H new ATOM 0 HB VAL A 95 3.656 -24.019 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.771 -25.126 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.443 -23.514 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.335 -24.972 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.772 -26.494 7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.254 -26.465 8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.714 -25.906 9.581 1.00 0.00 H new ATOM 1510 N ALA A 96 6.702 -21.779 8.413 1.00 0.00 N ATOM 1511 CA ALA A 96 6.944 -20.468 7.798 1.00 0.00 C ATOM 1512 C ALA A 96 6.832 -20.613 6.272 1.00 0.00 C ATOM 1513 O ALA A 96 7.758 -21.095 5.605 1.00 0.00 O ATOM 1514 CB ALA A 96 8.319 -19.921 8.226 1.00 0.00 C ATOM 0 H ALA A 96 7.549 -22.335 8.533 1.00 0.00 H new ATOM 0 HA ALA A 96 6.198 -19.748 8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.484 -18.949 7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.347 -19.815 9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.100 -20.612 7.909 1.00 0.00 H new ATOM 1520 N CYS A 97 5.666 -20.231 5.743 1.00 0.00 N ATOM 1521 CA CYS A 97 5.321 -20.371 4.329 1.00 0.00 C ATOM 1522 C CYS A 97 5.646 -19.052 3.605 1.00 0.00 C ATOM 1523 O CYS A 97 4.978 -18.035 3.806 1.00 0.00 O ATOM 1524 CB CYS A 97 3.822 -20.722 4.219 1.00 0.00 C ATOM 1525 SG CYS A 97 3.326 -22.151 5.209 1.00 0.00 S ATOM 0 H CYS A 97 4.922 -19.808 6.298 1.00 0.00 H new ATOM 0 HA CYS A 97 5.898 -21.169 3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.234 -19.858 4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.581 -20.916 3.174 1.00 0.00 H new ATOM 0 HG CYS A 97 2.053 -22.366 5.054 1.00 0.00 H new ATOM 1531 N ILE A 98 6.706 -19.093 2.781 1.00 0.00 N ATOM 1532 CA ILE A 98 7.282 -17.917 2.107 1.00 0.00 C ATOM 1533 C ILE A 98 6.917 -17.915 0.596 1.00 0.00 C ATOM 1534 O ILE A 98 7.415 -18.723 -0.188 1.00 0.00 O ATOM 1535 CB ILE A 98 8.851 -17.868 2.362 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.523 -16.685 1.586 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.542 -19.226 2.081 1.00 0.00 C ATOM 1538 CD1 ILE A 98 11.009 -16.479 1.864 1.00 0.00 C ATOM 0 H ILE A 98 7.196 -19.960 2.560 1.00 0.00 H new ATOM 0 HA ILE A 98 6.854 -17.007 2.527 1.00 0.00 H new ATOM 0 HB ILE A 98 8.993 -17.675 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.391 -16.853 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.994 -15.764 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.612 -19.136 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.121 -19.991 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.381 -19.508 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.376 -15.637 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.156 -16.274 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.559 -17.379 1.589 1.00 0.00 H new ATOM 1550 N TYR A 99 6.000 -17.003 0.215 1.00 0.00 N ATOM 1551 CA TYR A 99 5.487 -16.860 -1.169 1.00 0.00 C ATOM 1552 C TYR A 99 6.118 -15.641 -1.837 1.00 0.00 C ATOM 1553 O TYR A 99 6.103 -14.554 -1.259 1.00 0.00 O ATOM 1554 CB TYR A 99 3.942 -16.663 -1.170 1.00 0.00 C ATOM 1555 CG TYR A 99 3.157 -17.795 -0.507 1.00 0.00 C ATOM 1556 CD1 TYR A 99 3.148 -17.933 0.874 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.442 -18.730 -1.254 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.459 -18.959 1.483 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.747 -19.756 -0.642 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.765 -19.868 0.726 1.00 0.00 C ATOM 1561 OH TYR A 99 1.077 -20.890 1.349 1.00 0.00 O ATOM 0 H TYR A 99 5.587 -16.335 0.866 1.00 0.00 H new ATOM 0 HA TYR A 99 5.742 -17.770 -1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.707 -15.728 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.603 -16.558 -2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.690 -17.224 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.431 -18.651 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.465 -19.048 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.192 -20.466 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 99 0.637 -21.447 0.674 1.00 0.00 H new ATOM 1571 N GLU A 100 6.635 -15.814 -3.061 1.00 0.00 N ATOM 1572 CA GLU A 100 7.041 -14.688 -3.907 1.00 0.00 C ATOM 1573 C GLU A 100 5.903 -14.395 -4.893 1.00 0.00 C ATOM 1574 O GLU A 100 5.594 -15.206 -5.777 1.00 0.00 O ATOM 1575 CB GLU A 100 8.352 -14.997 -4.675 1.00 0.00 C ATOM 1576 CG GLU A 100 8.830 -13.834 -5.565 1.00 0.00 C ATOM 1577 CD GLU A 100 10.151 -14.105 -6.303 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.122 -14.619 -7.444 1.00 0.00 O ATOM 1579 OE2 GLU A 100 11.227 -13.781 -5.753 1.00 0.00 O ATOM 0 H GLU A 100 6.782 -16.729 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 100 7.235 -13.819 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.135 -15.241 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.201 -15.881 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.056 -13.612 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.948 -12.944 -4.947 1.00 0.00 H new ATOM 1586 N VAL A 101 5.273 -13.236 -4.704 1.00 0.00 N ATOM 1587 CA VAL A 101 4.156 -12.765 -5.527 1.00 0.00 C ATOM 1588 C VAL A 101 4.682 -11.754 -6.561 1.00 0.00 C ATOM 1589 O VAL A 101 5.351 -10.783 -6.197 1.00 0.00 O ATOM 1590 CB VAL A 101 3.048 -12.115 -4.615 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.853 -11.585 -5.441 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.570 -13.117 -3.531 1.00 0.00 C ATOM 0 H VAL A 101 5.528 -12.585 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 101 3.705 -13.606 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 101 3.501 -11.257 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.114 -11.146 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.203 -10.827 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.399 -12.408 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.805 -12.647 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.154 -14.002 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.414 -13.407 -2.906 1.00 0.00 H new ATOM 1602 N GLU A 102 4.408 -12.013 -7.851 1.00 0.00 N ATOM 1603 CA GLU A 102 4.783 -11.117 -8.956 1.00 0.00 C ATOM 1604 C GLU A 102 3.536 -10.772 -9.803 1.00 0.00 C ATOM 1605 O GLU A 102 2.803 -11.668 -10.239 1.00 0.00 O ATOM 1606 CB GLU A 102 5.900 -11.764 -9.820 1.00 0.00 C ATOM 1607 CG GLU A 102 6.440 -10.892 -10.975 1.00 0.00 C ATOM 1608 CD GLU A 102 6.950 -9.503 -10.530 1.00 0.00 C ATOM 1609 OE1 GLU A 102 8.080 -9.413 -10.006 1.00 0.00 O ATOM 1610 OE2 GLU A 102 6.219 -8.496 -10.699 1.00 0.00 O ATOM 0 H GLU A 102 3.918 -12.854 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 102 5.179 -10.188 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.733 -12.027 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.517 -12.694 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.253 -11.425 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.651 -10.758 -11.715 1.00 0.00 H new ATOM 1617 N ASN A 103 3.323 -9.454 -10.009 1.00 0.00 N ATOM 1618 CA ASN A 103 2.153 -8.870 -10.715 1.00 0.00 C ATOM 1619 C ASN A 103 0.813 -9.201 -10.000 1.00 0.00 C ATOM 1620 O ASN A 103 -0.247 -9.254 -10.639 1.00 0.00 O ATOM 1621 CB ASN A 103 2.108 -9.294 -12.218 1.00 0.00 C ATOM 1622 CG ASN A 103 3.375 -8.918 -13.000 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.286 -9.867 -13.169 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 3.516 -7.794 -13.476 1.00 0.00 N flip ATOM 0 H ASN A 103 3.977 -8.743 -9.681 1.00 0.00 H new ATOM 0 HA ASN A 103 2.281 -7.788 -10.682 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.960 -10.372 -12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.245 -8.827 -12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.798 -7.084 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.351 -7.571 -14.018 1.00 0.00 H new ATOM 1631 N GLY A 104 0.858 -9.353 -8.662 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.346 -9.634 -7.860 1.00 0.00 C ATOM 1633 C GLY A 104 -0.742 -11.116 -7.837 1.00 0.00 C ATOM 1634 O GLY A 104 -1.752 -11.489 -7.224 1.00 0.00 O ATOM 0 H GLY A 104 1.716 -9.286 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.177 -9.297 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.178 -9.051 -8.254 1.00 0.00 H new ATOM 1638 N ARG A 105 0.066 -11.964 -8.504 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.139 -13.422 -8.566 1.00 0.00 C ATOM 1640 C ARG A 105 1.129 -14.124 -8.081 1.00 0.00 C ATOM 1641 O ARG A 105 2.226 -13.732 -8.459 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.481 -13.888 -10.010 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.782 -13.294 -10.586 1.00 0.00 C ATOM 1644 CD ARG A 105 -3.033 -13.693 -9.781 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.244 -12.998 -10.259 1.00 0.00 N ATOM 1646 CZ ARG A 105 -4.817 -11.937 -9.662 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.311 -11.410 -8.550 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -5.899 -11.393 -10.191 1.00 0.00 N ATOM 0 H ARG A 105 0.888 -11.651 -9.020 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.982 -13.681 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.346 -13.623 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.559 -14.975 -10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.701 -12.207 -10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.900 -13.624 -11.618 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -3.182 -14.770 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.875 -13.462 -8.728 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.682 -13.350 -11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.471 -11.810 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.763 -10.605 -8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.296 -11.778 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.337 -10.589 -9.742 1.00 0.00 H new ATOM 1662 N ILE A 106 0.957 -15.151 -7.249 1.00 0.00 N ATOM 1663 CA ILE A 106 2.053 -15.927 -6.657 1.00 0.00 C ATOM 1664 C ILE A 106 2.858 -16.624 -7.768 1.00 0.00 C ATOM 1665 O ILE A 106 2.401 -17.603 -8.355 1.00 0.00 O ATOM 1666 CB ILE A 106 1.476 -16.974 -5.625 1.00 0.00 C ATOM 1667 CG1 ILE A 106 0.620 -16.242 -4.541 1.00 0.00 C ATOM 1668 CG2 ILE A 106 2.599 -17.815 -4.973 1.00 0.00 C ATOM 1669 CD1 ILE A 106 -0.122 -17.149 -3.577 1.00 0.00 C ATOM 0 H ILE A 106 0.034 -15.475 -6.960 1.00 0.00 H new ATOM 0 HA ILE A 106 2.724 -15.258 -6.119 1.00 0.00 H new ATOM 0 HB ILE A 106 0.835 -17.667 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.275 -15.587 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.106 -15.604 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.161 -18.523 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.141 -18.359 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.287 -17.156 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.684 -16.543 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.809 -17.787 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.593 -17.770 -3.038 1.00 0.00 H new ATOM 1681 N ALA A 107 4.035 -16.058 -8.084 1.00 0.00 N ATOM 1682 CA ALA A 107 4.913 -16.561 -9.157 1.00 0.00 C ATOM 1683 C ALA A 107 5.697 -17.789 -8.686 1.00 0.00 C ATOM 1684 O ALA A 107 6.065 -18.658 -9.486 1.00 0.00 O ATOM 1685 CB ALA A 107 5.875 -15.451 -9.609 1.00 0.00 C ATOM 0 H ALA A 107 4.406 -15.238 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 107 4.294 -16.859 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.521 -15.829 -10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.302 -14.602 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.486 -15.133 -8.764 1.00 0.00 H new ATOM 1691 N LYS A 108 5.966 -17.819 -7.375 1.00 0.00 N ATOM 1692 CA LYS A 108 6.694 -18.903 -6.693 1.00 0.00 C ATOM 1693 C LYS A 108 6.145 -19.006 -5.269 1.00 0.00 C ATOM 1694 O LYS A 108 5.822 -17.987 -4.657 1.00 0.00 O ATOM 1695 CB LYS A 108 8.224 -18.610 -6.640 1.00 0.00 C ATOM 1696 CG LYS A 108 8.932 -18.533 -8.016 1.00 0.00 C ATOM 1697 CD LYS A 108 10.338 -17.910 -7.934 1.00 0.00 C ATOM 1698 CE LYS A 108 10.931 -17.579 -9.315 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.171 -16.777 -9.181 1.00 0.00 N ATOM 0 H LYS A 108 5.678 -17.074 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 108 6.554 -19.836 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.378 -17.666 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.705 -19.386 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.009 -19.536 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.320 -17.947 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.291 -16.999 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.004 -18.598 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.147 -18.502 -9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.200 -17.029 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.552 -16.566 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.957 -15.887 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.875 -17.315 -8.636 1.00 0.00 H new ATOM 1713 N ALA A 109 6.042 -20.226 -4.746 1.00 0.00 N ATOM 1714 CA ALA A 109 5.567 -20.480 -3.381 1.00 0.00 C ATOM 1715 C ALA A 109 6.454 -21.533 -2.744 1.00 0.00 C ATOM 1716 O ALA A 109 6.707 -22.576 -3.339 1.00 0.00 O ATOM 1717 CB ALA A 109 4.113 -20.948 -3.411 1.00 0.00 C ATOM 0 H ALA A 109 6.286 -21.074 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 109 5.615 -19.563 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.770 -21.134 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.492 -20.178 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.038 -21.867 -3.993 1.00 0.00 H new ATOM 1723 N TRP A 110 6.922 -21.261 -1.532 1.00 0.00 N ATOM 1724 CA TRP A 110 7.854 -22.132 -0.806 1.00 0.00 C ATOM 1725 C TRP A 110 7.345 -22.232 0.638 1.00 0.00 C ATOM 1726 O TRP A 110 6.663 -21.317 1.112 1.00 0.00 O ATOM 1727 CB TRP A 110 9.319 -21.547 -0.845 1.00 0.00 C ATOM 1728 CG TRP A 110 9.714 -20.828 -2.139 1.00 0.00 C ATOM 1729 CD1 TRP A 110 9.713 -21.343 -3.396 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.175 -19.467 -2.284 1.00 0.00 C ATOM 1731 NE1 TRP A 110 10.114 -20.403 -4.306 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.410 -19.245 -3.648 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.400 -18.421 -1.397 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 10.861 -18.022 -4.141 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.855 -17.210 -1.881 1.00 0.00 C ATOM 1736 CH2 TRP A 110 11.079 -17.016 -3.243 1.00 0.00 C ATOM 0 H TRP A 110 6.665 -20.420 -1.015 1.00 0.00 H new ATOM 0 HA TRP A 110 7.896 -23.118 -1.269 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.434 -20.851 -0.015 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.021 -22.364 -0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.434 -22.356 -3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.181 -20.545 -5.314 1.00 0.00 H new ATOM 0 HE3 TRP A 110 10.221 -18.554 -0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.032 -17.875 -5.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 11.040 -16.399 -1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.430 -16.057 -3.593 1.00 0.00 H new ATOM 1747 N PHE A 111 7.643 -23.331 1.337 1.00 0.00 N ATOM 1748 CA PHE A 111 7.334 -23.442 2.773 1.00 0.00 C ATOM 1749 C PHE A 111 8.451 -24.204 3.479 1.00 0.00 C ATOM 1750 O PHE A 111 9.052 -25.128 2.908 1.00 0.00 O ATOM 1751 CB PHE A 111 5.934 -24.087 3.021 1.00 0.00 C ATOM 1752 CG PHE A 111 5.834 -25.601 2.802 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.534 -26.140 1.552 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.026 -26.488 3.867 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.434 -27.510 1.378 1.00 0.00 C ATOM 1756 CE2 PHE A 111 5.929 -27.847 3.693 1.00 0.00 C ATOM 1757 CZ PHE A 111 5.629 -28.362 2.448 1.00 0.00 C ATOM 0 H PHE A 111 8.095 -24.154 0.939 1.00 0.00 H new ATOM 0 HA PHE A 111 7.280 -22.439 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.634 -23.869 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.212 -23.598 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.378 -25.482 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.255 -26.096 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.203 -27.914 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.087 -28.512 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.547 -29.430 2.310 1.00 0.00 H new ATOM 1767 N LYS A 112 8.732 -23.800 4.722 1.00 0.00 N ATOM 1768 CA LYS A 112 9.751 -24.418 5.570 1.00 0.00 C ATOM 1769 C LYS A 112 9.129 -24.703 6.941 1.00 0.00 C ATOM 1770 O LYS A 112 8.629 -23.783 7.597 1.00 0.00 O ATOM 1771 CB LYS A 112 10.989 -23.488 5.703 1.00 0.00 C ATOM 1772 CG LYS A 112 11.677 -23.146 4.363 1.00 0.00 C ATOM 1773 CD LYS A 112 12.880 -22.192 4.528 1.00 0.00 C ATOM 1774 CE LYS A 112 13.555 -21.852 3.183 1.00 0.00 C ATOM 1775 NZ LYS A 112 14.050 -23.065 2.479 1.00 0.00 N ATOM 0 H LYS A 112 8.249 -23.022 5.172 1.00 0.00 H new ATOM 0 HA LYS A 112 10.093 -25.351 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.681 -22.561 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.717 -23.964 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.014 -24.068 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.948 -22.690 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.546 -21.271 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.613 -22.649 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.844 -21.328 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.388 -21.171 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.598 -22.781 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.657 -23.615 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.242 -23.648 2.182 1.00 0.00 H new ATOM 1789 N ILE A 113 9.180 -25.972 7.369 1.00 0.00 N ATOM 1790 CA ILE A 113 8.530 -26.430 8.603 1.00 0.00 C ATOM 1791 C ILE A 113 9.495 -26.246 9.780 1.00 0.00 C ATOM 1792 O ILE A 113 10.651 -26.685 9.720 1.00 0.00 O ATOM 1793 CB ILE A 113 8.090 -27.940 8.491 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.975 -28.103 7.408 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.607 -28.513 9.862 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.653 -29.543 7.045 1.00 0.00 C ATOM 0 H ILE A 113 9.674 -26.710 6.868 1.00 0.00 H new ATOM 0 HA ILE A 113 7.632 -25.835 8.766 1.00 0.00 H new ATOM 0 HB ILE A 113 8.966 -28.514 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.066 -27.620 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.283 -27.575 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.314 -29.555 9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.417 -28.448 10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.753 -27.936 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.869 -29.561 6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.547 -30.028 6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.311 -30.074 7.933 1.00 0.00 H new ATOM 1808 N GLY A 114 8.999 -25.568 10.820 1.00 0.00 N ATOM 1809 CA GLY A 114 9.763 -25.329 12.051 1.00 0.00 C ATOM 1810 C GLY A 114 10.121 -26.619 12.780 1.00 0.00 C ATOM 1811 O GLY A 114 11.250 -27.106 12.672 1.00 0.00 O ATOM 0 H GLY A 114 8.060 -25.170 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.677 -24.788 11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.182 -24.690 12.716 1.00 0.00 H new ATOM 1815 N GLU A 115 9.144 -27.174 13.508 1.00 0.00 N ATOM 1816 CA GLU A 115 9.281 -28.478 14.183 1.00 0.00 C ATOM 1817 C GLU A 115 7.873 -29.055 14.461 1.00 0.00 C ATOM 1818 O GLU A 115 6.879 -28.312 14.387 1.00 0.00 O ATOM 1819 CB GLU A 115 10.089 -28.330 15.518 1.00 0.00 C ATOM 1820 CG GLU A 115 9.274 -27.755 16.689 1.00 0.00 C ATOM 1821 CD GLU A 115 10.082 -27.536 17.978 1.00 0.00 C ATOM 1822 OE1 GLU A 115 11.156 -26.898 17.918 1.00 0.00 O ATOM 1823 OE2 GLU A 115 9.640 -27.982 19.064 1.00 0.00 O ATOM 0 H GLU A 115 8.234 -26.734 13.648 1.00 0.00 H new ATOM 0 HA GLU A 115 9.831 -29.161 13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.476 -29.308 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.950 -27.686 15.339 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.840 -26.804 16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.445 -28.429 16.904 1.00 0.00 H new ATOM 1830 N PRO A 116 7.756 -30.383 14.785 1.00 0.00 N ATOM 1831 CA PRO A 116 6.497 -30.967 15.293 1.00 0.00 C ATOM 1832 C PRO A 116 6.184 -30.533 16.747 1.00 0.00 C ATOM 1833 O PRO A 116 6.957 -30.809 17.678 1.00 0.00 O ATOM 1834 CB PRO A 116 6.749 -32.485 15.164 1.00 0.00 C ATOM 1835 CG PRO A 116 8.225 -32.638 15.324 1.00 0.00 C ATOM 1836 CD PRO A 116 8.817 -31.431 14.633 1.00 0.00 C ATOM 0 HA PRO A 116 5.618 -30.634 14.741 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.208 -33.043 15.928 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.414 -32.861 14.197 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.507 -32.669 16.376 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.578 -33.565 14.872 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.754 -31.123 15.097 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.032 -31.635 13.584 1.00 0.00 H new ATOM 1844 N ARG A 117 5.049 -29.825 16.924 1.00 0.00 N ATOM 1845 CA ARG A 117 4.560 -29.407 18.256 1.00 0.00 C ATOM 1846 C ARG A 117 3.422 -30.354 18.658 1.00 0.00 C ATOM 1847 O ARG A 117 2.641 -30.808 17.807 1.00 0.00 O ATOM 1848 CB ARG A 117 4.031 -27.930 18.281 1.00 0.00 C ATOM 1849 CG ARG A 117 4.905 -26.889 17.548 1.00 0.00 C ATOM 1850 CD ARG A 117 6.190 -26.503 18.298 1.00 0.00 C ATOM 1851 NE ARG A 117 7.012 -25.602 17.474 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.801 -24.612 17.911 1.00 0.00 C ATOM 1853 NH1 ARG A 117 7.936 -24.348 19.205 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.481 -23.902 17.021 1.00 0.00 N ATOM 0 H ARG A 117 4.449 -29.528 16.154 1.00 0.00 H new ATOM 0 HA ARG A 117 5.397 -29.453 18.952 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.034 -27.914 17.840 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.925 -27.620 19.321 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.174 -27.283 16.568 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.313 -25.990 17.378 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.937 -26.016 19.240 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.758 -27.400 18.545 1.00 0.00 H new ATOM 0 HE ARG A 117 6.977 -25.747 16.465 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.432 -24.905 19.895 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.544 -23.588 19.510 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.397 -24.115 16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.088 -23.143 17.330 1.00 0.00 H new ATOM 1868 N ILE A 118 3.349 -30.661 19.948 1.00 0.00 N ATOM 1869 CA ILE A 118 2.255 -31.446 20.543 1.00 0.00 C ATOM 1870 C ILE A 118 1.633 -30.583 21.653 1.00 0.00 C ATOM 1871 O ILE A 118 2.324 -29.725 22.206 1.00 0.00 O ATOM 1872 CB ILE A 118 2.798 -32.832 21.095 1.00 0.00 C ATOM 1873 CG1 ILE A 118 3.458 -33.661 19.947 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.687 -33.663 21.777 1.00 0.00 C ATOM 1875 CD1 ILE A 118 2.510 -34.029 18.815 1.00 0.00 C ATOM 0 H ILE A 118 4.054 -30.371 20.626 1.00 0.00 H new ATOM 0 HA ILE A 118 1.496 -31.693 19.801 1.00 0.00 H new ATOM 0 HB ILE A 118 3.550 -32.602 21.850 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.292 -33.091 19.536 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.874 -34.576 20.369 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.105 -34.602 22.139 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.276 -33.102 22.616 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.895 -33.872 21.058 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.049 -34.603 18.061 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.689 -34.628 19.208 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.112 -33.120 18.363 1.00 0.00 H new ATOM 1887 N VAL A 119 0.332 -30.786 21.954 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.388 -29.991 22.993 1.00 0.00 C ATOM 1889 C VAL A 119 0.282 -30.139 24.384 1.00 0.00 C ATOM 1890 O VAL A 119 0.211 -29.230 25.216 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.926 -30.362 23.069 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.674 -29.539 24.157 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -2.607 -30.179 21.691 1.00 0.00 C ATOM 0 H VAL A 119 -0.247 -31.491 21.497 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.319 -28.946 22.691 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.986 -31.412 23.354 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.725 -29.827 24.173 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.229 -29.736 25.132 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.593 -28.476 23.929 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.662 -30.440 21.769 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.513 -29.141 21.374 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.126 -30.827 20.959 1.00 0.00 H new ATOM 1903 N SER A 120 0.963 -31.280 24.603 1.00 0.00 N ATOM 1904 CA SER A 120 1.778 -31.521 25.810 1.00 0.00 C ATOM 1905 C SER A 120 2.970 -30.531 25.874 1.00 0.00 C ATOM 1906 O SER A 120 3.290 -29.986 26.936 1.00 0.00 O ATOM 1907 CB SER A 120 2.284 -32.983 25.806 1.00 0.00 C ATOM 1908 OG SER A 120 3.098 -33.253 24.674 1.00 0.00 O ATOM 0 H SER A 120 0.964 -32.062 23.948 1.00 0.00 H new ATOM 0 HA SER A 120 1.161 -31.358 26.694 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.852 -33.174 26.717 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.432 -33.663 25.813 1.00 0.00 H new ATOM 0 HG SER A 120 3.402 -34.184 24.704 1.00 0.00 H new ATOM 1914 N GLN A 121 3.596 -30.296 24.702 1.00 0.00 N ATOM 1915 CA GLN A 121 4.792 -29.436 24.549 1.00 0.00 C ATOM 1916 C GLN A 121 4.418 -28.001 24.096 1.00 0.00 C ATOM 1917 O GLN A 121 5.303 -27.173 23.847 1.00 0.00 O ATOM 1918 CB GLN A 121 5.746 -30.075 23.513 1.00 0.00 C ATOM 1919 CG GLN A 121 6.154 -31.526 23.825 1.00 0.00 C ATOM 1920 CD GLN A 121 7.120 -32.094 22.789 1.00 0.00 C ATOM 1921 OE1 GLN A 121 8.338 -32.003 22.940 1.00 0.00 O ATOM 1922 NE2 GLN A 121 6.588 -32.654 21.715 1.00 0.00 N ATOM 0 H GLN A 121 3.282 -30.704 23.821 1.00 0.00 H new ATOM 0 HA GLN A 121 5.281 -29.359 25.520 1.00 0.00 H new ATOM 0 HB2 GLN A 121 5.268 -30.049 22.534 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.647 -29.465 23.444 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.618 -31.566 24.811 1.00 0.00 H new ATOM 0 HG3 GLN A 121 5.262 -32.151 23.867 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.574 -32.714 21.620 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.192 -33.026 20.982 1.00 0.00 H new ATOM 1931 N LYS A 122 3.108 -27.731 23.973 1.00 0.00 N ATOM 1932 CA LYS A 122 2.573 -26.401 23.615 1.00 0.00 C ATOM 1933 C LYS A 122 1.441 -26.063 24.608 1.00 0.00 C ATOM 1934 O LYS A 122 1.329 -26.710 25.658 1.00 0.00 O ATOM 1935 CB LYS A 122 2.065 -26.390 22.123 1.00 0.00 C ATOM 1936 CG LYS A 122 2.200 -25.019 21.408 1.00 0.00 C ATOM 1937 CD LYS A 122 1.371 -24.896 20.096 1.00 0.00 C ATOM 1938 CE LYS A 122 -0.103 -24.489 20.334 1.00 0.00 C ATOM 1939 NZ LYS A 122 -0.885 -25.504 21.089 1.00 0.00 N ATOM 0 H LYS A 122 2.383 -28.433 24.120 1.00 0.00 H new ATOM 0 HA LYS A 122 3.353 -25.643 23.683 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.622 -27.137 21.557 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.018 -26.693 22.107 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.889 -24.232 22.095 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.251 -24.845 21.178 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.843 -24.160 19.445 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.396 -25.850 19.569 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.127 -23.545 20.878 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.583 -24.315 19.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.888 -25.437 20.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.529 -26.455 20.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.785 -25.331 22.110 1.00 0.00 H new ATOM 1953 N SER A 123 0.639 -25.029 24.304 1.00 0.00 N ATOM 1954 CA SER A 123 -0.578 -24.710 25.066 1.00 0.00 C ATOM 1955 C SER A 123 -1.570 -23.972 24.129 1.00 0.00 C ATOM 1956 O SER A 123 -1.588 -22.723 24.104 1.00 0.00 O ATOM 1957 CB SER A 123 -0.219 -23.877 26.329 1.00 0.00 C ATOM 1958 OG SER A 123 -1.345 -23.699 27.176 1.00 0.00 O ATOM 1959 OXT SER A 123 -2.299 -24.655 23.381 1.00 0.00 O ATOM 0 H SER A 123 0.816 -24.393 23.526 1.00 0.00 H new ATOM 0 HA SER A 123 -1.058 -25.622 25.421 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.577 -24.377 26.881 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.166 -22.904 26.026 1.00 0.00 H new ATOM 0 HG SER A 123 -1.084 -23.173 27.961 1.00 0.00 H new TER 1965 SER A 123