USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 888 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 78 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 82 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.5!) USER MOD Set 2.1: A 47 MET CE :methyl -137:sc= -1.78 (180deg=-3.66!) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -167:sc= -0.114 (180deg=0) USER MOD Set 2.3: A 61 TYR OH : rot 30:sc= -0.652 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.0547 K(o=0.055,f=-0.72) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 6 CYS SG : rot -140:sc= 0.201 USER MOD Single : A 7 ASN : amide:sc=-0.00646 X(o=-0.0065,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0292 (180deg=-0.403) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0512 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-5.25e-05) USER MOD Single : A 18 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-0.68) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.178 USER MOD Single : A 26 TYR OH : rot 120:sc= -0.0851 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc=-0.00477 X(o=-0.0048,f=-0.0032) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.262 F(o=-0.93,f=-0.26) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.297 (180deg=-1.09) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 83:sc= 0.294 USER MOD Single : A 51 THR OG1 : rot 120:sc= 0.83 USER MOD Single : A 53 LYS NZ :NH3+ -135:sc=-0.00794 (180deg=-0.914) USER MOD Single : A 56 MET CE :methyl 152:sc= -2.65! (180deg=-6.25!) USER MOD Single : A 58 ASN : amide:sc= 0.0748 X(o=0.075,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.197 K(o=-0.2,f=-5!) USER MOD Single : A 74 MET CE :methyl -168:sc= -2.75 (180deg=-3.56!) USER MOD Single : A 76 SER OG : rot -80:sc= 0.155 USER MOD Single : A 77 ASN : amide:sc= -4.96! C(o=-5!,f=-11!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= -0.943 (180deg=-3.33!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc=-0.00531 X(o=-0.0053,f=-0.14) USER MOD Single : A 91 MET CE :methyl -165:sc= -1.47 (180deg=-2.56!) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00504) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 160:sc= -0.0174 (180deg=-0.847) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.034 12.445 -1.940 1.00 0.00 N ATOM 2 CA GLU A 1 -15.709 11.056 -2.363 1.00 0.00 C ATOM 3 C GLU A 1 -14.491 10.520 -1.613 1.00 0.00 C ATOM 4 O GLU A 1 -13.407 11.103 -1.678 1.00 0.00 O ATOM 5 CB GLU A 1 -15.441 11.049 -3.874 1.00 0.00 C ATOM 6 CG GLU A 1 -15.290 9.653 -4.465 1.00 0.00 C ATOM 7 CD GLU A 1 -16.532 9.193 -5.204 1.00 0.00 C ATOM 8 OE1 GLU A 1 -16.693 9.566 -6.384 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.343 8.460 -4.600 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.865 12.783 -2.466 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.240 12.458 -0.921 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.224 13.066 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.554 10.408 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -16.259 11.562 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.534 11.619 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.441 9.642 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.065 8.947 -3.666 1.00 0.00 H new ATOM 18 N GLN A 2 -14.676 9.404 -0.907 1.00 0.00 N ATOM 19 CA GLN A 2 -13.587 8.785 -0.151 1.00 0.00 C ATOM 20 C GLN A 2 -12.469 8.321 -1.087 1.00 0.00 C ATOM 21 O GLN A 2 -11.291 8.382 -0.732 1.00 0.00 O ATOM 22 CB GLN A 2 -14.104 7.603 0.674 1.00 0.00 C ATOM 23 CG GLN A 2 -14.525 7.982 2.085 1.00 0.00 C ATOM 24 CD GLN A 2 -13.352 8.056 3.047 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.507 7.161 3.081 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.291 9.126 3.833 1.00 0.00 N ATOM 0 H GLN A 2 -15.567 8.911 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.183 9.536 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.954 7.155 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.326 6.841 0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.032 8.947 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.246 7.252 2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.012 9.845 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.523 9.228 4.496 1.00 0.00 H new ATOM 35 N LEU A 3 -12.844 7.866 -2.288 1.00 0.00 N ATOM 36 CA LEU A 3 -11.871 7.401 -3.279 1.00 0.00 C ATOM 37 C LEU A 3 -10.843 8.493 -3.594 1.00 0.00 C ATOM 38 O LEU A 3 -9.669 8.199 -3.822 1.00 0.00 O ATOM 39 CB LEU A 3 -12.582 6.963 -4.566 1.00 0.00 C ATOM 40 CG LEU A 3 -12.682 5.447 -4.773 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.675 5.123 -5.881 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.313 4.860 -5.092 1.00 0.00 C ATOM 0 H LEU A 3 -13.815 7.810 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.346 6.545 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.589 7.381 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.057 7.396 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.042 4.997 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.733 4.043 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.659 5.509 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.346 5.586 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.403 3.783 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.925 5.316 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.630 5.060 -4.266 1.00 0.00 H new ATOM 54 N LYS A 4 -11.290 9.753 -3.593 1.00 0.00 N ATOM 55 CA LYS A 4 -10.405 10.887 -3.866 1.00 0.00 C ATOM 56 C LYS A 4 -9.276 10.954 -2.837 1.00 0.00 C ATOM 57 O LYS A 4 -8.116 11.169 -3.191 1.00 0.00 O ATOM 58 CB LYS A 4 -11.202 12.198 -3.861 1.00 0.00 C ATOM 59 CG LYS A 4 -10.387 13.417 -4.274 1.00 0.00 C ATOM 60 CD LYS A 4 -11.029 14.712 -3.794 1.00 0.00 C ATOM 61 CE LYS A 4 -11.963 15.299 -4.843 1.00 0.00 C ATOM 62 NZ LYS A 4 -13.393 15.220 -4.430 1.00 0.00 N ATOM 0 H LYS A 4 -12.259 10.012 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.964 10.745 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.053 12.097 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.604 12.364 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.380 13.337 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.290 13.439 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.585 14.524 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.251 15.436 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.696 16.340 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.829 14.767 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.992 15.631 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.657 14.225 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.528 15.749 -3.545 1.00 0.00 H new ATOM 76 N HIS A 5 -9.625 10.761 -1.562 1.00 0.00 N ATOM 77 CA HIS A 5 -8.644 10.792 -0.475 1.00 0.00 C ATOM 78 C HIS A 5 -7.597 9.694 -0.649 1.00 0.00 C ATOM 79 O HIS A 5 -6.406 9.924 -0.435 1.00 0.00 O ATOM 80 CB HIS A 5 -9.341 10.635 0.879 1.00 0.00 C ATOM 81 CG HIS A 5 -9.794 11.932 1.476 1.00 0.00 C ATOM 82 ND1 HIS A 5 -9.291 12.435 2.658 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.710 12.833 1.046 1.00 0.00 C ATOM 84 CE1 HIS A 5 -9.878 13.587 2.929 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.743 13.851 1.968 1.00 0.00 N ATOM 0 H HIS A 5 -10.582 10.581 -1.257 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.140 11.758 -0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.203 9.979 0.760 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.660 10.143 1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.303 12.764 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.683 14.208 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.339 14.677 1.918 1.00 0.00 H new ATOM 94 N CYS A 6 -8.048 8.500 -1.041 1.00 0.00 N ATOM 95 CA CYS A 6 -7.146 7.367 -1.248 1.00 0.00 C ATOM 96 C CYS A 6 -6.101 7.690 -2.314 1.00 0.00 C ATOM 97 O CYS A 6 -4.925 7.356 -2.161 1.00 0.00 O ATOM 98 CB CYS A 6 -7.933 6.119 -1.655 1.00 0.00 C ATOM 99 SG CYS A 6 -7.121 4.563 -1.221 1.00 0.00 S ATOM 0 H CYS A 6 -9.031 8.294 -1.221 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.634 7.172 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.914 6.150 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.099 6.142 -2.732 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.282 3.706 -2.185 1.00 0.00 H new ATOM 105 N ASN A 7 -6.538 8.349 -3.391 1.00 0.00 N ATOM 106 CA ASN A 7 -5.640 8.726 -4.482 1.00 0.00 C ATOM 107 C ASN A 7 -4.531 9.655 -3.986 1.00 0.00 C ATOM 108 O ASN A 7 -3.399 9.593 -4.469 1.00 0.00 O ATOM 109 CB ASN A 7 -6.423 9.403 -5.610 1.00 0.00 C ATOM 110 CG ASN A 7 -6.855 8.421 -6.682 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.047 7.990 -7.505 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.134 8.061 -6.681 1.00 0.00 N ATOM 0 H ASN A 7 -7.508 8.632 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.180 7.815 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.303 9.894 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.807 10.181 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.479 7.404 -7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.770 8.442 -5.981 1.00 0.00 H new ATOM 119 N VAL A 8 -4.863 10.512 -3.018 1.00 0.00 N ATOM 120 CA VAL A 8 -3.895 11.450 -2.455 1.00 0.00 C ATOM 121 C VAL A 8 -2.735 10.709 -1.787 1.00 0.00 C ATOM 122 O VAL A 8 -1.570 11.062 -1.981 1.00 0.00 O ATOM 123 CB VAL A 8 -4.549 12.400 -1.424 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.579 13.498 -1.014 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.837 13.000 -1.978 1.00 0.00 C ATOM 0 H VAL A 8 -5.795 10.574 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.516 12.044 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.800 11.816 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.059 14.155 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.691 13.051 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.291 14.076 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.278 13.664 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.615 13.565 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.540 12.200 -2.212 1.00 0.00 H new ATOM 135 N ILE A 9 -3.060 9.679 -1.005 1.00 0.00 N ATOM 136 CA ILE A 9 -2.043 8.888 -0.314 1.00 0.00 C ATOM 137 C ILE A 9 -1.146 8.153 -1.312 1.00 0.00 C ATOM 138 O ILE A 9 0.070 8.079 -1.124 1.00 0.00 O ATOM 139 CB ILE A 9 -2.677 7.862 0.654 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.667 8.550 1.601 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.595 7.141 1.448 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.647 7.596 2.249 1.00 0.00 C ATOM 0 H ILE A 9 -4.018 9.374 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.440 9.588 0.265 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.223 7.126 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.110 9.070 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.222 9.307 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.058 6.423 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.929 6.617 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.023 7.867 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.316 8.152 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.230 7.094 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.101 6.854 2.832 1.00 0.00 H new ATOM 154 N LEU A 10 -1.751 7.618 -2.376 1.00 0.00 N ATOM 155 CA LEU A 10 -1.000 6.896 -3.405 1.00 0.00 C ATOM 156 C LEU A 10 0.061 7.796 -4.037 1.00 0.00 C ATOM 157 O LEU A 10 1.179 7.352 -4.307 1.00 0.00 O ATOM 158 CB LEU A 10 -1.943 6.367 -4.488 1.00 0.00 C ATOM 159 CG LEU A 10 -1.564 5.001 -5.072 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.333 3.884 -4.378 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.815 4.974 -6.575 1.00 0.00 C ATOM 0 H LEU A 10 -2.755 7.671 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.502 6.053 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.948 6.300 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.982 7.093 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.500 4.839 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.048 2.924 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.099 3.888 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.403 4.040 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.540 3.997 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.871 5.162 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.214 5.744 -7.058 1.00 0.00 H new ATOM 173 N LYS A 11 -0.296 9.063 -4.267 1.00 0.00 N ATOM 174 CA LYS A 11 0.622 10.029 -4.858 1.00 0.00 C ATOM 175 C LYS A 11 1.876 10.184 -3.999 1.00 0.00 C ATOM 176 O LYS A 11 2.984 10.279 -4.523 1.00 0.00 O ATOM 177 CB LYS A 11 -0.070 11.383 -5.026 1.00 0.00 C ATOM 178 CG LYS A 11 -1.206 11.370 -6.038 1.00 0.00 C ATOM 179 CD LYS A 11 -0.890 12.235 -7.252 1.00 0.00 C ATOM 180 CE LYS A 11 -2.113 13.007 -7.734 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.326 12.143 -7.830 1.00 0.00 N ATOM 0 H LYS A 11 -1.219 9.440 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 11 0.921 9.659 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.460 11.704 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.669 12.123 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.395 10.346 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.120 11.728 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.094 12.936 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.517 11.605 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.311 13.833 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.903 13.444 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.001 12.565 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.053 11.197 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.771 12.064 -6.893 1.00 0.00 H new ATOM 195 N GLU A 12 1.693 10.198 -2.676 1.00 0.00 N ATOM 196 CA GLU A 12 2.814 10.328 -1.746 1.00 0.00 C ATOM 197 C GLU A 12 3.717 9.094 -1.802 1.00 0.00 C ATOM 198 O GLU A 12 4.940 9.207 -1.701 1.00 0.00 O ATOM 199 CB GLU A 12 2.303 10.531 -0.316 1.00 0.00 C ATOM 200 CG GLU A 12 3.127 11.521 0.493 1.00 0.00 C ATOM 201 CD GLU A 12 2.496 12.900 0.549 1.00 0.00 C ATOM 202 OE1 GLU A 12 1.440 13.045 1.203 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.058 13.834 -0.061 1.00 0.00 O ATOM 0 H GLU A 12 0.780 10.121 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 12 3.397 11.200 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.270 10.877 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.298 9.570 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.251 11.141 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.123 11.599 0.058 1.00 0.00 H new ATOM 210 N LEU A 13 3.105 7.916 -1.960 1.00 0.00 N ATOM 211 CA LEU A 13 3.852 6.659 -2.028 1.00 0.00 C ATOM 212 C LEU A 13 4.784 6.630 -3.245 1.00 0.00 C ATOM 213 O LEU A 13 5.930 6.190 -3.144 1.00 0.00 O ATOM 214 CB LEU A 13 2.889 5.465 -2.076 1.00 0.00 C ATOM 215 CG LEU A 13 2.052 5.244 -0.810 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.052 4.115 -1.019 1.00 0.00 C ATOM 217 CD2 LEU A 13 2.951 4.946 0.384 1.00 0.00 C ATOM 0 H LEU A 13 2.094 7.808 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 13 4.464 6.588 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.212 5.599 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.467 4.562 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 13 1.499 6.160 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.468 3.974 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.385 4.368 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.586 3.194 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.338 4.792 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.534 4.046 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.626 5.786 0.550 1.00 0.00 H new ATOM 229 N LEU A 14 4.287 7.100 -4.391 1.00 0.00 N ATOM 230 CA LEU A 14 5.076 7.128 -5.627 1.00 0.00 C ATOM 231 C LEU A 14 5.801 8.470 -5.820 1.00 0.00 C ATOM 232 O LEU A 14 6.598 8.613 -6.747 1.00 0.00 O ATOM 233 CB LEU A 14 4.171 6.854 -6.835 1.00 0.00 C ATOM 234 CG LEU A 14 4.896 6.443 -8.123 1.00 0.00 C ATOM 235 CD1 LEU A 14 4.098 5.387 -8.870 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.141 7.654 -9.015 1.00 0.00 C ATOM 0 H LEU A 14 3.341 7.467 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 14 5.834 6.349 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.467 6.066 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.585 7.750 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 14 5.862 6.019 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.627 5.108 -9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.976 4.508 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.118 5.787 -9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.656 7.339 -9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.187 8.110 -9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.755 8.380 -8.482 1.00 0.00 H new ATOM 248 N SER A 15 5.513 9.449 -4.955 1.00 0.00 N ATOM 249 CA SER A 15 6.130 10.775 -5.049 1.00 0.00 C ATOM 250 C SER A 15 7.663 10.693 -5.048 1.00 0.00 C ATOM 251 O SER A 15 8.281 10.585 -6.108 1.00 0.00 O ATOM 252 CB SER A 15 5.630 11.673 -3.907 1.00 0.00 C ATOM 253 OG SER A 15 6.402 12.860 -3.800 1.00 0.00 O ATOM 0 H SER A 15 4.856 9.347 -4.182 1.00 0.00 H new ATOM 0 HA SER A 15 5.833 11.215 -6.001 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.585 11.932 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.673 11.124 -2.966 1.00 0.00 H new ATOM 0 HG SER A 15 6.057 13.410 -3.066 1.00 0.00 H new ATOM 259 N LYS A 16 8.273 10.758 -3.860 1.00 0.00 N ATOM 260 CA LYS A 16 9.731 10.703 -3.738 1.00 0.00 C ATOM 261 C LYS A 16 10.149 10.169 -2.367 1.00 0.00 C ATOM 262 O LYS A 16 10.925 9.217 -2.276 1.00 0.00 O ATOM 263 CB LYS A 16 10.338 12.092 -3.969 1.00 0.00 C ATOM 264 CG LYS A 16 10.106 12.633 -5.373 1.00 0.00 C ATOM 265 CD LYS A 16 11.030 13.798 -5.691 1.00 0.00 C ATOM 266 CE LYS A 16 11.336 13.873 -7.180 1.00 0.00 C ATOM 267 NZ LYS A 16 11.356 15.277 -7.680 1.00 0.00 N ATOM 0 H LYS A 16 7.780 10.849 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 16 10.107 10.020 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.915 12.789 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.410 12.047 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.263 11.836 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.069 12.954 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.568 14.730 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.959 13.690 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.301 13.406 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.589 13.303 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.568 15.280 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.427 15.716 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.087 15.816 -7.173 1.00 0.00 H new ATOM 281 N LYS A 17 9.622 10.782 -1.303 1.00 0.00 N ATOM 282 CA LYS A 17 9.931 10.363 0.066 1.00 0.00 C ATOM 283 C LYS A 17 9.638 8.873 0.263 1.00 0.00 C ATOM 284 O LYS A 17 10.376 8.174 0.961 1.00 0.00 O ATOM 285 CB LYS A 17 9.123 11.192 1.069 1.00 0.00 C ATOM 286 CG LYS A 17 9.448 10.893 2.524 1.00 0.00 C ATOM 287 CD LYS A 17 8.532 11.665 3.460 1.00 0.00 C ATOM 288 CE LYS A 17 8.442 11.014 4.833 1.00 0.00 C ATOM 289 NZ LYS A 17 9.757 10.990 5.535 1.00 0.00 N ATOM 0 H LYS A 17 8.979 11.571 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 17 10.994 10.530 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.302 12.250 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.061 11.013 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.346 9.824 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.486 11.154 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.899 12.686 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.536 11.728 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.717 11.554 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.071 9.995 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.643 10.553 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.439 10.438 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.108 11.962 5.647 1.00 0.00 H new ATOM 303 N HIS A 18 8.558 8.396 -0.358 1.00 0.00 N ATOM 304 CA HIS A 18 8.163 6.992 -0.260 1.00 0.00 C ATOM 305 C HIS A 18 8.610 6.191 -1.488 1.00 0.00 C ATOM 306 O HIS A 18 8.574 4.959 -1.470 1.00 0.00 O ATOM 307 CB HIS A 18 6.648 6.879 -0.092 1.00 0.00 C ATOM 308 CG HIS A 18 6.150 7.426 1.209 1.00 0.00 C ATOM 309 ND1 HIS A 18 5.680 6.627 2.228 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.057 8.700 1.657 1.00 0.00 C ATOM 311 CE1 HIS A 18 5.317 7.384 3.247 1.00 0.00 C ATOM 312 NE2 HIS A 18 5.537 8.646 2.926 1.00 0.00 N ATOM 0 H HIS A 18 7.940 8.965 -0.936 1.00 0.00 H new ATOM 0 HA HIS A 18 8.659 6.572 0.615 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.159 7.407 -0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.359 5.831 -0.171 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.339 9.592 1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.910 7.031 4.183 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.351 9.451 3.525 1.00 0.00 H new ATOM 321 N ALA A 19 9.030 6.888 -2.552 1.00 0.00 N ATOM 322 CA ALA A 19 9.481 6.227 -3.779 1.00 0.00 C ATOM 323 C ALA A 19 10.569 5.193 -3.490 1.00 0.00 C ATOM 324 O ALA A 19 10.585 4.125 -4.099 1.00 0.00 O ATOM 325 CB ALA A 19 9.990 7.248 -4.786 1.00 0.00 C ATOM 0 H ALA A 19 9.066 7.907 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 19 8.622 5.708 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.320 6.735 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.189 7.944 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.827 7.798 -4.355 1.00 0.00 H new ATOM 331 N ALA A 20 11.469 5.514 -2.552 1.00 0.00 N ATOM 332 CA ALA A 20 12.554 4.602 -2.177 1.00 0.00 C ATOM 333 C ALA A 20 12.010 3.222 -1.798 1.00 0.00 C ATOM 334 O ALA A 20 12.646 2.202 -2.063 1.00 0.00 O ATOM 335 CB ALA A 20 13.365 5.180 -1.025 1.00 0.00 C ATOM 0 H ALA A 20 11.466 6.397 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 20 13.205 4.486 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.165 4.489 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.795 6.135 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.716 5.330 -0.162 1.00 0.00 H new ATOM 341 N TYR A 21 10.830 3.207 -1.180 1.00 0.00 N ATOM 342 CA TYR A 21 10.183 1.963 -0.766 1.00 0.00 C ATOM 343 C TYR A 21 9.089 1.543 -1.760 1.00 0.00 C ATOM 344 O TYR A 21 8.494 0.473 -1.618 1.00 0.00 O ATOM 345 CB TYR A 21 9.566 2.116 0.631 1.00 0.00 C ATOM 346 CG TYR A 21 10.359 2.996 1.578 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.267 4.382 1.515 1.00 0.00 C ATOM 348 CD2 TYR A 21 11.191 2.438 2.537 1.00 0.00 C ATOM 349 CE1 TYR A 21 10.986 5.184 2.380 1.00 0.00 C ATOM 350 CE2 TYR A 21 11.911 3.232 3.407 1.00 0.00 C ATOM 351 CZ TYR A 21 11.805 4.604 3.324 1.00 0.00 C ATOM 352 OH TYR A 21 12.522 5.399 4.189 1.00 0.00 O ATOM 0 H TYR A 21 10.300 4.048 -0.954 1.00 0.00 H new ATOM 0 HA TYR A 21 10.950 1.189 -0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.562 2.528 0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.460 1.127 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.623 4.839 0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.277 1.364 2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.907 6.259 2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.554 2.781 4.148 1.00 0.00 H new ATOM 0 HH TYR A 21 12.032 6.232 4.350 1.00 0.00 H new ATOM 362 N ALA A 22 8.822 2.390 -2.762 1.00 0.00 N ATOM 363 CA ALA A 22 7.796 2.107 -3.762 1.00 0.00 C ATOM 364 C ALA A 22 8.302 1.164 -4.851 1.00 0.00 C ATOM 365 O ALA A 22 7.670 0.147 -5.125 1.00 0.00 O ATOM 366 CB ALA A 22 7.290 3.402 -4.384 1.00 0.00 C ATOM 0 H ALA A 22 9.306 3.278 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 22 6.974 1.607 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.526 3.174 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.863 4.036 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.119 3.923 -4.863 1.00 0.00 H new ATOM 372 N TRP A 23 9.435 1.506 -5.478 1.00 0.00 N ATOM 373 CA TRP A 23 10.000 0.676 -6.551 1.00 0.00 C ATOM 374 C TRP A 23 10.259 -0.775 -6.110 1.00 0.00 C ATOM 375 O TRP A 23 10.077 -1.695 -6.909 1.00 0.00 O ATOM 376 CB TRP A 23 11.283 1.298 -7.131 1.00 0.00 C ATOM 377 CG TRP A 23 12.397 1.474 -6.142 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.713 2.613 -5.461 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.349 0.485 -5.733 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.794 2.391 -4.646 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.204 1.092 -4.794 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.557 -0.858 -6.062 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.251 0.405 -4.186 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.597 -1.539 -5.458 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.431 -0.908 -4.528 1.00 0.00 C ATOM 0 H TRP A 23 9.975 2.344 -5.264 1.00 0.00 H new ATOM 0 HA TRP A 23 9.244 0.644 -7.335 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.637 0.670 -7.949 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.038 2.270 -7.559 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.188 3.553 -5.550 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.223 3.081 -4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.916 -1.354 -6.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.898 0.891 -3.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.769 -2.576 -5.708 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.233 -1.469 -4.071 1.00 0.00 H new ATOM 396 N PRO A 24 10.678 -1.019 -4.844 1.00 0.00 N ATOM 397 CA PRO A 24 10.939 -2.378 -4.353 1.00 0.00 C ATOM 398 C PRO A 24 9.655 -3.187 -4.194 1.00 0.00 C ATOM 399 O PRO A 24 9.594 -4.354 -4.586 1.00 0.00 O ATOM 400 CB PRO A 24 11.602 -2.167 -2.983 1.00 0.00 C ATOM 401 CG PRO A 24 11.902 -0.708 -2.896 1.00 0.00 C ATOM 402 CD PRO A 24 10.921 -0.022 -3.796 1.00 0.00 C ATOM 0 HA PRO A 24 11.559 -2.940 -5.051 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.939 -2.479 -2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.513 -2.759 -2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.804 -0.352 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.926 -0.502 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.004 0.240 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.328 0.903 -4.206 1.00 0.00 H new ATOM 410 N PHE A 25 8.629 -2.558 -3.617 1.00 0.00 N ATOM 411 CA PHE A 25 7.341 -3.217 -3.406 1.00 0.00 C ATOM 412 C PHE A 25 6.409 -3.050 -4.616 1.00 0.00 C ATOM 413 O PHE A 25 5.278 -3.541 -4.602 1.00 0.00 O ATOM 414 CB PHE A 25 6.666 -2.671 -2.142 1.00 0.00 C ATOM 415 CG PHE A 25 7.493 -2.824 -0.890 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.156 -4.012 -0.615 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.605 -1.778 0.014 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.913 -4.150 0.533 1.00 0.00 C ATOM 419 CE2 PHE A 25 8.361 -1.911 1.162 1.00 0.00 C ATOM 420 CZ PHE A 25 9.016 -3.099 1.423 1.00 0.00 C ATOM 0 H PHE A 25 8.666 -1.593 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 25 7.534 -4.282 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.441 -1.615 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.714 -3.183 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.079 -4.838 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.094 -0.847 -0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.424 -5.080 0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.440 -1.087 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.607 -3.206 2.321 1.00 0.00 H new ATOM 430 N TYR A 26 6.883 -2.358 -5.659 1.00 0.00 N ATOM 431 CA TYR A 26 6.088 -2.135 -6.863 1.00 0.00 C ATOM 432 C TYR A 26 5.974 -3.414 -7.691 1.00 0.00 C ATOM 433 O TYR A 26 4.879 -3.796 -8.105 1.00 0.00 O ATOM 434 CB TYR A 26 6.715 -1.028 -7.715 1.00 0.00 C ATOM 435 CG TYR A 26 5.716 -0.029 -8.254 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.830 -0.379 -9.264 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.662 1.265 -7.752 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.919 0.533 -9.760 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.754 2.182 -8.242 1.00 0.00 C ATOM 440 CZ TYR A 26 3.884 1.812 -9.246 1.00 0.00 C ATOM 441 OH TYR A 26 2.977 2.722 -9.739 1.00 0.00 O ATOM 0 H TYR A 26 7.815 -1.944 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 26 5.088 -1.832 -6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.457 -0.499 -7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.246 -1.483 -8.551 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.854 -1.380 -9.668 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.341 1.558 -6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.237 0.246 -10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.725 3.184 -7.841 1.00 0.00 H new ATOM 0 HH TYR A 26 2.388 3.022 -9.015 1.00 0.00 H new ATOM 451 N LYS A 27 7.113 -4.065 -7.933 1.00 0.00 N ATOM 452 CA LYS A 27 7.143 -5.297 -8.718 1.00 0.00 C ATOM 453 C LYS A 27 6.567 -6.470 -7.925 1.00 0.00 C ATOM 454 O LYS A 27 6.934 -6.686 -6.768 1.00 0.00 O ATOM 455 CB LYS A 27 8.575 -5.616 -9.158 1.00 0.00 C ATOM 456 CG LYS A 27 8.662 -6.210 -10.555 1.00 0.00 C ATOM 457 CD LYS A 27 10.106 -6.392 -10.997 1.00 0.00 C ATOM 458 CE LYS A 27 10.658 -5.128 -11.641 1.00 0.00 C ATOM 459 NZ LYS A 27 11.884 -5.400 -12.444 1.00 0.00 N ATOM 0 H LYS A 27 8.026 -3.759 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 27 6.524 -5.145 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.170 -4.703 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.018 -6.313 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.151 -7.173 -10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.144 -5.560 -11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.719 -6.661 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.169 -7.219 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.896 -4.685 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.887 -4.397 -10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.227 -4.513 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.621 -5.799 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.660 -6.078 -13.200 1.00 0.00 H new ATOM 473 N PRO A 28 5.655 -7.246 -8.543 1.00 0.00 N ATOM 474 CA PRO A 28 5.027 -8.402 -7.897 1.00 0.00 C ATOM 475 C PRO A 28 5.932 -9.634 -7.891 1.00 0.00 C ATOM 476 O PRO A 28 7.094 -9.566 -8.300 1.00 0.00 O ATOM 477 CB PRO A 28 3.796 -8.651 -8.766 1.00 0.00 C ATOM 478 CG PRO A 28 4.200 -8.197 -10.127 1.00 0.00 C ATOM 479 CD PRO A 28 5.163 -7.056 -9.925 1.00 0.00 C ATOM 0 HA PRO A 28 4.803 -8.214 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.517 -9.705 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.934 -8.093 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.670 -9.008 -10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.332 -7.876 -10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.979 -7.089 -10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.670 -6.091 -10.044 1.00 0.00 H new ATOM 487 N VAL A 29 5.387 -10.761 -7.433 1.00 0.00 N ATOM 488 CA VAL A 29 6.136 -12.010 -7.384 1.00 0.00 C ATOM 489 C VAL A 29 5.345 -13.137 -8.043 1.00 0.00 C ATOM 490 O VAL A 29 4.602 -13.863 -7.377 1.00 0.00 O ATOM 491 CB VAL A 29 6.491 -12.410 -5.935 1.00 0.00 C ATOM 492 CG1 VAL A 29 7.437 -13.603 -5.927 1.00 0.00 C ATOM 493 CG2 VAL A 29 7.100 -11.232 -5.182 1.00 0.00 C ATOM 0 H VAL A 29 4.429 -10.831 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 29 7.065 -11.848 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 29 5.572 -12.698 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.676 -13.871 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.959 -14.449 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.354 -13.344 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.342 -11.537 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.008 -10.906 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.385 -10.409 -5.154 1.00 0.00 H new ATOM 503 N ASP A 30 5.508 -13.276 -9.358 1.00 0.00 N ATOM 504 CA ASP A 30 4.812 -14.312 -10.111 1.00 0.00 C ATOM 505 C ASP A 30 5.519 -15.653 -9.956 1.00 0.00 C ATOM 506 O ASP A 30 6.353 -16.029 -10.783 1.00 0.00 O ATOM 507 CB ASP A 30 4.717 -13.929 -11.591 1.00 0.00 C ATOM 508 CG ASP A 30 3.816 -12.731 -11.823 1.00 0.00 C ATOM 509 OD1 ASP A 30 2.591 -12.927 -11.961 1.00 0.00 O ATOM 510 OD2 ASP A 30 4.338 -11.597 -11.862 1.00 0.00 O ATOM 0 H ASP A 30 6.117 -12.683 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 30 3.802 -14.405 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.715 -13.709 -11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.340 -14.779 -12.160 1.00 0.00 H new ATOM 515 N ALA A 31 5.179 -16.369 -8.885 1.00 0.00 N ATOM 516 CA ALA A 31 5.772 -17.677 -8.604 1.00 0.00 C ATOM 517 C ALA A 31 5.596 -18.635 -9.783 1.00 0.00 C ATOM 518 O ALA A 31 6.456 -19.479 -10.034 1.00 0.00 O ATOM 519 CB ALA A 31 5.161 -18.278 -7.349 1.00 0.00 C ATOM 0 H ALA A 31 4.493 -16.064 -8.195 1.00 0.00 H new ATOM 0 HA ALA A 31 6.840 -17.529 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.613 -19.251 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.344 -17.616 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.087 -18.399 -7.489 1.00 0.00 H new ATOM 525 N SER A 32 4.479 -18.495 -10.505 1.00 0.00 N ATOM 526 CA SER A 32 4.196 -19.346 -11.661 1.00 0.00 C ATOM 527 C SER A 32 5.217 -19.114 -12.779 1.00 0.00 C ATOM 528 O SER A 32 5.571 -20.044 -13.504 1.00 0.00 O ATOM 529 CB SER A 32 2.782 -19.084 -12.189 1.00 0.00 C ATOM 530 OG SER A 32 1.837 -19.932 -11.556 1.00 0.00 O ATOM 0 H SER A 32 3.758 -17.801 -10.308 1.00 0.00 H new ATOM 0 HA SER A 32 4.268 -20.383 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.513 -18.042 -12.017 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.757 -19.246 -13.267 1.00 0.00 H new ATOM 0 HG SER A 32 0.942 -19.745 -11.908 1.00 0.00 H new ATOM 536 N ALA A 33 5.683 -17.870 -12.910 1.00 0.00 N ATOM 537 CA ALA A 33 6.660 -17.513 -13.936 1.00 0.00 C ATOM 538 C ALA A 33 8.093 -17.708 -13.438 1.00 0.00 C ATOM 539 O ALA A 33 8.920 -18.301 -14.131 1.00 0.00 O ATOM 540 CB ALA A 33 6.448 -16.073 -14.385 1.00 0.00 C ATOM 0 H ALA A 33 5.397 -17.092 -12.315 1.00 0.00 H new ATOM 0 HA ALA A 33 6.510 -18.178 -14.786 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.182 -15.819 -15.150 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.444 -15.964 -14.795 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.566 -15.405 -13.532 1.00 0.00 H new ATOM 546 N LEU A 34 8.382 -17.201 -12.239 1.00 0.00 N ATOM 547 CA LEU A 34 9.719 -17.315 -11.657 1.00 0.00 C ATOM 548 C LEU A 34 10.026 -18.759 -11.253 1.00 0.00 C ATOM 549 O LEU A 34 10.927 -19.386 -11.814 1.00 0.00 O ATOM 550 CB LEU A 34 9.856 -16.384 -10.447 1.00 0.00 C ATOM 551 CG LEU A 34 11.132 -15.538 -10.415 1.00 0.00 C ATOM 552 CD1 LEU A 34 11.179 -14.585 -11.603 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.221 -14.770 -9.104 1.00 0.00 C ATOM 0 H LEU A 34 7.709 -16.708 -11.653 1.00 0.00 H new ATOM 0 HA LEU A 34 10.442 -17.016 -12.416 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.995 -15.715 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.816 -16.986 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 34 11.991 -16.205 -10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.094 -13.994 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.161 -15.158 -12.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.316 -13.920 -11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.133 -14.172 -9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.356 -14.114 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.238 -15.473 -8.271 1.00 0.00 H new ATOM 565 N GLY A 35 9.274 -19.282 -10.282 1.00 0.00 N ATOM 566 CA GLY A 35 9.483 -20.648 -9.828 1.00 0.00 C ATOM 567 C GLY A 35 9.515 -20.769 -8.314 1.00 0.00 C ATOM 568 O GLY A 35 10.538 -21.144 -7.740 1.00 0.00 O ATOM 0 H GLY A 35 8.525 -18.783 -9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.688 -21.282 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.421 -21.022 -10.237 1.00 0.00 H new ATOM 572 N LEU A 36 8.391 -20.456 -7.670 1.00 0.00 N ATOM 573 CA LEU A 36 8.291 -20.536 -6.213 1.00 0.00 C ATOM 574 C LEU A 36 6.935 -21.102 -5.787 1.00 0.00 C ATOM 575 O LEU A 36 6.060 -20.363 -5.331 1.00 0.00 O ATOM 576 CB LEU A 36 8.503 -19.151 -5.587 1.00 0.00 C ATOM 577 CG LEU A 36 9.952 -18.653 -5.570 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.289 -17.935 -6.870 1.00 0.00 C ATOM 579 CD2 LEU A 36 10.184 -17.738 -4.375 1.00 0.00 C ATOM 0 H LEU A 36 7.537 -20.145 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 36 9.071 -21.210 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.894 -18.428 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.132 -19.173 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 36 10.612 -19.515 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.322 -17.589 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.162 -18.621 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.624 -17.080 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.218 -17.392 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.514 -16.880 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.986 -18.286 -3.454 1.00 0.00 H new ATOM 591 N HIS A 37 6.767 -22.418 -5.934 1.00 0.00 N ATOM 592 CA HIS A 37 5.514 -23.080 -5.557 1.00 0.00 C ATOM 593 C HIS A 37 5.181 -22.830 -4.086 1.00 0.00 C ATOM 594 O HIS A 37 4.016 -22.644 -3.732 1.00 0.00 O ATOM 595 CB HIS A 37 5.593 -24.586 -5.823 1.00 0.00 C ATOM 596 CG HIS A 37 4.254 -25.235 -6.012 1.00 0.00 C ATOM 597 ND1 HIS A 37 3.803 -26.280 -5.230 1.00 0.00 N ATOM 598 CD2 HIS A 37 3.267 -24.984 -6.905 1.00 0.00 C ATOM 599 CE1 HIS A 37 2.600 -26.644 -5.637 1.00 0.00 C ATOM 600 NE2 HIS A 37 2.252 -25.874 -6.650 1.00 0.00 N ATOM 0 H HIS A 37 7.479 -23.045 -6.310 1.00 0.00 H new ATOM 0 HA HIS A 37 4.720 -22.655 -6.170 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.199 -24.758 -6.713 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.106 -25.067 -4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.276 -24.226 -7.674 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.003 -27.437 -5.212 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.371 -25.930 -7.161 1.00 0.00 H new ATOM 609 N ASP A 38 6.212 -22.820 -3.234 1.00 0.00 N ATOM 610 CA ASP A 38 6.025 -22.585 -1.801 1.00 0.00 C ATOM 611 C ASP A 38 5.366 -21.228 -1.544 1.00 0.00 C ATOM 612 O ASP A 38 4.557 -21.092 -0.626 1.00 0.00 O ATOM 613 CB ASP A 38 7.364 -22.662 -1.063 1.00 0.00 C ATOM 614 CG ASP A 38 7.617 -24.035 -0.470 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.167 -24.898 -1.185 1.00 0.00 O ATOM 616 OD2 ASP A 38 7.268 -24.245 0.711 1.00 0.00 O ATOM 0 H ASP A 38 7.181 -22.972 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 38 5.365 -23.365 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.171 -22.412 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.381 -21.917 -0.268 1.00 0.00 H new ATOM 621 N TYR A 39 5.709 -20.229 -2.363 1.00 0.00 N ATOM 622 CA TYR A 39 5.140 -18.887 -2.226 1.00 0.00 C ATOM 623 C TYR A 39 3.613 -18.936 -2.280 1.00 0.00 C ATOM 624 O TYR A 39 2.934 -18.304 -1.468 1.00 0.00 O ATOM 625 CB TYR A 39 5.669 -17.968 -3.332 1.00 0.00 C ATOM 626 CG TYR A 39 5.648 -16.497 -2.971 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.456 -15.782 -2.947 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.822 -15.825 -2.657 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.437 -14.439 -2.620 1.00 0.00 C ATOM 630 CE2 TYR A 39 6.811 -14.483 -2.328 1.00 0.00 C ATOM 631 CZ TYR A 39 5.617 -13.794 -2.311 1.00 0.00 C ATOM 632 OH TYR A 39 5.602 -12.457 -1.985 1.00 0.00 O ATOM 0 H TYR A 39 6.378 -20.325 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 39 5.442 -18.490 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.692 -18.258 -3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.074 -18.120 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.530 -16.284 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.760 -16.361 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.503 -13.897 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.733 -13.976 -2.085 1.00 0.00 H new ATOM 0 HH TYR A 39 6.515 -12.157 -1.794 1.00 0.00 H new ATOM 642 N HIS A 40 3.080 -19.695 -3.240 1.00 0.00 N ATOM 643 CA HIS A 40 1.635 -19.833 -3.396 1.00 0.00 C ATOM 644 C HIS A 40 1.051 -20.778 -2.343 1.00 0.00 C ATOM 645 O HIS A 40 -0.112 -20.647 -1.965 1.00 0.00 O ATOM 646 CB HIS A 40 1.289 -20.336 -4.800 1.00 0.00 C ATOM 647 CG HIS A 40 0.073 -19.685 -5.386 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.299 -18.382 -5.435 1.00 0.00 N flip ATOM 649 CD2 HIS A 40 -0.932 -20.390 -6.016 1.00 0.00 C flip ATOM 650 CE1 HIS A 40 -1.505 -18.328 -6.087 1.00 0.00 C flip ATOM 651 NE2 HIS A 40 -1.866 -19.551 -6.429 1.00 0.00 N flip ATOM 0 H HIS A 40 3.629 -20.222 -3.919 1.00 0.00 H new ATOM 0 HA HIS A 40 1.192 -18.847 -3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.139 -20.161 -5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.132 -21.414 -4.763 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.952 -21.461 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.069 -17.429 -6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.719 -19.805 -6.927 1.00 0.00 H new ATOM 660 N ASP A 41 1.862 -21.727 -1.869 1.00 0.00 N ATOM 661 CA ASP A 41 1.415 -22.682 -0.856 1.00 0.00 C ATOM 662 C ASP A 41 1.240 -21.993 0.498 1.00 0.00 C ATOM 663 O ASP A 41 0.218 -22.165 1.162 1.00 0.00 O ATOM 664 CB ASP A 41 2.413 -23.841 -0.724 1.00 0.00 C ATOM 665 CG ASP A 41 1.773 -25.119 -0.202 1.00 0.00 C ATOM 666 OD1 ASP A 41 0.817 -25.030 0.599 1.00 0.00 O ATOM 667 OD2 ASP A 41 2.233 -26.212 -0.592 1.00 0.00 O ATOM 0 H ASP A 41 2.828 -21.853 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 41 0.452 -23.081 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.864 -24.038 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.219 -23.545 -0.053 1.00 0.00 H new ATOM 672 N ILE A 42 2.248 -21.216 0.899 1.00 0.00 N ATOM 673 CA ILE A 42 2.215 -20.505 2.177 1.00 0.00 C ATOM 674 C ILE A 42 1.206 -19.353 2.161 1.00 0.00 C ATOM 675 O ILE A 42 0.238 -19.362 2.922 1.00 0.00 O ATOM 676 CB ILE A 42 3.606 -19.949 2.561 1.00 0.00 C ATOM 677 CG1 ILE A 42 4.665 -21.055 2.517 1.00 0.00 C ATOM 678 CG2 ILE A 42 3.562 -19.312 3.945 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.077 -20.529 2.389 1.00 0.00 C ATOM 0 H ILE A 42 3.098 -21.063 0.356 1.00 0.00 H new ATOM 0 HA ILE A 42 1.907 -21.238 2.922 1.00 0.00 H new ATOM 0 HB ILE A 42 3.879 -19.184 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.590 -21.656 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.454 -21.717 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.549 -18.926 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.841 -18.494 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.264 -20.060 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.776 -21.365 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.168 -19.952 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.306 -19.890 3.242 1.00 0.00 H new ATOM 691 N ILE A 43 1.442 -18.359 1.302 1.00 0.00 N ATOM 692 CA ILE A 43 0.554 -17.201 1.210 1.00 0.00 C ATOM 693 C ILE A 43 -0.610 -17.460 0.253 1.00 0.00 C ATOM 694 O ILE A 43 -1.774 -17.408 0.656 1.00 0.00 O ATOM 695 CB ILE A 43 1.310 -15.930 0.751 1.00 0.00 C ATOM 696 CG1 ILE A 43 2.570 -15.706 1.594 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.399 -14.711 0.829 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.766 -15.265 0.781 1.00 0.00 C ATOM 0 H ILE A 43 2.237 -18.333 0.663 1.00 0.00 H new ATOM 0 HA ILE A 43 0.163 -17.037 2.214 1.00 0.00 H new ATOM 0 HB ILE A 43 1.615 -16.075 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.360 -14.954 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.817 -16.630 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.946 -13.826 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.466 -14.861 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.064 -14.572 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.623 -15.125 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.001 -16.026 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.538 -14.325 0.278 1.00 0.00 H new ATOM 710 N LYS A 44 -0.285 -17.722 -1.018 1.00 0.00 N ATOM 711 CA LYS A 44 -1.285 -17.980 -2.060 1.00 0.00 C ATOM 712 C LYS A 44 -1.917 -16.688 -2.596 1.00 0.00 C ATOM 713 O LYS A 44 -2.381 -16.656 -3.738 1.00 0.00 O ATOM 714 CB LYS A 44 -2.374 -18.923 -1.546 1.00 0.00 C ATOM 715 CG LYS A 44 -2.991 -19.785 -2.638 1.00 0.00 C ATOM 716 CD LYS A 44 -3.562 -21.081 -2.079 1.00 0.00 C ATOM 717 CE LYS A 44 -4.950 -20.878 -1.484 1.00 0.00 C ATOM 718 NZ LYS A 44 -5.879 -20.205 -2.438 1.00 0.00 N ATOM 0 H LYS A 44 0.678 -17.761 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.760 -18.456 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.951 -19.570 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.159 -18.335 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.781 -19.226 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.236 -20.015 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.612 -21.828 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.892 -21.473 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.365 -21.844 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.870 -20.281 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.862 -20.426 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.733 -19.176 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.690 -20.543 -3.403 1.00 0.00 H new ATOM 732 N HIS A 45 -1.938 -15.629 -1.779 1.00 0.00 N ATOM 733 CA HIS A 45 -2.518 -14.353 -2.190 1.00 0.00 C ATOM 734 C HIS A 45 -1.490 -13.219 -2.099 1.00 0.00 C ATOM 735 O HIS A 45 -1.473 -12.457 -1.129 1.00 0.00 O ATOM 736 CB HIS A 45 -3.745 -14.027 -1.330 1.00 0.00 C ATOM 737 CG HIS A 45 -5.027 -13.984 -2.104 1.00 0.00 C ATOM 738 ND1 HIS A 45 -6.124 -14.759 -1.790 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.385 -13.249 -3.184 1.00 0.00 C ATOM 740 CE1 HIS A 45 -7.100 -14.504 -2.644 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.677 -13.592 -3.498 1.00 0.00 N ATOM 0 H HIS A 45 -1.560 -15.634 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.827 -14.444 -3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.833 -14.773 -0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.592 -13.064 -0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.769 -12.528 -3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.077 -14.964 -2.643 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.222 -13.204 -4.268 1.00 0.00 H new ATOM 750 N PRO A 46 -0.616 -13.092 -3.117 1.00 0.00 N ATOM 751 CA PRO A 46 0.416 -12.046 -3.156 1.00 0.00 C ATOM 752 C PRO A 46 -0.167 -10.658 -3.438 1.00 0.00 C ATOM 753 O PRO A 46 -1.344 -10.529 -3.780 1.00 0.00 O ATOM 754 CB PRO A 46 1.322 -12.491 -4.307 1.00 0.00 C ATOM 755 CG PRO A 46 0.430 -13.273 -5.206 1.00 0.00 C ATOM 756 CD PRO A 46 -0.566 -13.959 -4.311 1.00 0.00 C ATOM 0 HA PRO A 46 0.932 -11.945 -2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.755 -11.635 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.152 -13.098 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.072 -12.621 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.000 -14.000 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.543 -14.041 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.248 -14.971 -4.059 1.00 0.00 H new ATOM 764 N MET A 47 0.666 -9.624 -3.289 1.00 0.00 N ATOM 765 CA MET A 47 0.231 -8.248 -3.526 1.00 0.00 C ATOM 766 C MET A 47 1.417 -7.333 -3.836 1.00 0.00 C ATOM 767 O MET A 47 2.537 -7.577 -3.382 1.00 0.00 O ATOM 768 CB MET A 47 -0.535 -7.717 -2.310 1.00 0.00 C ATOM 769 CG MET A 47 -2.043 -7.876 -2.428 1.00 0.00 C ATOM 770 SD MET A 47 -2.945 -6.843 -1.259 1.00 0.00 S ATOM 771 CE MET A 47 -3.533 -5.541 -2.339 1.00 0.00 C ATOM 0 H MET A 47 1.642 -9.715 -3.006 1.00 0.00 H new ATOM 0 HA MET A 47 -0.429 -8.252 -4.394 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.191 -8.239 -1.417 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.298 -6.662 -2.173 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.352 -7.625 -3.443 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.308 -8.920 -2.263 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.404 -4.576 -1.849 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.964 -5.555 -3.269 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.589 -5.699 -2.558 1.00 0.00 H new ATOM 781 N ASP A 48 1.158 -6.283 -4.617 1.00 0.00 N ATOM 782 CA ASP A 48 2.196 -5.327 -5.001 1.00 0.00 C ATOM 783 C ASP A 48 1.602 -3.936 -5.238 1.00 0.00 C ATOM 784 O ASP A 48 0.403 -3.797 -5.492 1.00 0.00 O ATOM 785 CB ASP A 48 2.923 -5.807 -6.265 1.00 0.00 C ATOM 786 CG ASP A 48 1.973 -6.089 -7.417 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.200 -7.068 -7.328 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.998 -5.327 -8.405 1.00 0.00 O ATOM 0 H ASP A 48 0.235 -6.073 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 48 2.911 -5.261 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.646 -5.051 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.486 -6.711 -6.034 1.00 0.00 H new ATOM 793 N LEU A 49 2.451 -2.909 -5.151 1.00 0.00 N ATOM 794 CA LEU A 49 2.016 -1.523 -5.352 1.00 0.00 C ATOM 795 C LEU A 49 1.460 -1.296 -6.762 1.00 0.00 C ATOM 796 O LEU A 49 0.566 -0.469 -6.950 1.00 0.00 O ATOM 797 CB LEU A 49 3.174 -0.554 -5.091 1.00 0.00 C ATOM 798 CG LEU A 49 3.054 0.271 -3.807 1.00 0.00 C ATOM 799 CD1 LEU A 49 3.683 -0.468 -2.636 1.00 0.00 C ATOM 800 CD2 LEU A 49 3.698 1.639 -3.988 1.00 0.00 C ATOM 0 H LEU A 49 3.444 -3.010 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 49 1.214 -1.331 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.102 -1.124 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.254 0.129 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 49 1.996 0.417 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.588 0.134 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.175 -1.421 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.738 -0.647 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.603 2.211 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.753 1.515 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.199 2.172 -4.798 1.00 0.00 H new ATOM 812 N SER A 50 1.995 -2.021 -7.751 1.00 0.00 N ATOM 813 CA SER A 50 1.541 -1.875 -9.137 1.00 0.00 C ATOM 814 C SER A 50 0.079 -2.287 -9.292 1.00 0.00 C ATOM 815 O SER A 50 -0.683 -1.633 -10.006 1.00 0.00 O ATOM 816 CB SER A 50 2.410 -2.704 -10.085 1.00 0.00 C ATOM 817 OG SER A 50 2.695 -1.981 -11.271 1.00 0.00 O ATOM 0 H SER A 50 2.736 -2.709 -7.619 1.00 0.00 H new ATOM 0 HA SER A 50 1.633 -0.820 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.341 -2.976 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.898 -3.634 -10.335 1.00 0.00 H new ATOM 0 HG SER A 50 3.455 -1.383 -11.115 1.00 0.00 H new ATOM 823 N THR A 51 -0.310 -3.371 -8.619 1.00 0.00 N ATOM 824 CA THR A 51 -1.685 -3.856 -8.689 1.00 0.00 C ATOM 825 C THR A 51 -2.635 -2.894 -7.979 1.00 0.00 C ATOM 826 O THR A 51 -3.759 -2.680 -8.434 1.00 0.00 O ATOM 827 CB THR A 51 -1.802 -5.262 -8.087 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.047 -6.192 -8.841 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.222 -5.777 -8.031 1.00 0.00 C ATOM 0 H THR A 51 0.305 -3.925 -8.023 1.00 0.00 H new ATOM 0 HA THR A 51 -1.968 -3.909 -9.740 1.00 0.00 H new ATOM 0 HB THR A 51 -1.424 -5.169 -7.069 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.360 -6.596 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.230 -6.776 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.828 -5.109 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.634 -5.819 -9.039 1.00 0.00 H new ATOM 837 N VAL A 52 -2.178 -2.306 -6.871 1.00 0.00 N ATOM 838 CA VAL A 52 -2.998 -1.360 -6.118 1.00 0.00 C ATOM 839 C VAL A 52 -3.415 -0.184 -7.003 1.00 0.00 C ATOM 840 O VAL A 52 -4.567 0.255 -6.962 1.00 0.00 O ATOM 841 CB VAL A 52 -2.257 -0.823 -4.875 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.187 0.036 -4.033 1.00 0.00 C ATOM 843 CG2 VAL A 52 -1.682 -1.967 -4.048 1.00 0.00 C ATOM 0 H VAL A 52 -1.250 -2.468 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.884 -1.901 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.427 -0.203 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.649 0.407 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.541 0.879 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.039 -0.561 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.165 -1.563 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.490 -2.620 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.979 -2.537 -4.655 1.00 0.00 H new ATOM 853 N LYS A 53 -2.477 0.308 -7.815 1.00 0.00 N ATOM 854 CA LYS A 53 -2.751 1.418 -8.725 1.00 0.00 C ATOM 855 C LYS A 53 -3.763 1.000 -9.793 1.00 0.00 C ATOM 856 O LYS A 53 -4.671 1.760 -10.126 1.00 0.00 O ATOM 857 CB LYS A 53 -1.455 1.901 -9.385 1.00 0.00 C ATOM 858 CG LYS A 53 -1.566 3.284 -10.012 1.00 0.00 C ATOM 859 CD LYS A 53 -0.283 4.082 -9.838 1.00 0.00 C ATOM 860 CE LYS A 53 -0.462 5.528 -10.277 1.00 0.00 C ATOM 861 NZ LYS A 53 0.372 6.465 -9.473 1.00 0.00 N ATOM 0 H LYS A 53 -1.521 -0.046 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.176 2.238 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.660 1.913 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.161 1.186 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.793 3.186 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.396 3.825 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.026 4.053 -8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.515 3.620 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.199 5.622 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.512 5.807 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.199 7.291 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.712 5.981 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.186 6.779 -10.039 1.00 0.00 H new ATOM 875 N ARG A 54 -3.602 -0.218 -10.322 1.00 0.00 N ATOM 876 CA ARG A 54 -4.506 -0.741 -11.348 1.00 0.00 C ATOM 877 C ARG A 54 -5.924 -0.936 -10.799 1.00 0.00 C ATOM 878 O ARG A 54 -6.900 -0.828 -11.539 1.00 0.00 O ATOM 879 CB ARG A 54 -3.979 -2.068 -11.904 1.00 0.00 C ATOM 880 CG ARG A 54 -3.524 -1.983 -13.353 1.00 0.00 C ATOM 881 CD ARG A 54 -4.527 -2.634 -14.295 1.00 0.00 C ATOM 882 NE ARG A 54 -4.393 -4.092 -14.328 1.00 0.00 N ATOM 883 CZ ARG A 54 -5.182 -4.899 -15.046 1.00 0.00 C ATOM 884 NH1 ARG A 54 -6.163 -4.396 -15.791 1.00 0.00 N ATOM 885 NH2 ARG A 54 -4.989 -6.213 -15.018 1.00 0.00 N ATOM 0 H ARG A 54 -2.854 -0.858 -10.056 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.548 -0.006 -12.152 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.144 -2.404 -11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.761 -2.823 -11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.388 -0.938 -13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.555 -2.470 -13.460 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.538 -2.371 -13.984 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.389 -2.236 -15.300 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.653 -4.518 -13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.318 -3.388 -15.818 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.760 -5.018 -16.336 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.239 -6.606 -14.449 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.591 -6.829 -15.565 1.00 0.00 H new ATOM 899 N LYS A 55 -6.034 -1.227 -9.501 1.00 0.00 N ATOM 900 CA LYS A 55 -7.338 -1.433 -8.876 1.00 0.00 C ATOM 901 C LYS A 55 -8.091 -0.111 -8.723 1.00 0.00 C ATOM 902 O LYS A 55 -9.279 -0.032 -9.030 1.00 0.00 O ATOM 903 CB LYS A 55 -7.181 -2.101 -7.507 1.00 0.00 C ATOM 904 CG LYS A 55 -6.975 -3.606 -7.578 1.00 0.00 C ATOM 905 CD LYS A 55 -5.970 -4.075 -6.542 1.00 0.00 C ATOM 906 CE LYS A 55 -6.083 -5.571 -6.291 1.00 0.00 C ATOM 907 NZ LYS A 55 -5.421 -5.973 -5.018 1.00 0.00 N ATOM 0 H LYS A 55 -5.240 -1.324 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.917 -2.088 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.334 -1.652 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.067 -1.893 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.927 -4.113 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.629 -3.881 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.961 -3.837 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.130 -3.536 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.135 -5.855 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.632 -6.113 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.325 -7.008 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.479 -5.536 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.997 -5.656 -4.212 1.00 0.00 H new ATOM 921 N MET A 56 -7.399 0.923 -8.242 1.00 0.00 N ATOM 922 CA MET A 56 -8.022 2.237 -8.044 1.00 0.00 C ATOM 923 C MET A 56 -8.431 2.883 -9.370 1.00 0.00 C ATOM 924 O MET A 56 -9.468 3.542 -9.445 1.00 0.00 O ATOM 925 CB MET A 56 -7.087 3.172 -7.268 1.00 0.00 C ATOM 926 CG MET A 56 -5.734 3.400 -7.926 1.00 0.00 C ATOM 927 SD MET A 56 -5.013 5.000 -7.504 1.00 0.00 S ATOM 928 CE MET A 56 -5.285 5.053 -5.733 1.00 0.00 C ATOM 0 H MET A 56 -6.413 0.879 -7.983 1.00 0.00 H new ATOM 0 HA MET A 56 -8.928 2.076 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 56 -7.581 4.135 -7.140 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.927 2.760 -6.271 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.050 2.607 -7.624 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.845 3.330 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.516 5.667 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.266 5.482 -5.528 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.239 4.042 -5.327 1.00 0.00 H new ATOM 938 N GLU A 57 -7.616 2.695 -10.410 1.00 0.00 N ATOM 939 CA GLU A 57 -7.910 3.269 -11.728 1.00 0.00 C ATOM 940 C GLU A 57 -9.077 2.548 -12.415 1.00 0.00 C ATOM 941 O GLU A 57 -9.765 3.134 -13.251 1.00 0.00 O ATOM 942 CB GLU A 57 -6.668 3.257 -12.632 1.00 0.00 C ATOM 943 CG GLU A 57 -6.017 1.888 -12.788 1.00 0.00 C ATOM 944 CD GLU A 57 -6.207 1.279 -14.168 1.00 0.00 C ATOM 945 OE1 GLU A 57 -6.236 2.035 -15.162 1.00 0.00 O ATOM 946 OE2 GLU A 57 -6.319 0.038 -14.256 1.00 0.00 O ATOM 0 H GLU A 57 -6.752 2.154 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.206 4.305 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.948 3.627 -13.618 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.932 3.952 -12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.950 1.976 -12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.431 1.211 -12.041 1.00 0.00 H new ATOM 953 N ASN A 58 -9.307 1.283 -12.050 1.00 0.00 N ATOM 954 CA ASN A 58 -10.397 0.501 -12.622 1.00 0.00 C ATOM 955 C ASN A 58 -11.602 0.467 -11.676 1.00 0.00 C ATOM 956 O ASN A 58 -12.617 -0.161 -11.982 1.00 0.00 O ATOM 957 CB ASN A 58 -9.925 -0.927 -12.922 1.00 0.00 C ATOM 958 CG ASN A 58 -9.936 -1.236 -14.406 1.00 0.00 C ATOM 959 OD1 ASN A 58 -10.717 -2.065 -14.872 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.068 -0.569 -15.158 1.00 0.00 N ATOM 0 H ASN A 58 -8.749 0.782 -11.359 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.704 0.978 -13.553 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.916 -1.063 -12.532 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.567 -1.637 -12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.031 -0.736 -16.164 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.438 0.110 -14.730 1.00 0.00 H new ATOM 967 N ARG A 59 -11.480 1.138 -10.520 1.00 0.00 N ATOM 968 CA ARG A 59 -12.545 1.177 -9.526 1.00 0.00 C ATOM 969 C ARG A 59 -12.787 -0.216 -8.936 1.00 0.00 C ATOM 970 O ARG A 59 -13.918 -0.584 -8.614 1.00 0.00 O ATOM 971 CB ARG A 59 -13.826 1.737 -10.144 1.00 0.00 C ATOM 972 CG ARG A 59 -14.824 2.239 -9.115 1.00 0.00 C ATOM 973 CD ARG A 59 -15.925 3.070 -9.757 1.00 0.00 C ATOM 974 NE ARG A 59 -16.738 3.777 -8.766 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.700 4.652 -9.077 1.00 0.00 C ATOM 976 NH1 ARG A 59 -17.978 4.928 -10.350 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.388 5.250 -8.111 1.00 0.00 N ATOM 0 H ARG A 59 -10.645 1.662 -10.257 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.238 1.836 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.568 2.554 -10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.298 0.962 -10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.266 1.390 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.305 2.838 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.480 3.793 -10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.566 2.421 -10.353 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.560 3.591 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.455 4.470 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.714 5.597 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.182 5.041 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.122 5.918 -8.346 1.00 0.00 H new ATOM 991 N ASP A 60 -11.702 -0.980 -8.790 1.00 0.00 N ATOM 992 CA ASP A 60 -11.768 -2.330 -8.233 1.00 0.00 C ATOM 993 C ASP A 60 -12.218 -2.304 -6.773 1.00 0.00 C ATOM 994 O ASP A 60 -12.897 -3.221 -6.307 1.00 0.00 O ATOM 995 CB ASP A 60 -10.400 -3.006 -8.341 1.00 0.00 C ATOM 996 CG ASP A 60 -10.460 -4.489 -8.032 1.00 0.00 C ATOM 997 OD1 ASP A 60 -10.717 -5.279 -8.964 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.250 -4.860 -6.858 1.00 0.00 O ATOM 0 H ASP A 60 -10.762 -0.683 -9.052 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.502 -2.897 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.006 -2.863 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.704 -2.523 -7.655 1.00 0.00 H new ATOM 1003 N TYR A 61 -11.840 -1.243 -6.060 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.202 -1.086 -4.663 1.00 0.00 C ATOM 1005 C TYR A 61 -13.569 -0.426 -4.542 1.00 0.00 C ATOM 1006 O TYR A 61 -13.734 0.741 -4.904 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.158 -0.233 -3.941 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.802 -0.890 -3.823 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.587 -1.916 -2.914 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.737 -0.482 -4.618 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.351 -2.517 -2.798 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.497 -1.079 -4.508 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.309 -2.096 -3.596 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.074 -2.692 -3.481 1.00 0.00 O ATOM 0 H TYR A 61 -11.280 -0.478 -6.436 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.240 -2.074 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.047 0.713 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.524 0.003 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.401 -2.249 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.882 0.314 -5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.200 -3.314 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.679 -0.751 -5.133 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.186 -3.624 -3.201 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.543 -1.168 -4.022 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.892 -0.634 -3.844 1.00 0.00 C ATOM 1026 C ARG A 62 -16.040 0.044 -2.478 1.00 0.00 C ATOM 1027 O ARG A 62 -17.157 0.322 -2.034 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.934 -1.746 -4.001 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.870 -2.443 -5.351 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.184 -3.123 -5.703 1.00 0.00 C ATOM 1031 NE ARG A 62 -18.079 -4.582 -5.659 1.00 0.00 N ATOM 1032 CZ ARG A 62 -17.482 -5.323 -6.601 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -16.913 -4.746 -7.658 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -17.451 -6.647 -6.484 1.00 0.00 N ATOM 0 H ARG A 62 -14.426 -2.135 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.061 0.117 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.790 -2.484 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.930 -1.324 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.620 -1.716 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.070 -3.183 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.958 -2.795 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.496 -2.813 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.487 -5.066 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.929 -3.731 -7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.461 -5.319 -8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.882 -7.098 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -16.996 -7.212 -7.201 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.904 0.312 -1.819 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.901 0.957 -0.506 1.00 0.00 C ATOM 1050 C ASP A 63 -13.472 1.192 -0.015 1.00 0.00 C ATOM 1051 O ASP A 63 -12.559 0.438 -0.358 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.674 0.117 0.520 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.127 -1.290 0.671 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.316 -2.107 -0.253 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -14.514 -1.573 1.718 1.00 0.00 O ATOM 0 H ASP A 63 -13.975 0.090 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.397 1.922 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.644 0.618 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.721 0.063 0.222 1.00 0.00 H new ATOM 1060 N ALA A 64 -13.291 2.242 0.791 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.975 2.585 1.337 1.00 0.00 C ATOM 1062 C ALA A 64 -11.466 1.511 2.301 1.00 0.00 C ATOM 1063 O ALA A 64 -10.258 1.282 2.400 1.00 0.00 O ATOM 1064 CB ALA A 64 -12.023 3.942 2.035 1.00 0.00 C ATOM 0 H ALA A 64 -14.041 2.870 1.080 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.277 2.640 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.037 4.181 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.320 4.709 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.746 3.907 2.850 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.392 0.858 3.010 1.00 0.00 N ATOM 1071 CA GLN A 65 -12.035 -0.189 3.968 1.00 0.00 C ATOM 1072 C GLN A 65 -11.334 -1.361 3.274 1.00 0.00 C ATOM 1073 O GLN A 65 -10.369 -1.913 3.805 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.284 -0.681 4.710 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.334 -0.250 6.169 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.593 1.238 6.341 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -13.188 2.053 5.512 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.272 1.600 7.424 1.00 0.00 N ATOM 0 H GLN A 65 -13.394 1.037 2.938 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.340 0.240 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.171 -0.307 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.322 -1.769 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.116 -0.811 6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.390 -0.507 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.590 0.893 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.475 2.585 7.593 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.816 -1.726 2.083 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.227 -2.823 1.314 1.00 0.00 C ATOM 1089 C GLU A 66 -9.782 -2.503 0.937 1.00 0.00 C ATOM 1090 O GLU A 66 -8.910 -3.370 0.989 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.049 -3.095 0.050 1.00 0.00 C ATOM 1092 CG GLU A 66 -12.720 -4.460 0.045 1.00 0.00 C ATOM 1093 CD GLU A 66 -11.864 -5.529 -0.608 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -10.751 -5.790 -0.104 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -12.308 -6.106 -1.623 1.00 0.00 O ATOM 0 H GLU A 66 -12.613 -1.277 1.631 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.235 -3.716 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.812 -2.323 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.399 -3.015 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.943 -4.755 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.672 -4.391 -0.481 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.538 -1.245 0.565 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.200 -0.796 0.189 1.00 0.00 C ATOM 1104 C PHE A 67 -7.236 -0.918 1.370 1.00 0.00 C ATOM 1105 O PHE A 67 -6.150 -1.483 1.237 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.249 0.655 -0.301 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.964 1.140 -0.918 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.854 1.411 -0.131 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.871 1.332 -2.287 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.679 1.863 -0.699 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -5.699 1.785 -2.860 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.601 2.050 -2.065 1.00 0.00 C ATOM 0 H PHE A 67 -10.253 -0.519 0.517 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.839 -1.433 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -9.051 0.753 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.503 1.302 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.909 1.267 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.726 1.125 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.822 2.070 -0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.641 1.932 -3.928 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.683 2.403 -2.511 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.646 -0.381 2.523 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.825 -0.422 3.735 1.00 0.00 C ATOM 1124 C ALA A 68 -6.499 -1.857 4.138 1.00 0.00 C ATOM 1125 O ALA A 68 -5.339 -2.189 4.384 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.522 0.299 4.879 1.00 0.00 C ATOM 0 H ALA A 68 -8.544 0.088 2.642 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.887 0.089 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.896 0.257 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.692 1.340 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.478 -0.183 5.084 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.529 -2.705 4.202 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.344 -4.107 4.573 1.00 0.00 C ATOM 1134 C ALA A 69 -6.373 -4.803 3.620 1.00 0.00 C ATOM 1135 O ALA A 69 -5.580 -5.646 4.043 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.679 -4.841 4.595 1.00 0.00 C ATOM 0 H ALA A 69 -8.495 -2.445 4.002 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.917 -4.132 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.517 -5.882 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.341 -4.370 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.135 -4.797 3.606 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.438 -4.443 2.334 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.560 -5.036 1.328 1.00 0.00 C ATOM 1144 C ASP A 70 -4.100 -4.672 1.594 1.00 0.00 C ATOM 1145 O ASP A 70 -3.213 -5.519 1.476 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.963 -4.573 -0.080 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.520 -5.699 -0.937 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.092 -6.859 -0.758 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -7.380 -5.418 -1.795 1.00 0.00 O ATOM 0 H ASP A 70 -7.088 -3.746 1.969 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.666 -6.119 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.709 -3.783 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.095 -4.140 -0.577 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.855 -3.416 1.969 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.497 -2.956 2.259 1.00 0.00 C ATOM 1156 C VAL A 71 -1.902 -3.711 3.447 1.00 0.00 C ATOM 1157 O VAL A 71 -0.734 -4.102 3.420 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.446 -1.441 2.552 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.002 -0.969 2.656 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.198 -0.654 1.484 1.00 0.00 C ATOM 0 H VAL A 71 -4.575 -2.702 2.079 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.908 -3.157 1.364 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.937 -1.260 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.983 0.101 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.502 -1.504 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.486 -1.166 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.147 0.410 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.744 -0.837 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.240 -0.972 1.464 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.713 -3.914 4.489 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.265 -4.625 5.688 1.00 0.00 C ATOM 1172 C ARG A 72 -1.712 -6.009 5.334 1.00 0.00 C ATOM 1173 O ARG A 72 -0.699 -6.436 5.888 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.415 -4.759 6.696 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.943 -3.425 7.209 1.00 0.00 C ATOM 1176 CD ARG A 72 -5.159 -3.606 8.108 1.00 0.00 C ATOM 1177 NE ARG A 72 -5.177 -2.641 9.210 1.00 0.00 N ATOM 1178 CZ ARG A 72 -6.120 -2.597 10.155 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -7.136 -3.457 10.142 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -6.047 -1.686 11.121 1.00 0.00 N ATOM 0 H ARG A 72 -3.682 -3.596 4.526 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.464 -4.042 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.233 -5.307 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.075 -5.355 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.156 -2.911 7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.207 -2.789 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.067 -3.496 7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.163 -4.618 8.513 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.421 -1.959 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.200 -4.159 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.850 -3.414 10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.272 -1.023 11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.766 -1.650 11.844 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.380 -6.700 4.404 1.00 0.00 N ATOM 1195 CA LEU A 73 -1.949 -8.032 3.974 1.00 0.00 C ATOM 1196 C LEU A 73 -0.566 -7.984 3.322 1.00 0.00 C ATOM 1197 O LEU A 73 0.284 -8.829 3.601 1.00 0.00 O ATOM 1198 CB LEU A 73 -2.963 -8.635 2.996 1.00 0.00 C ATOM 1199 CG LEU A 73 -2.747 -10.119 2.669 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -3.752 -10.985 3.416 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -2.844 -10.356 1.167 1.00 0.00 C ATOM 0 H LEU A 73 -3.220 -6.359 3.936 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.889 -8.662 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.963 -8.512 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.932 -8.066 2.067 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.746 -10.400 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.582 -12.033 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.631 -10.839 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.763 -10.703 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.688 -11.414 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.831 -10.057 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.082 -9.767 0.656 1.00 0.00 H new ATOM 1213 N MET A 74 -0.348 -6.995 2.453 1.00 0.00 N ATOM 1214 CA MET A 74 0.935 -6.843 1.763 1.00 0.00 C ATOM 1215 C MET A 74 2.079 -6.651 2.761 1.00 0.00 C ATOM 1216 O MET A 74 3.140 -7.262 2.622 1.00 0.00 O ATOM 1217 CB MET A 74 0.886 -5.656 0.792 1.00 0.00 C ATOM 1218 CG MET A 74 2.158 -5.479 -0.025 1.00 0.00 C ATOM 1219 SD MET A 74 3.261 -4.233 0.669 1.00 0.00 S ATOM 1220 CE MET A 74 3.485 -3.151 -0.740 1.00 0.00 C ATOM 0 H MET A 74 -1.042 -6.288 2.210 1.00 0.00 H new ATOM 0 HA MET A 74 1.119 -7.757 1.199 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.044 -5.789 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.698 -4.743 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.684 -6.432 -0.083 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.894 -5.198 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.301 -2.457 -0.540 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.723 -3.746 -1.622 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.567 -2.590 -0.917 1.00 0.00 H new ATOM 1230 N PHE A 75 1.854 -5.799 3.761 1.00 0.00 N ATOM 1231 CA PHE A 75 2.866 -5.523 4.782 1.00 0.00 C ATOM 1232 C PHE A 75 3.109 -6.746 5.669 1.00 0.00 C ATOM 1233 O PHE A 75 4.253 -7.059 5.999 1.00 0.00 O ATOM 1234 CB PHE A 75 2.449 -4.323 5.639 1.00 0.00 C ATOM 1235 CG PHE A 75 2.688 -2.994 4.974 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.093 -2.693 3.758 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.510 -2.046 5.563 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.313 -1.476 3.144 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.733 -0.827 4.953 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.134 -0.541 3.742 1.00 0.00 C ATOM 0 H PHE A 75 0.980 -5.288 3.886 1.00 0.00 H new ATOM 0 HA PHE A 75 3.799 -5.286 4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.390 -4.412 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.997 -4.352 6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.449 -3.420 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.982 -2.263 6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.843 -1.256 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.376 -0.097 5.423 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.307 0.412 3.264 1.00 0.00 H new ATOM 1250 N SER A 76 2.030 -7.440 6.048 1.00 0.00 N ATOM 1251 CA SER A 76 2.140 -8.635 6.890 1.00 0.00 C ATOM 1252 C SER A 76 2.748 -9.802 6.108 1.00 0.00 C ATOM 1253 O SER A 76 3.476 -10.622 6.669 1.00 0.00 O ATOM 1254 CB SER A 76 0.770 -9.044 7.442 1.00 0.00 C ATOM 1255 OG SER A 76 -0.191 -9.159 6.406 1.00 0.00 O ATOM 0 H SER A 76 1.075 -7.196 5.786 1.00 0.00 H new ATOM 0 HA SER A 76 2.797 -8.389 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.857 -9.995 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.435 -8.307 8.171 1.00 0.00 H new ATOM 0 HG SER A 76 -0.517 -8.268 6.162 1.00 0.00 H new ATOM 1261 N ASN A 77 2.442 -9.865 4.809 1.00 0.00 N ATOM 1262 CA ASN A 77 2.948 -10.921 3.940 1.00 0.00 C ATOM 1263 C ASN A 77 4.473 -10.895 3.905 1.00 0.00 C ATOM 1264 O ASN A 77 5.123 -11.929 4.062 1.00 0.00 O ATOM 1265 CB ASN A 77 2.391 -10.725 2.523 1.00 0.00 C ATOM 1266 CG ASN A 77 2.749 -11.851 1.569 1.00 0.00 C ATOM 1267 OD1 ASN A 77 3.726 -12.570 1.771 1.00 0.00 O ATOM 1268 ND2 ASN A 77 1.957 -12.004 0.512 1.00 0.00 N ATOM 0 H ASN A 77 1.841 -9.189 4.337 1.00 0.00 H new ATOM 0 HA ASN A 77 2.626 -11.887 4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.306 -10.637 2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.768 -9.785 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.150 -12.739 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.156 -11.386 0.381 1.00 0.00 H new ATOM 1275 N CYS A 78 5.037 -9.705 3.708 1.00 0.00 N ATOM 1276 CA CYS A 78 6.487 -9.539 3.659 1.00 0.00 C ATOM 1277 C CYS A 78 7.138 -9.944 4.983 1.00 0.00 C ATOM 1278 O CYS A 78 8.154 -10.632 4.992 1.00 0.00 O ATOM 1279 CB CYS A 78 6.847 -8.091 3.320 1.00 0.00 C ATOM 1280 SG CYS A 78 7.802 -7.906 1.795 1.00 0.00 S ATOM 0 H CYS A 78 4.511 -8.841 3.580 1.00 0.00 H new ATOM 0 HA CYS A 78 6.870 -10.195 2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.929 -7.510 3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.417 -7.666 4.147 1.00 0.00 H new ATOM 0 HG CYS A 78 8.056 -6.647 1.592 1.00 0.00 H new ATOM 1286 N TYR A 79 6.550 -9.521 6.100 1.00 0.00 N ATOM 1287 CA TYR A 79 7.092 -9.857 7.416 1.00 0.00 C ATOM 1288 C TYR A 79 7.083 -11.372 7.645 1.00 0.00 C ATOM 1289 O TYR A 79 8.044 -11.931 8.175 1.00 0.00 O ATOM 1290 CB TYR A 79 6.300 -9.152 8.524 1.00 0.00 C ATOM 1291 CG TYR A 79 7.140 -8.222 9.373 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.876 -8.704 10.448 1.00 0.00 C ATOM 1293 CD2 TYR A 79 7.195 -6.861 9.097 1.00 0.00 C ATOM 1294 CE1 TYR A 79 8.642 -7.856 11.226 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.958 -6.007 9.869 1.00 0.00 C ATOM 1296 CZ TYR A 79 8.680 -6.509 10.932 1.00 0.00 C ATOM 1297 OH TYR A 79 9.442 -5.660 11.704 1.00 0.00 O ATOM 0 H TYR A 79 5.705 -8.950 6.122 1.00 0.00 H new ATOM 0 HA TYR A 79 8.125 -9.511 7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.487 -8.583 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.843 -9.904 9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.849 -9.758 10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.632 -6.465 8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.207 -8.246 12.059 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.989 -4.952 9.642 1.00 0.00 H new ATOM 0 HH TYR A 79 9.360 -4.745 11.363 1.00 0.00 H new ATOM 1307 N LYS A 80 5.989 -12.026 7.248 1.00 0.00 N ATOM 1308 CA LYS A 80 5.847 -13.474 7.413 1.00 0.00 C ATOM 1309 C LYS A 80 6.696 -14.262 6.406 1.00 0.00 C ATOM 1310 O LYS A 80 7.269 -15.296 6.752 1.00 0.00 O ATOM 1311 CB LYS A 80 4.375 -13.880 7.282 1.00 0.00 C ATOM 1312 CG LYS A 80 4.034 -15.179 7.997 1.00 0.00 C ATOM 1313 CD LYS A 80 3.684 -16.286 7.014 1.00 0.00 C ATOM 1314 CE LYS A 80 2.229 -16.203 6.569 1.00 0.00 C ATOM 1315 NZ LYS A 80 2.061 -16.525 5.122 1.00 0.00 N ATOM 0 H LYS A 80 5.187 -11.574 6.809 1.00 0.00 H new ATOM 0 HA LYS A 80 6.210 -13.720 8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.750 -13.081 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.128 -13.981 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.880 -15.490 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.195 -15.013 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.336 -16.219 6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.869 -17.256 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.629 -16.892 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.849 -15.200 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.495 -15.782 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.995 -16.578 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.576 -17.440 5.024 1.00 0.00 H new ATOM 1329 N TYR A 81 6.757 -13.789 5.158 1.00 0.00 N ATOM 1330 CA TYR A 81 7.520 -14.479 4.114 1.00 0.00 C ATOM 1331 C TYR A 81 8.968 -13.983 4.037 1.00 0.00 C ATOM 1332 O TYR A 81 9.900 -14.752 4.274 1.00 0.00 O ATOM 1333 CB TYR A 81 6.835 -14.321 2.752 1.00 0.00 C ATOM 1334 CG TYR A 81 7.338 -15.297 1.710 1.00 0.00 C ATOM 1335 CD1 TYR A 81 8.486 -15.028 0.976 1.00 0.00 C ATOM 1336 CD2 TYR A 81 6.669 -16.490 1.468 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.952 -15.919 0.029 1.00 0.00 C ATOM 1338 CE2 TYR A 81 7.129 -17.387 0.524 1.00 0.00 C ATOM 1339 CZ TYR A 81 8.271 -17.096 -0.193 1.00 0.00 C ATOM 1340 OH TYR A 81 8.732 -17.987 -1.136 1.00 0.00 O ATOM 0 H TYR A 81 6.291 -12.937 4.847 1.00 0.00 H new ATOM 0 HA TYR A 81 7.547 -15.536 4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.760 -14.455 2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.990 -13.304 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 81 9.023 -14.107 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 81 5.774 -16.720 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.846 -15.694 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.598 -18.311 0.348 1.00 0.00 H new ATOM 0 HH TYR A 81 8.138 -18.766 -1.168 1.00 0.00 H new ATOM 1350 N ASN A 82 9.151 -12.703 3.697 1.00 0.00 N ATOM 1351 CA ASN A 82 10.492 -12.112 3.584 1.00 0.00 C ATOM 1352 C ASN A 82 11.265 -12.222 4.907 1.00 0.00 C ATOM 1353 O ASN A 82 10.708 -12.640 5.925 1.00 0.00 O ATOM 1354 CB ASN A 82 10.393 -10.642 3.149 1.00 0.00 C ATOM 1355 CG ASN A 82 10.787 -10.434 1.698 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.957 -10.216 1.384 1.00 0.00 O ATOM 1357 ND2 ASN A 82 9.808 -10.495 0.802 1.00 0.00 N ATOM 0 H ASN A 82 8.389 -12.055 3.495 1.00 0.00 H new ATOM 0 HA ASN A 82 11.040 -12.671 2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.372 -10.291 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.035 -10.034 3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.013 -10.359 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.851 -10.678 1.104 1.00 0.00 H new ATOM 1364 N PRO A 83 12.571 -11.857 4.901 1.00 0.00 N ATOM 1365 CA PRO A 83 13.434 -11.920 6.095 1.00 0.00 C ATOM 1366 C PRO A 83 12.785 -11.332 7.353 1.00 0.00 C ATOM 1367 O PRO A 83 11.759 -10.654 7.281 1.00 0.00 O ATOM 1368 CB PRO A 83 14.648 -11.086 5.688 1.00 0.00 C ATOM 1369 CG PRO A 83 14.732 -11.239 4.211 1.00 0.00 C ATOM 1370 CD PRO A 83 13.313 -11.364 3.721 1.00 0.00 C ATOM 0 HA PRO A 83 13.661 -12.951 6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.524 -10.041 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.555 -11.443 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.226 -10.380 3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.315 -12.120 3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.924 -10.406 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.239 -12.058 2.884 1.00 0.00 H new ATOM 1378 N PRO A 84 13.378 -11.591 8.534 1.00 0.00 N ATOM 1379 CA PRO A 84 12.848 -11.090 9.806 1.00 0.00 C ATOM 1380 C PRO A 84 13.115 -9.602 10.032 1.00 0.00 C ATOM 1381 O PRO A 84 12.238 -8.881 10.508 1.00 0.00 O ATOM 1382 CB PRO A 84 13.584 -11.927 10.847 1.00 0.00 C ATOM 1383 CG PRO A 84 14.875 -12.299 10.200 1.00 0.00 C ATOM 1384 CD PRO A 84 14.600 -12.398 8.721 1.00 0.00 C ATOM 0 HA PRO A 84 11.762 -11.178 9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.750 -11.360 11.763 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.010 -12.812 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 84 15.641 -11.550 10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 84 15.245 -13.247 10.590 1.00 0.00 H new ATOM 0 HD2 PRO A 84 15.431 -12.008 8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.448 -13.432 8.411 1.00 0.00 H new ATOM 1392 N ASP A 85 14.329 -9.150 9.708 1.00 0.00 N ATOM 1393 CA ASP A 85 14.698 -7.747 9.897 1.00 0.00 C ATOM 1394 C ASP A 85 15.786 -7.316 8.908 1.00 0.00 C ATOM 1395 O ASP A 85 16.881 -6.917 9.310 1.00 0.00 O ATOM 1396 CB ASP A 85 15.178 -7.512 11.337 1.00 0.00 C ATOM 1397 CG ASP A 85 15.918 -8.707 11.913 1.00 0.00 C ATOM 1398 OD1 ASP A 85 16.950 -9.108 11.335 1.00 0.00 O ATOM 1399 OD2 ASP A 85 15.459 -9.247 12.938 1.00 0.00 O ATOM 0 H ASP A 85 15.069 -9.732 9.316 1.00 0.00 H new ATOM 0 HA ASP A 85 13.811 -7.143 9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.832 -6.640 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.320 -7.283 11.969 1.00 0.00 H new ATOM 1404 N HIS A 86 15.477 -7.394 7.615 1.00 0.00 N ATOM 1405 CA HIS A 86 16.428 -7.008 6.575 1.00 0.00 C ATOM 1406 C HIS A 86 16.099 -5.625 6.012 1.00 0.00 C ATOM 1407 O HIS A 86 15.145 -4.976 6.447 1.00 0.00 O ATOM 1408 CB HIS A 86 16.438 -8.049 5.450 1.00 0.00 C ATOM 1409 CG HIS A 86 17.796 -8.612 5.168 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.582 -9.207 6.134 1.00 0.00 N ATOM 1411 CD2 HIS A 86 18.509 -8.670 4.018 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.719 -9.605 5.590 1.00 0.00 C ATOM 1413 NE2 HIS A 86 19.698 -9.292 4.308 1.00 0.00 N ATOM 0 H HIS A 86 14.577 -7.720 7.263 1.00 0.00 H new ATOM 0 HA HIS A 86 17.420 -6.963 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.764 -8.864 5.714 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.047 -7.593 4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 86 18.200 -8.297 3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.527 -10.102 6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 86 20.445 -9.482 3.640 1.00 0.00 H new ATOM 1422 N ASP A 87 16.894 -5.184 5.038 1.00 0.00 N ATOM 1423 CA ASP A 87 16.693 -3.883 4.406 1.00 0.00 C ATOM 1424 C ASP A 87 15.310 -3.795 3.767 1.00 0.00 C ATOM 1425 O ASP A 87 14.681 -2.735 3.766 1.00 0.00 O ATOM 1426 CB ASP A 87 17.773 -3.640 3.350 1.00 0.00 C ATOM 1427 CG ASP A 87 18.239 -2.198 3.317 1.00 0.00 C ATOM 1428 OD1 ASP A 87 18.851 -1.749 4.309 1.00 0.00 O ATOM 1429 OD2 ASP A 87 17.993 -1.519 2.299 1.00 0.00 O ATOM 0 H ASP A 87 17.685 -5.711 4.669 1.00 0.00 H new ATOM 0 HA ASP A 87 16.764 -3.115 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.625 -4.289 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.386 -3.916 2.369 1.00 0.00 H new ATOM 1434 N VAL A 88 14.844 -4.920 3.227 1.00 0.00 N ATOM 1435 CA VAL A 88 13.537 -4.986 2.583 1.00 0.00 C ATOM 1436 C VAL A 88 12.410 -4.950 3.616 1.00 0.00 C ATOM 1437 O VAL A 88 11.410 -4.257 3.429 1.00 0.00 O ATOM 1438 CB VAL A 88 13.398 -6.261 1.724 1.00 0.00 C ATOM 1439 CG1 VAL A 88 12.088 -6.244 0.949 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.585 -6.407 0.778 1.00 0.00 C ATOM 0 H VAL A 88 15.357 -5.802 3.224 1.00 0.00 H new ATOM 0 HA VAL A 88 13.457 -4.112 1.936 1.00 0.00 H new ATOM 0 HB VAL A 88 13.389 -7.123 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.008 -7.151 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.253 -6.196 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.064 -5.373 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.466 -7.312 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.632 -5.541 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.506 -6.472 1.357 1.00 0.00 H new ATOM 1450 N VAL A 89 12.579 -5.700 4.704 1.00 0.00 N ATOM 1451 CA VAL A 89 11.575 -5.752 5.765 1.00 0.00 C ATOM 1452 C VAL A 89 11.428 -4.391 6.445 1.00 0.00 C ATOM 1453 O VAL A 89 10.311 -3.935 6.703 1.00 0.00 O ATOM 1454 CB VAL A 89 11.925 -6.819 6.823 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.810 -6.941 7.853 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.198 -8.163 6.160 1.00 0.00 C ATOM 0 H VAL A 89 13.401 -6.279 4.874 1.00 0.00 H new ATOM 0 HA VAL A 89 10.629 -6.023 5.297 1.00 0.00 H new ATOM 0 HB VAL A 89 12.832 -6.504 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.077 -7.699 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.670 -5.982 8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.884 -7.229 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.443 -8.902 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.312 -8.486 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.035 -8.064 5.469 1.00 0.00 H new ATOM 1466 N ALA A 90 12.561 -3.742 6.724 1.00 0.00 N ATOM 1467 CA ALA A 90 12.559 -2.426 7.363 1.00 0.00 C ATOM 1468 C ALA A 90 11.844 -1.393 6.494 1.00 0.00 C ATOM 1469 O ALA A 90 11.217 -0.466 7.012 1.00 0.00 O ATOM 1470 CB ALA A 90 13.981 -1.969 7.654 1.00 0.00 C ATOM 0 H ALA A 90 13.491 -4.107 6.517 1.00 0.00 H new ATOM 0 HA ALA A 90 12.018 -2.515 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.958 -0.988 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.464 -2.684 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.541 -1.907 6.721 1.00 0.00 H new ATOM 1476 N MET A 91 11.937 -1.561 5.171 1.00 0.00 N ATOM 1477 CA MET A 91 11.294 -0.644 4.231 1.00 0.00 C ATOM 1478 C MET A 91 9.780 -0.626 4.445 1.00 0.00 C ATOM 1479 O MET A 91 9.157 0.436 4.422 1.00 0.00 O ATOM 1480 CB MET A 91 11.608 -1.044 2.784 1.00 0.00 C ATOM 1481 CG MET A 91 12.955 -0.545 2.284 1.00 0.00 C ATOM 1482 SD MET A 91 13.634 -1.576 0.969 1.00 0.00 S ATOM 1483 CE MET A 91 13.896 -0.359 -0.318 1.00 0.00 C ATOM 0 H MET A 91 12.451 -2.323 4.730 1.00 0.00 H new ATOM 0 HA MET A 91 11.688 0.356 4.414 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.582 -2.131 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.824 -0.658 2.133 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.847 0.477 1.920 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.658 -0.514 3.116 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.056 -0.865 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.021 0.286 -0.392 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.771 0.244 -0.076 1.00 0.00 H new ATOM 1493 N ALA A 92 9.197 -1.808 4.662 1.00 0.00 N ATOM 1494 CA ALA A 92 7.759 -1.926 4.888 1.00 0.00 C ATOM 1495 C ALA A 92 7.370 -1.361 6.253 1.00 0.00 C ATOM 1496 O ALA A 92 6.395 -0.619 6.366 1.00 0.00 O ATOM 1497 CB ALA A 92 7.319 -3.380 4.767 1.00 0.00 C ATOM 0 H ALA A 92 9.701 -2.695 4.685 1.00 0.00 H new ATOM 0 HA ALA A 92 7.247 -1.342 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.245 -3.451 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.552 -3.749 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.845 -3.982 5.508 1.00 0.00 H new ATOM 1503 N ARG A 93 8.138 -1.712 7.287 1.00 0.00 N ATOM 1504 CA ARG A 93 7.864 -1.232 8.643 1.00 0.00 C ATOM 1505 C ARG A 93 7.829 0.298 8.696 1.00 0.00 C ATOM 1506 O ARG A 93 6.992 0.878 9.388 1.00 0.00 O ATOM 1507 CB ARG A 93 8.909 -1.765 9.628 1.00 0.00 C ATOM 1508 CG ARG A 93 8.465 -1.689 11.082 1.00 0.00 C ATOM 1509 CD ARG A 93 9.599 -1.249 11.995 1.00 0.00 C ATOM 1510 NE ARG A 93 10.072 0.101 11.679 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.853 0.827 12.483 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.238 0.348 13.664 1.00 0.00 N ATOM 1513 NH2 ARG A 93 11.251 2.037 12.107 1.00 0.00 N ATOM 0 H ARG A 93 8.951 -2.324 7.212 1.00 0.00 H new ATOM 0 HA ARG A 93 6.882 -1.607 8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.136 -2.802 9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.832 -1.199 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.633 -0.990 11.172 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.098 -2.664 11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.262 -1.281 13.031 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.427 -1.952 11.907 1.00 0.00 H new ATOM 0 HE ARG A 93 9.787 0.512 10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.936 -0.580 13.961 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.835 0.909 14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.960 2.412 11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.847 2.591 12.721 1.00 0.00 H new ATOM 1527 N LYS A 94 8.737 0.945 7.961 1.00 0.00 N ATOM 1528 CA LYS A 94 8.798 2.406 7.927 1.00 0.00 C ATOM 1529 C LYS A 94 7.498 2.998 7.381 1.00 0.00 C ATOM 1530 O LYS A 94 6.997 3.995 7.902 1.00 0.00 O ATOM 1531 CB LYS A 94 9.981 2.872 7.073 1.00 0.00 C ATOM 1532 CG LYS A 94 11.277 3.022 7.855 1.00 0.00 C ATOM 1533 CD LYS A 94 12.302 3.844 7.087 1.00 0.00 C ATOM 1534 CE LYS A 94 12.489 5.225 7.699 1.00 0.00 C ATOM 1535 NZ LYS A 94 11.245 6.046 7.630 1.00 0.00 N ATOM 0 H LYS A 94 9.438 0.481 7.383 1.00 0.00 H new ATOM 0 HA LYS A 94 8.935 2.759 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.136 2.159 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.732 3.828 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.071 3.499 8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.688 2.036 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.257 3.318 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.983 3.946 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.796 5.121 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.294 5.745 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.429 6.989 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.946 6.140 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.492 5.581 8.176 1.00 0.00 H new ATOM 1549 N LEU A 95 6.957 2.377 6.332 1.00 0.00 N ATOM 1550 CA LEU A 95 5.714 2.844 5.721 1.00 0.00 C ATOM 1551 C LEU A 95 4.505 2.480 6.581 1.00 0.00 C ATOM 1552 O LEU A 95 3.525 3.224 6.627 1.00 0.00 O ATOM 1553 CB LEU A 95 5.551 2.258 4.316 1.00 0.00 C ATOM 1554 CG LEU A 95 6.237 3.053 3.203 1.00 0.00 C ATOM 1555 CD1 LEU A 95 7.744 2.858 3.257 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.692 2.647 1.841 1.00 0.00 C ATOM 0 H LEU A 95 7.360 1.551 5.889 1.00 0.00 H new ATOM 0 HA LEU A 95 5.769 3.930 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.946 1.242 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.487 2.187 4.089 1.00 0.00 H new ATOM 0 HG LEU A 95 6.023 4.111 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.214 3.431 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.121 3.202 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.979 1.801 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.192 3.223 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.873 1.584 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.620 2.842 1.805 1.00 0.00 H new ATOM 1568 N GLN A 96 4.581 1.334 7.261 1.00 0.00 N ATOM 1569 CA GLN A 96 3.493 0.875 8.123 1.00 0.00 C ATOM 1570 C GLN A 96 3.150 1.927 9.181 1.00 0.00 C ATOM 1571 O GLN A 96 1.977 2.145 9.490 1.00 0.00 O ATOM 1572 CB GLN A 96 3.871 -0.446 8.802 1.00 0.00 C ATOM 1573 CG GLN A 96 2.691 -1.375 9.034 1.00 0.00 C ATOM 1574 CD GLN A 96 2.980 -2.433 10.082 1.00 0.00 C ATOM 1575 OE1 GLN A 96 3.217 -3.596 9.757 1.00 0.00 O ATOM 1576 NE2 GLN A 96 2.962 -2.034 11.350 1.00 0.00 N ATOM 0 H GLN A 96 5.385 0.708 7.230 1.00 0.00 H new ATOM 0 HA GLN A 96 2.614 0.715 7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.611 -0.960 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.345 -0.229 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.826 -0.788 9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.426 -1.861 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.761 -1.060 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.149 -2.702 12.098 1.00 0.00 H new ATOM 1585 N ASP A 97 4.182 2.576 9.729 1.00 0.00 N ATOM 1586 CA ASP A 97 3.991 3.607 10.749 1.00 0.00 C ATOM 1587 C ASP A 97 3.346 4.858 10.151 1.00 0.00 C ATOM 1588 O ASP A 97 2.456 5.457 10.758 1.00 0.00 O ATOM 1589 CB ASP A 97 5.330 3.969 11.408 1.00 0.00 C ATOM 1590 CG ASP A 97 5.953 2.803 12.160 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.202 2.002 12.757 1.00 0.00 O ATOM 1592 OD2 ASP A 97 7.198 2.692 12.149 1.00 0.00 O ATOM 0 H ASP A 97 5.157 2.405 9.482 1.00 0.00 H new ATOM 0 HA ASP A 97 3.321 3.205 11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.025 4.314 10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.177 4.800 12.097 1.00 0.00 H new ATOM 1597 N VAL A 98 3.794 5.243 8.956 1.00 0.00 N ATOM 1598 CA VAL A 98 3.252 6.420 8.279 1.00 0.00 C ATOM 1599 C VAL A 98 1.792 6.199 7.876 1.00 0.00 C ATOM 1600 O VAL A 98 0.977 7.122 7.943 1.00 0.00 O ATOM 1601 CB VAL A 98 4.072 6.794 7.024 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.604 8.131 6.467 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.563 6.832 7.342 1.00 0.00 C ATOM 0 H VAL A 98 4.528 4.759 8.439 1.00 0.00 H new ATOM 0 HA VAL A 98 3.313 7.243 8.991 1.00 0.00 H new ATOM 0 HB VAL A 98 3.910 6.028 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.190 8.382 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.550 8.064 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.736 8.906 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.120 7.097 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.751 7.574 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.885 5.851 7.692 1.00 0.00 H new ATOM 1613 N PHE A 99 1.467 4.970 7.462 1.00 0.00 N ATOM 1614 CA PHE A 99 0.105 4.624 7.054 1.00 0.00 C ATOM 1615 C PHE A 99 -0.892 4.909 8.177 1.00 0.00 C ATOM 1616 O PHE A 99 -1.983 5.423 7.927 1.00 0.00 O ATOM 1617 CB PHE A 99 0.028 3.149 6.648 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.163 2.817 5.791 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.114 2.989 4.417 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.332 2.333 6.361 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.206 2.684 3.626 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.427 2.027 5.575 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.364 2.202 4.206 1.00 0.00 C ATOM 0 H PHE A 99 2.131 4.198 7.401 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.157 5.243 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.937 2.882 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.001 2.535 7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.212 3.366 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.387 2.194 7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.154 2.822 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.331 1.651 6.031 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.218 1.963 3.590 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.512 4.577 9.413 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.378 4.806 10.569 1.00 0.00 C ATOM 1635 C GLU A 100 -1.686 6.293 10.734 1.00 0.00 C ATOM 1636 O GLU A 100 -2.831 6.669 10.990 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.736 4.257 11.847 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.747 3.744 12.863 1.00 0.00 C ATOM 1639 CD GLU A 100 -2.461 2.488 12.397 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -3.468 2.611 11.668 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -2.011 1.382 12.762 1.00 0.00 O ATOM 0 H GLU A 100 0.387 4.150 9.637 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.314 4.276 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.055 3.448 11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.135 5.041 12.308 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.238 3.539 13.805 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.483 4.523 13.062 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.662 7.136 10.577 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.835 8.584 10.700 1.00 0.00 C ATOM 1650 C PHE A 101 -1.804 9.105 9.637 1.00 0.00 C ATOM 1651 O PHE A 101 -2.626 9.980 9.913 1.00 0.00 O ATOM 1652 CB PHE A 101 0.514 9.301 10.574 1.00 0.00 C ATOM 1653 CG PHE A 101 1.182 9.564 11.895 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.666 10.504 12.773 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.327 8.871 12.259 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.276 10.747 13.988 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.942 9.111 13.473 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.416 10.050 14.339 1.00 0.00 C ATOM 0 H PHE A 101 0.291 6.842 10.365 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.252 8.791 11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.179 8.700 9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.365 10.249 10.057 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.224 11.053 12.504 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.743 8.136 11.586 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.862 11.481 14.663 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.833 8.565 13.745 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.895 10.239 15.288 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.712 8.549 8.426 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.590 8.948 7.328 1.00 0.00 C ATOM 1670 C ARG A 102 -3.999 8.385 7.525 1.00 0.00 C ATOM 1671 O ARG A 102 -4.982 9.021 7.147 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.022 8.484 5.980 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.763 9.618 4.997 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.691 10.572 5.506 1.00 0.00 C ATOM 1675 NE ARG A 102 -0.550 11.748 4.647 1.00 0.00 N ATOM 1676 CZ ARG A 102 -1.371 12.803 4.681 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -2.407 12.828 5.519 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -1.158 13.833 3.869 1.00 0.00 N ATOM 0 H ARG A 102 -1.039 7.822 8.183 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.648 10.036 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.089 7.948 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.717 7.776 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.455 9.204 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.688 10.169 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.940 10.890 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.263 10.048 5.563 1.00 0.00 H new ATOM 0 HE ARG A 102 0.222 11.764 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.579 12.038 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.028 13.637 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.370 13.818 3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.783 14.639 3.893 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.090 7.191 8.121 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.383 6.549 8.372 1.00 0.00 C ATOM 1694 C TYR A 103 -6.270 7.424 9.259 1.00 0.00 C ATOM 1695 O TYR A 103 -7.484 7.476 9.068 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.188 5.175 9.023 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.266 4.170 8.666 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.607 3.927 7.340 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.941 3.463 9.655 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.588 3.010 7.011 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.923 2.544 9.333 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.243 2.321 8.010 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.219 1.406 7.685 1.00 0.00 O ATOM 0 H TYR A 103 -3.285 6.651 8.438 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.879 6.418 7.410 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.219 4.776 8.724 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.162 5.297 10.106 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.097 4.464 6.554 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.694 3.635 10.692 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.840 2.834 5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.437 2.003 10.114 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.580 1.008 8.504 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.658 8.117 10.223 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.402 8.996 11.127 1.00 0.00 C ATOM 1715 C ALA A 104 -6.991 10.189 10.371 1.00 0.00 C ATOM 1716 O ALA A 104 -8.076 10.667 10.702 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.510 9.481 12.264 1.00 0.00 C ATOM 0 H ALA A 104 -4.653 8.086 10.397 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.224 8.419 11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.083 10.133 12.924 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.143 8.624 12.829 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.665 10.033 11.853 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.268 10.662 9.351 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.720 11.796 8.542 1.00 0.00 C ATOM 1725 C LYS A 105 -7.568 11.342 7.345 1.00 0.00 C ATOM 1726 O LYS A 105 -8.190 12.171 6.679 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.518 12.611 8.047 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.898 13.505 9.113 1.00 0.00 C ATOM 1729 CD LYS A 105 -5.834 14.639 9.512 1.00 0.00 C ATOM 1730 CE LYS A 105 -5.470 15.943 8.814 1.00 0.00 C ATOM 1731 NZ LYS A 105 -5.698 17.131 9.686 1.00 0.00 N ATOM 0 H LYS A 105 -5.367 10.276 9.067 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.346 12.421 9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.757 11.927 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.832 13.229 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.654 12.908 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.962 13.920 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.860 14.368 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.794 14.781 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.423 15.912 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.061 16.043 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.437 17.995 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.702 17.177 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.114 17.050 10.543 1.00 0.00 H new ATOM 1745 N MET A 106 -7.590 10.032 7.070 1.00 0.00 N ATOM 1746 CA MET A 106 -8.364 9.490 5.949 1.00 0.00 C ATOM 1747 C MET A 106 -9.834 9.923 6.017 1.00 0.00 C ATOM 1748 O MET A 106 -10.376 10.429 5.033 1.00 0.00 O ATOM 1749 CB MET A 106 -8.269 7.958 5.917 1.00 0.00 C ATOM 1750 CG MET A 106 -7.582 7.414 4.673 1.00 0.00 C ATOM 1751 SD MET A 106 -8.174 5.775 4.209 1.00 0.00 S ATOM 1752 CE MET A 106 -8.900 6.113 2.607 1.00 0.00 C ATOM 0 H MET A 106 -7.082 9.330 7.608 1.00 0.00 H new ATOM 0 HA MET A 106 -7.935 9.893 5.031 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.726 7.618 6.799 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.273 7.539 5.979 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.744 8.102 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.507 7.371 4.846 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.986 5.184 2.043 1.00 0.00 H new ATOM 0 HE2 MET A 106 -9.890 6.549 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 106 -8.267 6.812 2.061 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.500 9.731 7.178 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.911 10.107 7.359 1.00 0.00 C ATOM 1764 C PRO A 107 -12.210 11.531 6.886 1.00 0.00 C ATOM 1765 O PRO A 107 -11.451 12.460 7.167 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.113 9.995 8.870 1.00 0.00 C ATOM 1767 CG PRO A 107 -11.125 8.973 9.308 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.933 9.131 8.404 1.00 0.00 C ATOM 0 HA PRO A 107 -12.576 9.473 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.940 10.951 9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.131 9.691 9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.846 9.123 10.351 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.542 7.969 9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.174 9.774 8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.457 8.172 8.198 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.319 11.691 6.163 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.721 12.999 5.644 1.00 0.00 C ATOM 1778 C ASP A 108 -13.984 13.991 6.780 1.00 0.00 C ATOM 1779 O ASP A 108 -13.296 15.005 6.897 1.00 0.00 O ATOM 1780 CB ASP A 108 -14.967 12.859 4.762 1.00 0.00 C ATOM 1781 CG ASP A 108 -14.631 12.842 3.282 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -13.951 11.896 2.835 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -15.050 13.775 2.568 1.00 0.00 O ATOM 0 H ASP A 108 -13.955 10.931 5.923 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.900 13.389 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.492 11.940 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -15.648 13.685 4.967 1.00 0.00 H new