USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 521 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 32 CYS SG : rot -170:sc= -3.22! USER MOD Set 1.2: A 36 ASN : amide:sc=-0.00953 X(o=-5,f=-4.6) USER MOD Set 1.3: A 43 CYS SG : rot 80:sc= -1.79 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 47:sc= 0.907 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.7!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -160:sc= -0.708 (180deg=-1.2) USER MOD Single : A 35 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.35) USER MOD Single : A 37 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.12) USER MOD Single : A 38 ASN : amide:sc= -0.0015 X(o=-0.0015,f=-0.0015) USER MOD Single : A 39 ASN : amide:sc= -1.42! C(o=-1.4!,f=-0.16!) USER MOD Single : A 44 CYS SG : rot 54:sc= 1.39 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.14) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.332 K(o=0.33,f=-6.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.079 -8.801 -27.508 1.00 0.00 N ATOM 2 CA GLY A 1 0.532 -9.455 -26.331 1.00 0.00 C ATOM 3 C GLY A 1 0.221 -8.436 -25.233 1.00 0.00 C ATOM 4 O GLY A 1 -0.849 -7.830 -25.229 1.00 0.00 O ATOM 0 H1 GLY A 1 1.282 -9.513 -28.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.390 -8.115 -27.876 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.958 -8.307 -27.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.376 -9.995 -26.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.242 -10.193 -25.957 1.00 0.00 H new ATOM 8 N SER A 2 1.175 -8.280 -24.327 1.00 0.00 N ATOM 9 CA SER A 2 1.016 -7.345 -23.226 1.00 0.00 C ATOM 10 C SER A 2 2.367 -7.093 -22.554 1.00 0.00 C ATOM 11 O SER A 2 3.310 -7.862 -22.739 1.00 0.00 O ATOM 12 CB SER A 2 0.003 -7.865 -22.204 1.00 0.00 C ATOM 13 OG SER A 2 -0.673 -6.803 -21.536 1.00 0.00 O ATOM 0 H SER A 2 2.061 -8.785 -24.333 1.00 0.00 H new ATOM 0 HA SER A 2 0.637 -6.405 -23.627 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.727 -8.500 -22.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.515 -8.488 -21.470 1.00 0.00 H new ATOM 0 HG SER A 2 -1.312 -7.175 -20.893 1.00 0.00 H new ATOM 19 N SER A 3 2.419 -6.014 -21.787 1.00 0.00 N ATOM 20 CA SER A 3 3.639 -5.652 -21.087 1.00 0.00 C ATOM 21 C SER A 3 3.366 -4.495 -20.123 1.00 0.00 C ATOM 22 O SER A 3 2.347 -3.815 -20.238 1.00 0.00 O ATOM 23 CB SER A 3 4.748 -5.272 -22.071 1.00 0.00 C ATOM 24 OG SER A 3 5.595 -6.378 -22.373 1.00 0.00 O ATOM 0 H SER A 3 1.636 -5.379 -21.635 1.00 0.00 H new ATOM 0 HA SER A 3 3.976 -6.519 -20.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.303 -4.894 -22.991 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.345 -4.463 -21.650 1.00 0.00 H new ATOM 0 HG SER A 3 5.046 -7.165 -22.573 1.00 0.00 H new ATOM 30 N GLY A 4 4.293 -4.307 -19.196 1.00 0.00 N ATOM 31 CA GLY A 4 4.165 -3.245 -18.213 1.00 0.00 C ATOM 32 C GLY A 4 5.128 -2.096 -18.519 1.00 0.00 C ATOM 33 O GLY A 4 5.065 -1.497 -19.592 1.00 0.00 O ATOM 0 H GLY A 4 5.137 -4.873 -19.105 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.140 -2.873 -18.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.368 -3.640 -17.217 1.00 0.00 H new ATOM 37 N SER A 5 5.997 -1.823 -17.557 1.00 0.00 N ATOM 38 CA SER A 5 6.972 -0.757 -17.710 1.00 0.00 C ATOM 39 C SER A 5 7.930 -0.749 -16.517 1.00 0.00 C ATOM 40 O SER A 5 7.644 -0.133 -15.491 1.00 0.00 O ATOM 41 CB SER A 5 6.285 0.603 -17.848 1.00 0.00 C ATOM 42 OG SER A 5 7.220 1.654 -18.076 1.00 0.00 O ATOM 0 H SER A 5 6.046 -2.322 -16.669 1.00 0.00 H new ATOM 0 HA SER A 5 7.539 -0.941 -18.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.572 0.567 -18.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.715 0.815 -16.943 1.00 0.00 H new ATOM 0 HG SER A 5 6.741 2.505 -18.160 1.00 0.00 H new ATOM 48 N SER A 6 9.048 -1.439 -16.691 1.00 0.00 N ATOM 49 CA SER A 6 10.049 -1.518 -15.642 1.00 0.00 C ATOM 50 C SER A 6 9.478 -2.253 -14.428 1.00 0.00 C ATOM 51 O SER A 6 8.525 -1.786 -13.807 1.00 0.00 O ATOM 52 CB SER A 6 10.536 -0.125 -15.238 1.00 0.00 C ATOM 53 OG SER A 6 11.844 0.147 -15.734 1.00 0.00 O ATOM 0 H SER A 6 9.282 -1.948 -17.543 1.00 0.00 H new ATOM 0 HA SER A 6 10.904 -2.074 -16.027 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.842 0.626 -15.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.536 -0.042 -14.151 1.00 0.00 H new ATOM 0 HG SER A 6 12.119 1.046 -15.456 1.00 0.00 H new ATOM 59 N GLY A 7 10.084 -3.392 -14.126 1.00 0.00 N ATOM 60 CA GLY A 7 9.647 -4.196 -12.997 1.00 0.00 C ATOM 61 C GLY A 7 10.614 -4.058 -11.819 1.00 0.00 C ATOM 62 O GLY A 7 11.538 -4.856 -11.673 1.00 0.00 O ATOM 0 H GLY A 7 10.874 -3.777 -14.644 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.648 -3.886 -12.690 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.579 -5.242 -13.296 1.00 0.00 H new ATOM 66 N GLN A 8 10.367 -3.040 -11.008 1.00 0.00 N ATOM 67 CA GLN A 8 11.204 -2.787 -9.848 1.00 0.00 C ATOM 68 C GLN A 8 10.562 -1.726 -8.951 1.00 0.00 C ATOM 69 O GLN A 8 10.079 -0.706 -9.439 1.00 0.00 O ATOM 70 CB GLN A 8 12.614 -2.369 -10.269 1.00 0.00 C ATOM 71 CG GLN A 8 12.600 -0.994 -10.940 1.00 0.00 C ATOM 72 CD GLN A 8 13.579 -0.947 -12.115 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.215 -1.928 -12.465 1.00 0.00 O ATOM 74 NE2 GLN A 8 13.662 0.243 -12.703 1.00 0.00 N ATOM 0 H GLN A 8 9.599 -2.380 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 8 11.290 -3.712 -9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.266 -2.345 -9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.027 -3.108 -10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.593 -0.767 -11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.864 -0.227 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.101 1.022 -12.359 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.287 0.376 -13.498 1.00 0.00 H new ATOM 83 N ILE A 9 10.577 -2.004 -7.656 1.00 0.00 N ATOM 84 CA ILE A 9 10.002 -1.087 -6.687 1.00 0.00 C ATOM 85 C ILE A 9 10.475 0.335 -6.995 1.00 0.00 C ATOM 86 O ILE A 9 11.610 0.537 -7.424 1.00 0.00 O ATOM 87 CB ILE A 9 10.319 -1.545 -5.262 1.00 0.00 C ATOM 88 CG1 ILE A 9 9.337 -2.624 -4.801 1.00 0.00 C ATOM 89 CG2 ILE A 9 10.358 -0.356 -4.299 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.975 -2.016 -4.462 1.00 0.00 C ATOM 0 H ILE A 9 10.978 -2.852 -7.255 1.00 0.00 H new ATOM 0 HA ILE A 9 8.915 -1.086 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 9 11.313 -1.993 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.220 -3.373 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.738 -3.137 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.585 -0.710 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.128 0.346 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.389 0.143 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.296 -2.804 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.092 -1.285 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.566 -1.525 -5.345 1.00 0.00 H new ATOM 102 N ASP A 10 9.580 1.285 -6.764 1.00 0.00 N ATOM 103 CA ASP A 10 9.891 2.682 -7.012 1.00 0.00 C ATOM 104 C ASP A 10 9.872 3.447 -5.687 1.00 0.00 C ATOM 105 O ASP A 10 8.806 3.799 -5.185 1.00 0.00 O ATOM 106 CB ASP A 10 8.857 3.321 -7.941 1.00 0.00 C ATOM 107 CG ASP A 10 9.143 4.773 -8.328 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.755 5.473 -7.492 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.745 5.150 -9.451 1.00 0.00 O ATOM 0 H ASP A 10 8.640 1.114 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 10 10.874 2.730 -7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.791 2.725 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.881 3.275 -7.459 1.00 0.00 H new ATOM 114 N PHE A 11 11.064 3.682 -5.159 1.00 0.00 N ATOM 115 CA PHE A 11 11.198 4.398 -3.902 1.00 0.00 C ATOM 116 C PHE A 11 10.586 5.797 -4.000 1.00 0.00 C ATOM 117 O PHE A 11 9.934 6.261 -3.066 1.00 0.00 O ATOM 118 CB PHE A 11 12.696 4.529 -3.619 1.00 0.00 C ATOM 119 CG PHE A 11 13.284 3.360 -2.827 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.667 2.148 -2.844 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.424 3.532 -2.106 1.00 0.00 C ATOM 122 CE1 PHE A 11 13.212 1.063 -2.108 1.00 0.00 C ATOM 123 CE2 PHE A 11 14.970 2.447 -1.371 1.00 0.00 C ATOM 124 CZ PHE A 11 14.353 1.235 -1.388 1.00 0.00 C ATOM 0 H PHE A 11 11.946 3.389 -5.579 1.00 0.00 H new ATOM 0 HA PHE A 11 10.680 3.858 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.228 4.617 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.872 5.453 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.762 2.011 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.914 4.494 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.721 0.101 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.875 2.584 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.769 0.409 -0.830 1.00 0.00 H new ATOM 134 N GLN A 12 10.817 6.431 -5.141 1.00 0.00 N ATOM 135 CA GLN A 12 10.296 7.767 -5.374 1.00 0.00 C ATOM 136 C GLN A 12 8.773 7.776 -5.230 1.00 0.00 C ATOM 137 O GLN A 12 8.203 8.721 -4.686 1.00 0.00 O ATOM 138 CB GLN A 12 10.720 8.289 -6.748 1.00 0.00 C ATOM 139 CG GLN A 12 10.575 9.810 -6.825 1.00 0.00 C ATOM 140 CD GLN A 12 10.813 10.312 -8.251 1.00 0.00 C ATOM 141 OE1 GLN A 12 11.634 9.794 -8.990 1.00 0.00 O ATOM 142 NE2 GLN A 12 10.051 11.347 -8.595 1.00 0.00 N ATOM 0 H GLN A 12 11.358 6.044 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 12 10.716 8.435 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.755 8.008 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.111 7.822 -7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.578 10.101 -6.495 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.286 10.281 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.383 11.733 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.135 11.755 -9.526 1.00 0.00 H new ATOM 151 N VAL A 13 8.158 6.712 -5.725 1.00 0.00 N ATOM 152 CA VAL A 13 6.712 6.586 -5.659 1.00 0.00 C ATOM 153 C VAL A 13 6.308 6.139 -4.252 1.00 0.00 C ATOM 154 O VAL A 13 5.249 6.521 -3.756 1.00 0.00 O ATOM 155 CB VAL A 13 6.219 5.636 -6.752 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.715 5.387 -6.624 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.570 6.170 -8.142 1.00 0.00 C ATOM 0 H VAL A 13 8.635 5.929 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 13 6.236 7.549 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 13 6.729 4.682 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.390 4.709 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.501 4.942 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.181 6.333 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.208 5.476 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.101 7.143 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.652 6.272 -8.230 1.00 0.00 H new ATOM 167 N LEU A 14 7.173 5.337 -3.649 1.00 0.00 N ATOM 168 CA LEU A 14 6.919 4.835 -2.309 1.00 0.00 C ATOM 169 C LEU A 14 7.035 5.986 -1.308 1.00 0.00 C ATOM 170 O LEU A 14 6.086 6.279 -0.581 1.00 0.00 O ATOM 171 CB LEU A 14 7.839 3.653 -1.997 1.00 0.00 C ATOM 172 CG LEU A 14 8.225 3.473 -0.528 1.00 0.00 C ATOM 173 CD1 LEU A 14 7.226 2.567 0.194 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.661 2.963 -0.396 1.00 0.00 C ATOM 0 H LEU A 14 8.050 5.022 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 14 5.903 4.447 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.352 2.739 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.753 3.765 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 14 8.185 4.448 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.524 2.455 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.232 3.011 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.210 1.588 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.909 2.844 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.754 2.002 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.345 3.679 -0.851 1.00 0.00 H new ATOM 186 N HIS A 15 8.205 6.607 -1.301 1.00 0.00 N ATOM 187 CA HIS A 15 8.457 7.719 -0.400 1.00 0.00 C ATOM 188 C HIS A 15 7.215 8.609 -0.323 1.00 0.00 C ATOM 189 O HIS A 15 6.721 8.899 0.765 1.00 0.00 O ATOM 190 CB HIS A 15 9.711 8.487 -0.822 1.00 0.00 C ATOM 191 CG HIS A 15 10.132 9.559 0.154 1.00 0.00 C ATOM 192 ND1 HIS A 15 9.981 10.910 -0.106 1.00 0.00 N ATOM 193 CD2 HIS A 15 10.700 9.466 1.391 1.00 0.00 C ATOM 194 CE1 HIS A 15 10.441 11.590 0.935 1.00 0.00 C ATOM 195 NE2 HIS A 15 10.886 10.693 1.861 1.00 0.00 N ATOM 0 H HIS A 15 8.989 6.361 -1.905 1.00 0.00 H new ATOM 0 HA HIS A 15 8.653 7.341 0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.532 7.781 -0.947 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.534 8.945 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.955 8.549 1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.460 12.665 1.033 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.295 10.927 2.766 1.00 0.00 H new ATOM 203 N ASP A 16 6.746 9.017 -1.493 1.00 0.00 N ATOM 204 CA ASP A 16 5.571 9.868 -1.573 1.00 0.00 C ATOM 205 C ASP A 16 4.467 9.290 -0.685 1.00 0.00 C ATOM 206 O ASP A 16 3.847 10.015 0.092 1.00 0.00 O ATOM 207 CB ASP A 16 5.038 9.939 -3.005 1.00 0.00 C ATOM 208 CG ASP A 16 4.040 11.068 -3.268 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.049 11.138 -2.509 1.00 0.00 O ATOM 210 OD2 ASP A 16 4.289 11.835 -4.223 1.00 0.00 O ATOM 0 H ASP A 16 7.159 8.774 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 16 5.856 10.868 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.882 10.054 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.561 8.989 -3.247 1.00 0.00 H new ATOM 215 N LEU A 17 4.255 7.990 -0.830 1.00 0.00 N ATOM 216 CA LEU A 17 3.237 7.307 -0.051 1.00 0.00 C ATOM 217 C LEU A 17 3.692 7.214 1.407 1.00 0.00 C ATOM 218 O LEU A 17 2.937 7.545 2.319 1.00 0.00 O ATOM 219 CB LEU A 17 2.902 5.952 -0.678 1.00 0.00 C ATOM 220 CG LEU A 17 2.385 5.988 -2.118 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.568 4.631 -2.801 1.00 0.00 C ATOM 222 CD2 LEU A 17 0.931 6.463 -2.167 1.00 0.00 C ATOM 0 H LEU A 17 4.771 7.392 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 17 2.307 7.875 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.797 5.330 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.153 5.462 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 17 2.979 6.712 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.192 4.684 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.626 4.371 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.016 3.869 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.588 6.479 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.306 5.782 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.861 7.466 -1.746 1.00 0.00 H new ATOM 234 N ARG A 18 4.926 6.762 1.580 1.00 0.00 N ATOM 235 CA ARG A 18 5.491 6.622 2.911 1.00 0.00 C ATOM 236 C ARG A 18 5.084 7.807 3.789 1.00 0.00 C ATOM 237 O ARG A 18 4.970 7.673 5.006 1.00 0.00 O ATOM 238 CB ARG A 18 7.018 6.539 2.855 1.00 0.00 C ATOM 239 CG ARG A 18 7.473 5.186 2.305 1.00 0.00 C ATOM 240 CD ARG A 18 7.289 4.080 3.346 1.00 0.00 C ATOM 241 NE ARG A 18 5.906 3.557 3.290 1.00 0.00 N ATOM 242 CZ ARG A 18 5.297 2.931 4.307 1.00 0.00 C ATOM 243 NH1 ARG A 18 5.946 2.748 5.465 1.00 0.00 N ATOM 244 NH2 ARG A 18 4.040 2.490 4.165 1.00 0.00 N ATOM 0 H ARG A 18 5.550 6.488 0.821 1.00 0.00 H new ATOM 0 HA ARG A 18 5.103 5.698 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.407 7.340 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.431 6.688 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.903 4.944 1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.521 5.243 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.999 3.274 3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.500 4.468 4.342 1.00 0.00 H new ATOM 0 HE ARG A 18 5.383 3.681 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.903 3.085 5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.483 2.272 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.547 2.631 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.576 2.014 4.939 1.00 0.00 H new ATOM 258 N GLN A 19 4.875 8.942 3.136 1.00 0.00 N ATOM 259 CA GLN A 19 4.483 10.150 3.842 1.00 0.00 C ATOM 260 C GLN A 19 2.994 10.101 4.191 1.00 0.00 C ATOM 261 O GLN A 19 2.612 10.359 5.331 1.00 0.00 O ATOM 262 CB GLN A 19 4.812 11.397 3.019 1.00 0.00 C ATOM 263 CG GLN A 19 6.273 11.809 3.208 1.00 0.00 C ATOM 264 CD GLN A 19 6.378 13.083 4.050 1.00 0.00 C ATOM 265 OE1 GLN A 19 5.733 13.236 5.074 1.00 0.00 O ATOM 266 NE2 GLN A 19 7.225 13.985 3.562 1.00 0.00 N ATOM 0 H GLN A 19 4.970 9.050 2.126 1.00 0.00 H new ATOM 0 HA GLN A 19 5.052 10.206 4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.619 11.202 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.158 12.217 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.823 11.002 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.738 11.972 2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.734 13.793 2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.366 14.869 4.051 1.00 0.00 H new ATOM 275 N LYS A 20 2.194 9.767 3.189 1.00 0.00 N ATOM 276 CA LYS A 20 0.756 9.681 3.376 1.00 0.00 C ATOM 277 C LYS A 20 0.435 8.494 4.287 1.00 0.00 C ATOM 278 O LYS A 20 -0.430 8.589 5.155 1.00 0.00 O ATOM 279 CB LYS A 20 0.042 9.630 2.024 1.00 0.00 C ATOM 280 CG LYS A 20 0.157 10.968 1.292 1.00 0.00 C ATOM 281 CD LYS A 20 -0.015 10.785 -0.217 1.00 0.00 C ATOM 282 CE LYS A 20 0.062 12.128 -0.945 1.00 0.00 C ATOM 283 NZ LYS A 20 -1.291 12.592 -1.322 1.00 0.00 N ATOM 0 H LYS A 20 2.515 9.553 2.245 1.00 0.00 H new ATOM 0 HA LYS A 20 0.382 10.576 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.473 8.838 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.009 9.382 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.599 11.658 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.128 11.417 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.758 10.117 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.975 10.311 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.541 12.868 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.681 12.030 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.220 13.505 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.735 11.893 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.870 12.705 -0.466 1.00 0.00 H new ATOM 297 N PHE A 21 1.150 7.402 4.056 1.00 0.00 N ATOM 298 CA PHE A 21 0.952 6.198 4.845 1.00 0.00 C ATOM 299 C PHE A 21 2.276 5.700 5.428 1.00 0.00 C ATOM 300 O PHE A 21 2.796 4.669 5.004 1.00 0.00 O ATOM 301 CB PHE A 21 0.391 5.132 3.901 1.00 0.00 C ATOM 302 CG PHE A 21 -0.852 5.577 3.129 1.00 0.00 C ATOM 303 CD1 PHE A 21 -2.089 5.377 3.658 1.00 0.00 C ATOM 304 CD2 PHE A 21 -0.721 6.173 1.913 1.00 0.00 C ATOM 305 CE1 PHE A 21 -3.243 5.790 2.941 1.00 0.00 C ATOM 306 CE2 PHE A 21 -1.876 6.586 1.197 1.00 0.00 C ATOM 307 CZ PHE A 21 -3.112 6.385 1.726 1.00 0.00 C ATOM 0 H PHE A 21 1.867 7.326 3.334 1.00 0.00 H new ATOM 0 HA PHE A 21 0.276 6.404 5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.166 4.848 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.147 4.241 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.194 4.904 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.261 6.332 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.225 5.631 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.772 7.060 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.990 6.698 1.181 1.00 0.00 H new ATOM 317 N PRO A 22 2.797 6.476 6.415 1.00 0.00 N ATOM 318 CA PRO A 22 4.051 6.125 7.061 1.00 0.00 C ATOM 319 C PRO A 22 3.860 4.958 8.031 1.00 0.00 C ATOM 320 O PRO A 22 4.730 4.097 8.152 1.00 0.00 O ATOM 321 CB PRO A 22 4.510 7.400 7.748 1.00 0.00 C ATOM 322 CG PRO A 22 3.278 8.284 7.854 1.00 0.00 C ATOM 323 CD PRO A 22 2.209 7.704 6.942 1.00 0.00 C ATOM 0 HA PRO A 22 4.805 5.776 6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.923 7.185 8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.295 7.892 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.922 8.321 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.516 9.307 7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.289 7.499 7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.954 8.397 6.140 1.00 0.00 H new ATOM 331 N GLU A 23 2.715 4.966 8.698 1.00 0.00 N ATOM 332 CA GLU A 23 2.398 3.918 9.654 1.00 0.00 C ATOM 333 C GLU A 23 2.227 2.578 8.936 1.00 0.00 C ATOM 334 O GLU A 23 2.774 1.565 9.368 1.00 0.00 O ATOM 335 CB GLU A 23 1.147 4.272 10.460 1.00 0.00 C ATOM 336 CG GLU A 23 -0.077 4.390 9.550 1.00 0.00 C ATOM 337 CD GLU A 23 -1.235 5.079 10.274 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.240 6.328 10.277 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.090 4.339 10.809 1.00 0.00 O ATOM 0 H GLU A 23 1.995 5.682 8.595 1.00 0.00 H new ATOM 0 HA GLU A 23 3.228 3.829 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.969 3.508 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.304 5.213 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.184 4.955 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.387 3.398 9.222 1.00 0.00 H new ATOM 346 N VAL A 24 1.466 2.616 7.852 1.00 0.00 N ATOM 347 CA VAL A 24 1.217 1.418 7.070 1.00 0.00 C ATOM 348 C VAL A 24 2.534 0.668 6.859 1.00 0.00 C ATOM 349 O VAL A 24 3.582 1.286 6.678 1.00 0.00 O ATOM 350 CB VAL A 24 0.520 1.784 5.758 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.406 0.566 4.839 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.854 2.404 6.021 1.00 0.00 C ATOM 0 H VAL A 24 1.014 3.458 7.497 1.00 0.00 H new ATOM 0 HA VAL A 24 0.543 0.747 7.604 1.00 0.00 H new ATOM 0 HB VAL A 24 1.132 2.530 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.093 0.854 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.402 0.188 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.173 -0.212 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.328 2.655 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.478 1.691 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.737 3.308 6.618 1.00 0.00 H new ATOM 362 N PRO A 25 2.435 -0.688 6.891 1.00 0.00 N ATOM 363 CA PRO A 25 3.606 -1.528 6.705 1.00 0.00 C ATOM 364 C PRO A 25 4.031 -1.559 5.235 1.00 0.00 C ATOM 365 O PRO A 25 3.362 -2.171 4.404 1.00 0.00 O ATOM 366 CB PRO A 25 3.198 -2.893 7.234 1.00 0.00 C ATOM 367 CG PRO A 25 1.678 -2.891 7.265 1.00 0.00 C ATOM 368 CD PRO A 25 1.211 -1.454 7.103 1.00 0.00 C ATOM 0 HA PRO A 25 4.481 -1.154 7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.574 -3.689 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.609 -3.065 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.279 -3.515 6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.315 -3.307 8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.529 -1.352 6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.676 -1.109 7.988 1.00 0.00 H new ATOM 376 N GLU A 26 5.141 -0.890 4.960 1.00 0.00 N ATOM 377 CA GLU A 26 5.663 -0.832 3.605 1.00 0.00 C ATOM 378 C GLU A 26 5.484 -2.183 2.909 1.00 0.00 C ATOM 379 O GLU A 26 4.905 -2.256 1.827 1.00 0.00 O ATOM 380 CB GLU A 26 7.133 -0.405 3.602 1.00 0.00 C ATOM 381 CG GLU A 26 7.619 -0.127 2.178 1.00 0.00 C ATOM 382 CD GLU A 26 8.615 -1.195 1.721 1.00 0.00 C ATOM 383 OE1 GLU A 26 8.472 -2.343 2.193 1.00 0.00 O ATOM 384 OE2 GLU A 26 9.496 -0.839 0.909 1.00 0.00 O ATOM 0 H GLU A 26 5.693 -0.384 5.652 1.00 0.00 H new ATOM 0 HA GLU A 26 5.099 -0.082 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.257 0.489 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.744 -1.187 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.768 -0.103 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.089 0.856 2.135 1.00 0.00 H new ATOM 391 N VAL A 27 5.991 -3.220 3.560 1.00 0.00 N ATOM 392 CA VAL A 27 5.894 -4.564 3.017 1.00 0.00 C ATOM 393 C VAL A 27 4.517 -4.753 2.377 1.00 0.00 C ATOM 394 O VAL A 27 4.410 -5.281 1.272 1.00 0.00 O ATOM 395 CB VAL A 27 6.191 -5.593 4.111 1.00 0.00 C ATOM 396 CG1 VAL A 27 5.700 -5.100 5.474 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.579 -6.952 3.766 1.00 0.00 C ATOM 0 H VAL A 27 6.470 -3.156 4.458 1.00 0.00 H new ATOM 0 HA VAL A 27 6.639 -4.715 2.236 1.00 0.00 H new ATOM 0 HB VAL A 27 7.272 -5.718 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.923 -5.849 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.203 -4.167 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.624 -4.933 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.805 -7.665 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.498 -6.850 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.997 -7.311 2.826 1.00 0.00 H new ATOM 407 N VAL A 28 3.498 -4.311 3.099 1.00 0.00 N ATOM 408 CA VAL A 28 2.133 -4.424 2.616 1.00 0.00 C ATOM 409 C VAL A 28 1.940 -3.487 1.422 1.00 0.00 C ATOM 410 O VAL A 28 1.437 -3.900 0.378 1.00 0.00 O ATOM 411 CB VAL A 28 1.150 -4.151 3.756 1.00 0.00 C ATOM 412 CG1 VAL A 28 -0.276 -3.990 3.223 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.218 -5.252 4.815 1.00 0.00 C ATOM 0 H VAL A 28 3.591 -3.874 4.016 1.00 0.00 H new ATOM 0 HA VAL A 28 1.933 -5.438 2.269 1.00 0.00 H new ATOM 0 HB VAL A 28 1.439 -3.213 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.955 -3.797 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.311 -3.155 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.579 -4.904 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.509 -5.033 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.967 -6.210 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.226 -5.299 5.227 1.00 0.00 H new ATOM 423 N VAL A 29 2.349 -2.242 1.616 1.00 0.00 N ATOM 424 CA VAL A 29 2.228 -1.242 0.568 1.00 0.00 C ATOM 425 C VAL A 29 2.872 -1.773 -0.714 1.00 0.00 C ATOM 426 O VAL A 29 2.261 -1.735 -1.782 1.00 0.00 O ATOM 427 CB VAL A 29 2.832 0.083 1.036 1.00 0.00 C ATOM 428 CG1 VAL A 29 2.723 1.151 -0.054 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.177 0.556 2.335 1.00 0.00 C ATOM 0 H VAL A 29 2.765 -1.903 2.483 1.00 0.00 H new ATOM 0 HA VAL A 29 1.179 -1.045 0.348 1.00 0.00 H new ATOM 0 HB VAL A 29 3.890 -0.084 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.160 2.083 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.258 0.819 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.674 1.313 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.625 1.500 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.108 0.697 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.330 -0.192 3.113 1.00 0.00 H new ATOM 439 N SER A 30 4.097 -2.256 -0.568 1.00 0.00 N ATOM 440 CA SER A 30 4.830 -2.794 -1.701 1.00 0.00 C ATOM 441 C SER A 30 3.908 -3.667 -2.554 1.00 0.00 C ATOM 442 O SER A 30 3.607 -3.326 -3.697 1.00 0.00 O ATOM 443 CB SER A 30 6.045 -3.600 -1.238 1.00 0.00 C ATOM 444 OG SER A 30 6.435 -4.577 -2.199 1.00 0.00 O ATOM 0 H SER A 30 4.601 -2.286 0.319 1.00 0.00 H new ATOM 0 HA SER A 30 5.189 -1.960 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.879 -2.923 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.815 -4.092 -0.293 1.00 0.00 H new ATOM 0 HG SER A 30 7.215 -5.069 -1.867 1.00 0.00 H new ATOM 450 N ARG A 31 3.484 -4.776 -1.966 1.00 0.00 N ATOM 451 CA ARG A 31 2.602 -5.700 -2.658 1.00 0.00 C ATOM 452 C ARG A 31 1.563 -4.930 -3.476 1.00 0.00 C ATOM 453 O ARG A 31 1.198 -5.349 -4.574 1.00 0.00 O ATOM 454 CB ARG A 31 1.883 -6.620 -1.669 1.00 0.00 C ATOM 455 CG ARG A 31 1.762 -8.039 -2.229 1.00 0.00 C ATOM 456 CD ARG A 31 0.874 -8.907 -1.335 1.00 0.00 C ATOM 457 NE ARG A 31 -0.242 -9.472 -2.127 1.00 0.00 N ATOM 458 CZ ARG A 31 -1.307 -10.085 -1.592 1.00 0.00 C ATOM 459 NH1 ARG A 31 -1.407 -10.216 -0.262 1.00 0.00 N ATOM 460 NH2 ARG A 31 -2.271 -10.568 -2.387 1.00 0.00 N ATOM 0 H ARG A 31 3.735 -5.055 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 31 3.215 -6.308 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.428 -6.643 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.890 -6.224 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.346 -8.002 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.752 -8.488 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.463 -9.712 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.481 -8.312 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.198 -9.390 -3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.673 -9.849 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.218 -10.683 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.194 -10.469 -3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.082 -11.035 -1.980 1.00 0.00 H new ATOM 474 N CYS A 32 1.117 -3.819 -2.910 1.00 0.00 N ATOM 475 CA CYS A 32 0.127 -2.987 -3.574 1.00 0.00 C ATOM 476 C CYS A 32 0.767 -2.386 -4.827 1.00 0.00 C ATOM 477 O CYS A 32 0.235 -2.526 -5.928 1.00 0.00 O ATOM 478 CB CYS A 32 -0.422 -1.907 -2.639 1.00 0.00 C ATOM 479 SG CYS A 32 -2.038 -1.308 -3.256 1.00 0.00 S ATOM 0 H CYS A 32 1.422 -3.475 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.730 -3.596 -3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.534 -2.309 -1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.282 -1.078 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.396 -0.255 -2.583 1.00 0.00 H new ATOM 485 N MET A 33 1.899 -1.730 -4.618 1.00 0.00 N ATOM 486 CA MET A 33 2.616 -1.107 -5.717 1.00 0.00 C ATOM 487 C MET A 33 2.897 -2.117 -6.832 1.00 0.00 C ATOM 488 O MET A 33 2.498 -1.911 -7.977 1.00 0.00 O ATOM 489 CB MET A 33 3.938 -0.533 -5.204 1.00 0.00 C ATOM 490 CG MET A 33 3.704 0.747 -4.398 1.00 0.00 C ATOM 491 SD MET A 33 4.204 2.169 -5.353 1.00 0.00 S ATOM 492 CE MET A 33 5.975 1.943 -5.342 1.00 0.00 C ATOM 0 H MET A 33 2.337 -1.617 -3.704 1.00 0.00 H new ATOM 0 HA MET A 33 1.996 -0.308 -6.124 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.442 -1.272 -4.581 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.598 -0.322 -6.046 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.651 0.831 -4.130 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.268 0.708 -3.466 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.464 2.890 -5.571 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.292 1.599 -4.357 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.252 1.201 -6.091 1.00 0.00 H new ATOM 502 N LEU A 34 3.581 -3.188 -6.457 1.00 0.00 N ATOM 503 CA LEU A 34 3.919 -4.232 -7.410 1.00 0.00 C ATOM 504 C LEU A 34 2.649 -4.690 -8.130 1.00 0.00 C ATOM 505 O LEU A 34 2.717 -5.227 -9.235 1.00 0.00 O ATOM 506 CB LEU A 34 4.677 -5.366 -6.717 1.00 0.00 C ATOM 507 CG LEU A 34 6.193 -5.192 -6.609 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.844 -6.430 -5.989 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.803 -4.844 -7.968 1.00 0.00 C ATOM 0 H LEU A 34 3.910 -3.355 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 34 4.596 -3.847 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.273 -5.486 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.475 -6.293 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 34 6.394 -4.354 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.922 -6.280 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.439 -6.592 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.636 -7.301 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.881 -4.726 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.593 -5.645 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.370 -3.913 -8.334 1.00 0.00 H new ATOM 521 N GLN A 35 1.521 -4.462 -7.475 1.00 0.00 N ATOM 522 CA GLN A 35 0.237 -4.845 -8.038 1.00 0.00 C ATOM 523 C GLN A 35 -0.246 -3.783 -9.028 1.00 0.00 C ATOM 524 O GLN A 35 -0.760 -4.112 -10.096 1.00 0.00 O ATOM 525 CB GLN A 35 -0.798 -5.079 -6.936 1.00 0.00 C ATOM 526 CG GLN A 35 -1.044 -6.574 -6.724 1.00 0.00 C ATOM 527 CD GLN A 35 -2.529 -6.857 -6.488 1.00 0.00 C ATOM 528 OE1 GLN A 35 -3.257 -6.060 -5.922 1.00 0.00 O ATOM 529 NE2 GLN A 35 -2.935 -8.035 -6.954 1.00 0.00 N ATOM 0 H GLN A 35 1.469 -4.017 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 35 0.364 -5.784 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.452 -4.628 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.734 -4.587 -7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.698 -7.130 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.463 -6.924 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.272 -8.656 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.909 -8.318 -6.847 1.00 0.00 H new ATOM 538 N ASN A 36 -0.064 -2.530 -8.637 1.00 0.00 N ATOM 539 CA ASN A 36 -0.475 -1.417 -9.477 1.00 0.00 C ATOM 540 C ASN A 36 0.740 -0.881 -10.236 1.00 0.00 C ATOM 541 O ASN A 36 0.826 0.315 -10.512 1.00 0.00 O ATOM 542 CB ASN A 36 -1.049 -0.275 -8.635 1.00 0.00 C ATOM 543 CG ASN A 36 -2.350 -0.698 -7.952 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.344 -1.009 -8.589 1.00 0.00 O ATOM 545 ND2 ASN A 36 -2.291 -0.692 -6.623 1.00 0.00 N ATOM 0 H ASN A 36 0.362 -2.261 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.240 -1.777 -10.165 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.321 0.028 -7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.232 0.592 -9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.109 -0.958 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.428 -0.421 -6.152 1.00 0.00 H new ATOM 552 N ASN A 37 1.649 -1.791 -10.553 1.00 0.00 N ATOM 553 CA ASN A 37 2.855 -1.425 -11.276 1.00 0.00 C ATOM 554 C ASN A 37 3.413 -0.122 -10.700 1.00 0.00 C ATOM 555 O ASN A 37 3.555 0.867 -11.417 1.00 0.00 O ATOM 556 CB ASN A 37 2.561 -1.198 -12.760 1.00 0.00 C ATOM 557 CG ASN A 37 2.644 -2.510 -13.542 1.00 0.00 C ATOM 558 OD1 ASN A 37 3.633 -3.223 -13.506 1.00 0.00 O ATOM 559 ND2 ASN A 37 1.552 -2.789 -14.249 1.00 0.00 N ATOM 0 H ASN A 37 1.575 -2.782 -10.322 1.00 0.00 H new ATOM 0 HA ASN A 37 3.571 -2.240 -11.171 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.568 -0.764 -12.875 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.272 -0.481 -13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.509 -3.643 -14.805 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.758 -2.149 -14.235 1.00 0.00 H new ATOM 566 N ASN A 38 3.714 -0.163 -9.410 1.00 0.00 N ATOM 567 CA ASN A 38 4.253 1.002 -8.730 1.00 0.00 C ATOM 568 C ASN A 38 3.475 2.246 -9.163 1.00 0.00 C ATOM 569 O ASN A 38 3.875 2.939 -10.098 1.00 0.00 O ATOM 570 CB ASN A 38 5.725 1.217 -9.088 1.00 0.00 C ATOM 571 CG ASN A 38 6.417 -0.115 -9.385 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.753 -0.431 -10.515 1.00 0.00 O ATOM 573 ND2 ASN A 38 6.611 -0.875 -8.312 1.00 0.00 N ATOM 0 H ASN A 38 3.595 -0.985 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 38 4.163 0.837 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.800 1.871 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.233 1.720 -8.265 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.066 -1.783 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.305 -0.550 -7.395 1.00 0.00 H new ATOM 580 N ASN A 39 2.377 2.492 -8.463 1.00 0.00 N ATOM 581 CA ASN A 39 1.539 3.640 -8.764 1.00 0.00 C ATOM 582 C ASN A 39 1.548 4.599 -7.572 1.00 0.00 C ATOM 583 O ASN A 39 1.847 4.196 -6.449 1.00 0.00 O ATOM 584 CB ASN A 39 0.092 3.214 -9.018 1.00 0.00 C ATOM 585 CG ASN A 39 -0.310 3.477 -10.471 1.00 0.00 C ATOM 586 OD1 ASN A 39 -0.411 2.575 -11.287 1.00 0.00 O ATOM 587 ND2 ASN A 39 -0.533 4.758 -10.748 1.00 0.00 N ATOM 0 H ASN A 39 2.048 1.916 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 39 1.935 4.122 -9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.024 2.154 -8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.574 3.758 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.807 5.036 -11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.431 5.463 -10.018 1.00 0.00 H new ATOM 594 N LEU A 40 1.216 5.850 -7.856 1.00 0.00 N ATOM 595 CA LEU A 40 1.182 6.869 -6.821 1.00 0.00 C ATOM 596 C LEU A 40 -0.233 6.957 -6.245 1.00 0.00 C ATOM 597 O LEU A 40 -0.486 6.491 -5.136 1.00 0.00 O ATOM 598 CB LEU A 40 1.711 8.199 -7.361 1.00 0.00 C ATOM 599 CG LEU A 40 2.491 9.063 -6.369 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.477 9.979 -7.096 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.543 9.848 -5.460 1.00 0.00 C ATOM 0 H LEU A 40 0.968 6.181 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 40 1.845 6.600 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.355 7.991 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.866 8.779 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 40 3.077 8.403 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.018 10.582 -6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.184 9.375 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.932 10.634 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.124 10.454 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.912 10.497 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.917 9.153 -4.900 1.00 0.00 H new ATOM 613 N ASP A 41 -1.118 7.559 -7.026 1.00 0.00 N ATOM 614 CA ASP A 41 -2.501 7.715 -6.608 1.00 0.00 C ATOM 615 C ASP A 41 -3.164 6.339 -6.530 1.00 0.00 C ATOM 616 O ASP A 41 -3.686 5.956 -5.484 1.00 0.00 O ATOM 617 CB ASP A 41 -3.287 8.563 -7.610 1.00 0.00 C ATOM 618 CG ASP A 41 -2.831 10.019 -7.724 1.00 0.00 C ATOM 619 OD1 ASP A 41 -3.015 10.751 -6.727 1.00 0.00 O ATOM 620 OD2 ASP A 41 -2.309 10.367 -8.805 1.00 0.00 O ATOM 0 H ASP A 41 -0.904 7.945 -7.946 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.506 8.209 -5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.214 8.097 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.340 8.549 -7.328 1.00 0.00 H new ATOM 625 N ALA A 42 -3.122 5.632 -7.650 1.00 0.00 N ATOM 626 CA ALA A 42 -3.712 4.307 -7.722 1.00 0.00 C ATOM 627 C ALA A 42 -3.401 3.544 -6.432 1.00 0.00 C ATOM 628 O ALA A 42 -4.177 2.688 -6.011 1.00 0.00 O ATOM 629 CB ALA A 42 -3.193 3.583 -8.966 1.00 0.00 C ATOM 0 H ALA A 42 -2.688 5.953 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.796 4.375 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.636 2.589 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.465 4.150 -9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.108 3.494 -8.909 1.00 0.00 H new ATOM 635 N CYS A 43 -2.264 3.882 -5.842 1.00 0.00 N ATOM 636 CA CYS A 43 -1.840 3.240 -4.609 1.00 0.00 C ATOM 637 C CYS A 43 -2.605 3.879 -3.448 1.00 0.00 C ATOM 638 O CYS A 43 -3.360 3.203 -2.751 1.00 0.00 O ATOM 639 CB CYS A 43 -0.326 3.333 -4.415 1.00 0.00 C ATOM 640 SG CYS A 43 0.242 2.011 -3.283 1.00 0.00 S ATOM 0 H CYS A 43 -1.623 4.592 -6.195 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.070 2.175 -4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.179 3.241 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.062 4.309 -4.009 1.00 0.00 H new ATOM 0 HG CYS A 43 0.340 0.892 -3.937 1.00 0.00 H new ATOM 646 N CYS A 44 -2.383 5.174 -3.276 1.00 0.00 N ATOM 647 CA CYS A 44 -3.042 5.911 -2.211 1.00 0.00 C ATOM 648 C CYS A 44 -4.508 5.476 -2.162 1.00 0.00 C ATOM 649 O CYS A 44 -5.007 5.081 -1.109 1.00 0.00 O ATOM 650 CB CYS A 44 -2.901 7.423 -2.399 1.00 0.00 C ATOM 651 SG CYS A 44 -3.737 8.304 -1.031 1.00 0.00 S ATOM 0 H CYS A 44 -1.756 5.732 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.565 5.683 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.847 7.697 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.335 7.721 -3.353 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.278 7.874 0.107 1.00 0.00 H new ATOM 657 N ALA A 45 -5.157 5.564 -3.313 1.00 0.00 N ATOM 658 CA ALA A 45 -6.556 5.185 -3.415 1.00 0.00 C ATOM 659 C ALA A 45 -6.783 3.880 -2.649 1.00 0.00 C ATOM 660 O ALA A 45 -7.758 3.750 -1.910 1.00 0.00 O ATOM 661 CB ALA A 45 -6.949 5.071 -4.889 1.00 0.00 C ATOM 0 H ALA A 45 -4.740 5.892 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.193 5.947 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.999 4.787 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.797 6.031 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.332 4.314 -5.373 1.00 0.00 H new ATOM 667 N VAL A 46 -5.866 2.945 -2.851 1.00 0.00 N ATOM 668 CA VAL A 46 -5.953 1.655 -2.189 1.00 0.00 C ATOM 669 C VAL A 46 -5.468 1.793 -0.745 1.00 0.00 C ATOM 670 O VAL A 46 -6.204 1.491 0.193 1.00 0.00 O ATOM 671 CB VAL A 46 -5.174 0.605 -2.983 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.945 -0.657 -2.148 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.884 0.271 -4.296 1.00 0.00 C ATOM 0 H VAL A 46 -5.059 3.056 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.988 1.314 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.199 1.027 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.389 -1.387 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.376 -0.403 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.906 -1.081 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.309 -0.478 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.879 -0.120 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.971 1.173 -4.902 1.00 0.00 H new ATOM 683 N LEU A 47 -4.232 2.251 -0.611 1.00 0.00 N ATOM 684 CA LEU A 47 -3.640 2.434 0.704 1.00 0.00 C ATOM 685 C LEU A 47 -4.672 3.065 1.640 1.00 0.00 C ATOM 686 O LEU A 47 -4.626 2.856 2.852 1.00 0.00 O ATOM 687 CB LEU A 47 -2.338 3.230 0.599 1.00 0.00 C ATOM 688 CG LEU A 47 -1.148 2.491 -0.018 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.012 3.461 -0.349 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.682 1.350 0.889 1.00 0.00 C ATOM 0 H LEU A 47 -3.624 2.501 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.365 1.471 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.530 4.126 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.056 3.561 1.598 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.473 2.044 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.821 2.910 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.366 4.207 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.320 3.957 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.164 0.841 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.380 1.754 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.498 0.641 1.031 1.00 0.00 H new ATOM 702 N SER A 48 -5.580 3.823 1.043 1.00 0.00 N ATOM 703 CA SER A 48 -6.623 4.485 1.809 1.00 0.00 C ATOM 704 C SER A 48 -7.662 3.463 2.272 1.00 0.00 C ATOM 705 O SER A 48 -8.032 3.436 3.445 1.00 0.00 O ATOM 706 CB SER A 48 -7.293 5.589 0.988 1.00 0.00 C ATOM 707 OG SER A 48 -8.629 5.836 1.416 1.00 0.00 O ATOM 0 H SER A 48 -5.615 3.994 0.038 1.00 0.00 H new ATOM 0 HA SER A 48 -6.164 4.947 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.710 6.507 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.296 5.307 -0.065 1.00 0.00 H new ATOM 0 HG SER A 48 -9.022 6.548 0.869 1.00 0.00 H new ATOM 713 N GLN A 49 -8.104 2.646 1.327 1.00 0.00 N ATOM 714 CA GLN A 49 -9.093 1.624 1.623 1.00 0.00 C ATOM 715 C GLN A 49 -8.455 0.480 2.412 1.00 0.00 C ATOM 716 O GLN A 49 -9.068 -0.066 3.328 1.00 0.00 O ATOM 717 CB GLN A 49 -9.749 1.108 0.341 1.00 0.00 C ATOM 718 CG GLN A 49 -8.958 -0.064 -0.246 1.00 0.00 C ATOM 719 CD GLN A 49 -9.420 -0.378 -1.670 1.00 0.00 C ATOM 720 OE1 GLN A 49 -9.429 0.468 -2.549 1.00 0.00 O ATOM 721 NE2 GLN A 49 -9.802 -1.640 -1.848 1.00 0.00 N ATOM 0 H GLN A 49 -7.795 2.671 0.355 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.875 2.070 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.771 0.792 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.809 1.914 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.895 0.176 -0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.084 -0.945 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.769 -2.297 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.127 -1.950 -2.764 1.00 0.00 H new ATOM 730 N GLU A 50 -7.230 0.149 2.027 1.00 0.00 N ATOM 731 CA GLU A 50 -6.502 -0.921 2.687 1.00 0.00 C ATOM 732 C GLU A 50 -6.242 -0.561 4.152 1.00 0.00 C ATOM 733 O GLU A 50 -6.560 -1.338 5.051 1.00 0.00 O ATOM 734 CB GLU A 50 -5.192 -1.224 1.957 1.00 0.00 C ATOM 735 CG GLU A 50 -5.394 -2.309 0.897 1.00 0.00 C ATOM 736 CD GLU A 50 -5.334 -3.704 1.523 1.00 0.00 C ATOM 737 OE1 GLU A 50 -6.315 -4.061 2.210 1.00 0.00 O ATOM 738 OE2 GLU A 50 -4.307 -4.382 1.300 1.00 0.00 O ATOM 0 H GLU A 50 -6.724 0.603 1.267 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.114 -1.823 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.815 -0.316 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.438 -1.547 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.357 -2.168 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.627 -2.218 0.128 1.00 0.00 H new ATOM 745 N SER A 51 -5.667 0.616 4.346 1.00 0.00 N ATOM 746 CA SER A 51 -5.361 1.088 5.686 1.00 0.00 C ATOM 747 C SER A 51 -6.498 0.722 6.642 1.00 0.00 C ATOM 748 O SER A 51 -6.279 0.031 7.636 1.00 0.00 O ATOM 749 CB SER A 51 -5.124 2.600 5.697 1.00 0.00 C ATOM 750 OG SER A 51 -5.269 3.153 7.002 1.00 0.00 O ATOM 0 H SER A 51 -5.405 1.257 3.598 1.00 0.00 H new ATOM 0 HA SER A 51 -4.444 0.601 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.123 2.813 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.828 3.082 5.019 1.00 0.00 H new ATOM 0 HG SER A 51 -5.109 4.119 6.968 1.00 0.00 H new ATOM 756 N THR A 52 -7.687 1.200 6.307 1.00 0.00 N ATOM 757 CA THR A 52 -8.859 0.932 7.124 1.00 0.00 C ATOM 758 C THR A 52 -8.997 -0.570 7.379 1.00 0.00 C ATOM 759 O THR A 52 -9.300 -0.988 8.496 1.00 0.00 O ATOM 760 CB THR A 52 -10.073 1.544 6.424 1.00 0.00 C ATOM 761 OG1 THR A 52 -9.846 2.949 6.498 1.00 0.00 O ATOM 762 CG2 THR A 52 -11.369 1.334 7.209 1.00 0.00 C ATOM 0 H THR A 52 -7.865 1.771 5.481 1.00 0.00 H new ATOM 0 HA THR A 52 -8.769 1.391 8.109 1.00 0.00 H new ATOM 0 HB THR A 52 -10.176 1.108 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.586 3.423 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.200 1.788 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.553 0.266 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.279 1.798 8.191 1.00 0.00 H new ATOM 770 N ARG A 53 -8.770 -1.341 6.326 1.00 0.00 N ATOM 771 CA ARG A 53 -8.866 -2.788 6.422 1.00 0.00 C ATOM 772 C ARG A 53 -7.931 -3.310 7.515 1.00 0.00 C ATOM 773 O ARG A 53 -8.218 -4.323 8.151 1.00 0.00 O ATOM 774 CB ARG A 53 -8.507 -3.453 5.092 1.00 0.00 C ATOM 775 CG ARG A 53 -9.355 -4.705 4.859 1.00 0.00 C ATOM 776 CD ARG A 53 -9.060 -5.772 5.915 1.00 0.00 C ATOM 777 NE ARG A 53 -10.096 -5.739 6.971 1.00 0.00 N ATOM 778 CZ ARG A 53 -11.361 -6.145 6.795 1.00 0.00 C ATOM 779 NH1 ARG A 53 -11.754 -6.617 5.604 1.00 0.00 N ATOM 780 NH2 ARG A 53 -12.234 -6.080 7.810 1.00 0.00 N ATOM 0 H ARG A 53 -8.520 -0.991 5.401 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.897 -3.037 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.661 -2.748 4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.450 -3.719 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.413 -4.443 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.153 -5.106 3.866 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.034 -6.758 5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.077 -5.600 6.353 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.831 -5.385 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.090 -6.667 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.717 -6.926 5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.936 -5.721 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.197 -6.389 7.675 1.00 0.00 H new ATOM 794 N TYR A 54 -6.831 -2.595 7.700 1.00 0.00 N ATOM 795 CA TYR A 54 -5.852 -2.974 8.704 1.00 0.00 C ATOM 796 C TYR A 54 -6.074 -2.200 10.005 1.00 0.00 C ATOM 797 O TYR A 54 -5.691 -2.662 11.079 1.00 0.00 O ATOM 798 CB TYR A 54 -4.487 -2.595 8.127 1.00 0.00 C ATOM 799 CG TYR A 54 -3.967 -3.569 7.067 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.690 -3.780 5.911 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.776 -4.236 7.268 1.00 0.00 C ATOM 802 CE1 TYR A 54 -4.201 -4.697 4.913 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.287 -5.152 6.270 1.00 0.00 C ATOM 804 CZ TYR A 54 -3.024 -5.337 5.143 1.00 0.00 C ATOM 805 OH TYR A 54 -2.562 -6.203 4.201 1.00 0.00 O ATOM 0 H TYR A 54 -6.596 -1.755 7.171 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.929 -4.037 8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.553 -1.599 7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.763 -2.539 8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.622 -3.258 5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.211 -4.071 8.173 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.757 -4.872 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.356 -5.680 6.414 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.711 -6.586 4.499 1.00 0.00 H new ATOM 815 N LEU A 55 -6.693 -1.037 9.867 1.00 0.00 N ATOM 816 CA LEU A 55 -6.971 -0.195 11.018 1.00 0.00 C ATOM 817 C LEU A 55 -8.149 -0.780 11.799 1.00 0.00 C ATOM 818 O LEU A 55 -8.433 -0.349 12.916 1.00 0.00 O ATOM 819 CB LEU A 55 -7.182 1.257 10.582 1.00 0.00 C ATOM 820 CG LEU A 55 -6.071 2.239 10.959 1.00 0.00 C ATOM 821 CD1 LEU A 55 -6.384 3.645 10.444 1.00 0.00 C ATOM 822 CD2 LEU A 55 -5.814 2.224 12.467 1.00 0.00 C ATOM 0 H LEU A 55 -7.010 -0.658 8.975 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.116 -0.179 11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.304 1.276 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.117 1.613 11.015 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.150 1.916 10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.579 4.323 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.477 3.623 9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.320 3.992 10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.020 2.931 12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.725 2.508 12.994 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.514 1.222 12.775 1.00 0.00 H new ATOM 834 N TYR A 56 -8.803 -1.752 11.182 1.00 0.00 N ATOM 835 CA TYR A 56 -9.944 -2.401 11.805 1.00 0.00 C ATOM 836 C TYR A 56 -10.088 -3.844 11.318 1.00 0.00 C ATOM 837 O TYR A 56 -10.799 -4.108 10.350 1.00 0.00 O ATOM 838 CB TYR A 56 -11.173 -1.602 11.369 1.00 0.00 C ATOM 839 CG TYR A 56 -11.179 -0.152 11.856 1.00 0.00 C ATOM 840 CD1 TYR A 56 -10.608 0.838 11.082 1.00 0.00 C ATOM 841 CD2 TYR A 56 -11.754 0.167 13.069 1.00 0.00 C ATOM 842 CE1 TYR A 56 -10.613 2.203 11.540 1.00 0.00 C ATOM 843 CE2 TYR A 56 -11.759 1.532 13.528 1.00 0.00 C ATOM 844 CZ TYR A 56 -11.189 2.483 12.741 1.00 0.00 C ATOM 845 OH TYR A 56 -11.193 3.772 13.173 1.00 0.00 O ATOM 0 H TYR A 56 -8.564 -2.107 10.256 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.826 -2.428 12.888 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.230 -1.609 10.281 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.068 -2.102 11.739 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.157 0.589 10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.201 -0.608 13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.170 2.987 10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.205 1.794 14.476 1.00 0.00 H new ATOM 0 HH TYR A 56 -11.638 3.824 14.045 1.00 0.00 H new ATOM 855 N GLY A 57 -9.403 -4.740 12.013 1.00 0.00 N ATOM 856 CA GLY A 57 -9.446 -6.150 11.663 1.00 0.00 C ATOM 857 C GLY A 57 -8.652 -6.988 12.667 1.00 0.00 C ATOM 858 O GLY A 57 -7.460 -7.224 12.480 1.00 0.00 O ATOM 0 H GLY A 57 -8.815 -4.517 12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.481 -6.491 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.039 -6.293 10.662 1.00 0.00 H new ATOM 862 N GLU A 58 -9.347 -7.416 13.712 1.00 0.00 N ATOM 863 CA GLU A 58 -8.722 -8.223 14.746 1.00 0.00 C ATOM 864 C GLU A 58 -7.462 -7.533 15.269 1.00 0.00 C ATOM 865 O GLU A 58 -6.355 -7.833 14.825 1.00 0.00 O ATOM 866 CB GLU A 58 -8.404 -9.627 14.228 1.00 0.00 C ATOM 867 CG GLU A 58 -7.805 -10.497 15.335 1.00 0.00 C ATOM 868 CD GLU A 58 -6.915 -11.595 14.749 1.00 0.00 C ATOM 869 OE1 GLU A 58 -7.473 -12.461 14.041 1.00 0.00 O ATOM 870 OE2 GLU A 58 -5.696 -11.543 15.022 1.00 0.00 O ATOM 0 H GLU A 58 -10.336 -7.219 13.864 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.425 -8.327 15.573 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.313 -10.092 13.847 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.705 -9.561 13.394 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.222 -9.876 16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.606 -10.947 15.922 1.00 0.00 H new ATOM 877 N GLY A 59 -7.671 -6.620 16.206 1.00 0.00 N ATOM 878 CA GLY A 59 -6.565 -5.884 16.795 1.00 0.00 C ATOM 879 C GLY A 59 -6.889 -4.392 16.893 1.00 0.00 C ATOM 880 O GLY A 59 -8.005 -3.974 16.587 1.00 0.00 O ATOM 0 H GLY A 59 -8.590 -6.373 16.572 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.349 -6.279 17.788 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.667 -6.026 16.193 1.00 0.00 H new ATOM 884 N ASP A 60 -5.893 -3.629 17.319 1.00 0.00 N ATOM 885 CA ASP A 60 -6.059 -2.193 17.461 1.00 0.00 C ATOM 886 C ASP A 60 -7.171 -1.909 18.472 1.00 0.00 C ATOM 887 O ASP A 60 -7.978 -2.786 18.775 1.00 0.00 O ATOM 888 CB ASP A 60 -6.454 -1.550 16.130 1.00 0.00 C ATOM 889 CG ASP A 60 -5.282 -1.087 15.262 1.00 0.00 C ATOM 890 OD1 ASP A 60 -4.739 -1.948 14.536 1.00 0.00 O ATOM 891 OD2 ASP A 60 -4.955 0.116 15.344 1.00 0.00 O ATOM 0 H ASP A 60 -4.968 -3.979 17.570 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.109 -1.776 17.795 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.048 -2.265 15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.096 -0.693 16.334 1.00 0.00 H new ATOM 896 N LEU A 61 -7.179 -0.679 18.965 1.00 0.00 N ATOM 897 CA LEU A 61 -8.180 -0.269 19.936 1.00 0.00 C ATOM 898 C LEU A 61 -8.828 1.037 19.472 1.00 0.00 C ATOM 899 O LEU A 61 -8.690 2.070 20.126 1.00 0.00 O ATOM 900 CB LEU A 61 -7.567 -0.188 21.335 1.00 0.00 C ATOM 901 CG LEU A 61 -6.210 0.512 21.434 1.00 0.00 C ATOM 902 CD1 LEU A 61 -5.977 1.061 22.843 1.00 0.00 C ATOM 903 CD2 LEU A 61 -5.080 -0.419 20.988 1.00 0.00 C ATOM 0 H LEU A 61 -6.509 0.047 18.711 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.974 -1.013 20.003 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.269 0.330 21.988 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.460 -1.201 21.722 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.214 1.364 20.754 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.005 1.553 22.886 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.759 1.780 23.087 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.000 0.241 23.561 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.126 0.102 21.068 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.065 -1.303 21.625 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.244 -0.720 19.953 1.00 0.00 H new ATOM 915 N ASN A 62 -9.522 0.949 18.346 1.00 0.00 N ATOM 916 CA ASN A 62 -10.192 2.111 17.788 1.00 0.00 C ATOM 917 C ASN A 62 -11.611 1.723 17.369 1.00 0.00 C ATOM 918 O ASN A 62 -11.903 0.545 17.166 1.00 0.00 O ATOM 919 CB ASN A 62 -9.458 2.627 16.549 1.00 0.00 C ATOM 920 CG ASN A 62 -9.628 4.141 16.402 1.00 0.00 C ATOM 921 OD1 ASN A 62 -10.629 4.720 16.791 1.00 0.00 O ATOM 922 ND2 ASN A 62 -8.597 4.747 15.820 1.00 0.00 N ATOM 0 H ASN A 62 -9.634 0.091 17.806 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.206 2.891 18.550 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.398 2.382 16.621 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.841 2.126 15.660 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.614 5.757 15.676 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.789 4.202 15.518 1.00 0.00 H new ATOM 929 N PHE A 63 -12.457 2.736 17.251 1.00 0.00 N ATOM 930 CA PHE A 63 -13.839 2.516 16.860 1.00 0.00 C ATOM 931 C PHE A 63 -14.534 3.839 16.533 1.00 0.00 C ATOM 932 O PHE A 63 -14.931 4.575 17.436 1.00 0.00 O ATOM 933 CB PHE A 63 -14.543 1.864 18.051 1.00 0.00 C ATOM 934 CG PHE A 63 -15.075 0.458 17.767 1.00 0.00 C ATOM 935 CD1 PHE A 63 -16.151 0.290 16.951 1.00 0.00 C ATOM 936 CD2 PHE A 63 -14.473 -0.624 18.329 1.00 0.00 C ATOM 937 CE1 PHE A 63 -16.645 -1.015 16.687 1.00 0.00 C ATOM 938 CE2 PHE A 63 -14.967 -1.929 18.065 1.00 0.00 C ATOM 939 CZ PHE A 63 -16.042 -2.097 17.249 1.00 0.00 C ATOM 0 H PHE A 63 -12.212 3.712 17.419 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.878 1.887 15.971 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -13.847 1.816 18.889 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -15.373 2.499 18.362 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -16.629 1.149 16.504 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -13.619 -0.491 18.976 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -17.499 -1.148 16.040 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -14.489 -2.788 18.512 1.00 0.00 H new ATOM 0 HZ PHE A 63 -16.417 -3.090 17.047 1.00 0.00 H new ATOM 949 N SER A 64 -14.661 4.102 15.241 1.00 0.00 N ATOM 950 CA SER A 64 -15.301 5.323 14.785 1.00 0.00 C ATOM 951 C SER A 64 -14.456 6.536 15.180 1.00 0.00 C ATOM 952 O SER A 64 -13.647 6.459 16.104 1.00 0.00 O ATOM 953 CB SER A 64 -16.714 5.452 15.357 1.00 0.00 C ATOM 954 OG SER A 64 -17.546 4.360 14.974 1.00 0.00 O ATOM 0 H SER A 64 -14.331 3.489 14.495 1.00 0.00 H new ATOM 0 HA SER A 64 -15.381 5.281 13.699 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.662 5.504 16.444 1.00 0.00 H new ATOM 0 HB3 SER A 64 -17.160 6.386 15.014 1.00 0.00 H new ATOM 0 HG SER A 64 -18.439 4.478 15.360 1.00 0.00 H new ATOM 960 N ASP A 65 -14.673 7.628 14.461 1.00 0.00 N ATOM 961 CA ASP A 65 -13.941 8.855 14.725 1.00 0.00 C ATOM 962 C ASP A 65 -14.921 10.030 14.762 1.00 0.00 C ATOM 963 O ASP A 65 -15.828 10.112 13.935 1.00 0.00 O ATOM 964 CB ASP A 65 -12.913 9.131 13.627 1.00 0.00 C ATOM 965 CG ASP A 65 -12.299 10.532 13.653 1.00 0.00 C ATOM 966 OD1 ASP A 65 -11.314 10.706 14.403 1.00 0.00 O ATOM 967 OD2 ASP A 65 -12.827 11.397 12.922 1.00 0.00 O ATOM 0 H ASP A 65 -15.345 7.688 13.696 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.427 8.742 15.679 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.111 8.398 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.388 8.977 12.658 1.00 0.00 H new ATOM 972 N ASP A 66 -14.705 10.910 15.728 1.00 0.00 N ATOM 973 CA ASP A 66 -15.557 12.076 15.883 1.00 0.00 C ATOM 974 C ASP A 66 -14.959 13.247 15.101 1.00 0.00 C ATOM 975 O ASP A 66 -13.745 13.324 14.924 1.00 0.00 O ATOM 976 CB ASP A 66 -15.660 12.492 17.352 1.00 0.00 C ATOM 977 CG ASP A 66 -16.537 11.589 18.220 1.00 0.00 C ATOM 978 OD1 ASP A 66 -17.579 11.137 17.697 1.00 0.00 O ATOM 979 OD2 ASP A 66 -16.147 11.370 19.387 1.00 0.00 O ATOM 0 H ASP A 66 -13.952 10.839 16.412 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.549 11.820 15.510 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.657 12.517 17.778 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.052 13.508 17.400 1.00 0.00 H new ATOM 984 N SER A 67 -15.841 14.130 14.653 1.00 0.00 N ATOM 985 CA SER A 67 -15.415 15.293 13.894 1.00 0.00 C ATOM 986 C SER A 67 -16.256 16.510 14.286 1.00 0.00 C ATOM 987 O SER A 67 -17.286 16.371 14.943 1.00 0.00 O ATOM 988 CB SER A 67 -15.520 15.037 12.389 1.00 0.00 C ATOM 989 OG SER A 67 -16.835 14.644 12.005 1.00 0.00 O ATOM 0 H SER A 67 -16.848 14.063 14.801 1.00 0.00 H new ATOM 0 HA SER A 67 -14.369 15.491 14.129 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.239 15.940 11.847 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.811 14.260 12.103 1.00 0.00 H new ATOM 0 HG SER A 67 -16.861 14.492 11.037 1.00 0.00 H new ATOM 995 N GLY A 68 -15.784 17.675 13.865 1.00 0.00 N ATOM 996 CA GLY A 68 -16.480 18.915 14.164 1.00 0.00 C ATOM 997 C GLY A 68 -17.214 19.443 12.930 1.00 0.00 C ATOM 998 O GLY A 68 -18.440 19.367 12.852 1.00 0.00 O ATOM 0 H GLY A 68 -14.929 17.786 13.320 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.192 18.751 14.973 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.767 19.661 14.514 1.00 0.00 H new ATOM 1002 N ILE A 69 -16.434 19.965 11.995 1.00 0.00 N ATOM 1003 CA ILE A 69 -16.995 20.506 10.768 1.00 0.00 C ATOM 1004 C ILE A 69 -17.981 21.624 11.112 1.00 0.00 C ATOM 1005 O ILE A 69 -19.193 21.444 10.998 1.00 0.00 O ATOM 1006 CB ILE A 69 -17.604 19.388 9.920 1.00 0.00 C ATOM 1007 CG1 ILE A 69 -16.551 18.338 9.559 1.00 0.00 C ATOM 1008 CG2 ILE A 69 -18.296 19.956 8.679 1.00 0.00 C ATOM 1009 CD1 ILE A 69 -15.616 18.853 8.463 1.00 0.00 C ATOM 0 H ILE A 69 -15.418 20.025 12.062 1.00 0.00 H new ATOM 0 HA ILE A 69 -16.212 20.950 10.154 1.00 0.00 H new ATOM 0 HB ILE A 69 -18.368 18.887 10.514 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.971 18.080 10.445 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -17.043 17.425 9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -18.720 19.140 8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -19.092 20.635 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.570 20.498 8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.877 18.087 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.196 19.087 7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.107 19.752 8.811 1.00 0.00 H new ATOM 1021 N SER A 70 -17.425 22.753 11.527 1.00 0.00 N ATOM 1022 CA SER A 70 -18.241 23.900 11.888 1.00 0.00 C ATOM 1023 C SER A 70 -17.382 25.165 11.915 1.00 0.00 C ATOM 1024 O SER A 70 -16.158 25.087 12.008 1.00 0.00 O ATOM 1025 CB SER A 70 -18.918 23.689 13.244 1.00 0.00 C ATOM 1026 OG SER A 70 -19.994 24.600 13.451 1.00 0.00 O ATOM 0 H SER A 70 -16.420 22.898 11.621 1.00 0.00 H new ATOM 0 HA SER A 70 -19.022 24.015 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 70 -19.291 22.667 13.308 1.00 0.00 H new ATOM 0 HB3 SER A 70 -18.182 23.810 14.039 1.00 0.00 H new ATOM 0 HG SER A 70 -20.401 24.432 14.326 1.00 0.00 H new ATOM 1032 N GLY A 71 -18.057 26.302 11.831 1.00 0.00 N ATOM 1033 CA GLY A 71 -17.371 27.583 11.845 1.00 0.00 C ATOM 1034 C GLY A 71 -18.360 28.737 11.673 1.00 0.00 C ATOM 1035 O GLY A 71 -18.734 29.077 10.551 1.00 0.00 O ATOM 0 H GLY A 71 -19.072 26.363 11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.830 27.700 12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.631 27.612 11.046 1.00 0.00 H new ATOM 1039 N PRO A 72 -18.767 29.323 12.831 1.00 0.00 N ATOM 1040 CA PRO A 72 -19.706 30.431 12.819 1.00 0.00 C ATOM 1041 C PRO A 72 -19.023 31.723 12.365 1.00 0.00 C ATOM 1042 O PRO A 72 -17.815 31.744 12.137 1.00 0.00 O ATOM 1043 CB PRO A 72 -20.240 30.510 14.240 1.00 0.00 C ATOM 1044 CG PRO A 72 -19.245 29.750 15.102 1.00 0.00 C ATOM 1045 CD PRO A 72 -18.346 28.946 14.177 1.00 0.00 C ATOM 0 HA PRO A 72 -20.520 30.285 12.109 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -20.329 31.546 14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -21.234 30.068 14.309 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.654 30.441 15.703 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.766 29.091 15.796 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.295 29.181 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.463 27.875 14.343 1.00 0.00 H new ATOM 1053 N SER A 73 -19.827 32.770 12.248 1.00 0.00 N ATOM 1054 CA SER A 73 -19.315 34.063 11.826 1.00 0.00 C ATOM 1055 C SER A 73 -18.401 33.892 10.611 1.00 0.00 C ATOM 1056 O SER A 73 -17.187 33.762 10.756 1.00 0.00 O ATOM 1057 CB SER A 73 -18.562 34.756 12.963 1.00 0.00 C ATOM 1058 OG SER A 73 -18.830 36.155 13.006 1.00 0.00 O ATOM 0 H SER A 73 -20.829 32.749 12.438 1.00 0.00 H new ATOM 0 HA SER A 73 -20.161 34.692 11.551 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.844 34.303 13.914 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.491 34.596 12.839 1.00 0.00 H new ATOM 0 HG SER A 73 -18.332 36.561 13.746 1.00 0.00 H new ATOM 1064 N SER A 74 -19.020 33.899 9.439 1.00 0.00 N ATOM 1065 CA SER A 74 -18.278 33.746 8.200 1.00 0.00 C ATOM 1066 C SER A 74 -19.171 34.098 7.008 1.00 0.00 C ATOM 1067 O SER A 74 -20.045 33.319 6.633 1.00 0.00 O ATOM 1068 CB SER A 74 -17.734 32.324 8.055 1.00 0.00 C ATOM 1069 OG SER A 74 -16.550 32.282 7.262 1.00 0.00 O ATOM 0 H SER A 74 -20.027 34.008 9.322 1.00 0.00 H new ATOM 0 HA SER A 74 -17.429 34.429 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.523 31.914 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 74 -18.496 31.689 7.603 1.00 0.00 H new ATOM 0 HG SER A 74 -16.234 31.357 7.195 1.00 0.00 H new ATOM 1075 N GLY A 75 -18.919 35.271 6.447 1.00 0.00 N ATOM 1076 CA GLY A 75 -19.689 35.735 5.305 1.00 0.00 C ATOM 1077 C GLY A 75 -19.116 35.186 3.997 1.00 0.00 C ATOM 1078 O GLY A 75 -19.718 34.317 3.368 1.00 0.00 O ATOM 0 H GLY A 75 -18.193 35.914 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.728 35.422 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.686 36.825 5.278 1.00 0.00 H new TER 1082 GLY A 75