USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 800 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 43 ASN : amide:sc= -3.77! C(o=-2.8!,f=-6.7!) USER MOD Set 1.2: A 47 ASN : amide:sc= 0.984 K(o=-2.8,f=-3.9) USER MOD Single : A 14 MET CE :methyl -161:sc= -0.116 (180deg=-0.56) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.818 K(o=0.82,f=-5.6!) USER MOD Single : A 19 HIS : +bothHN:sc= -3.54! C(o=-3.5!,f=-10!) USER MOD Single : A 21 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.2!) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.938) USER MOD Single : A 25 SER OG : rot 78:sc= 1.26 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.475 F(o=-2.2!,f=-0.47) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -2.94! C(o=-3.7!,f=-2.9!) USER MOD Single : A 36 ASN : amide:sc= -0.511 K(o=-0.51,f=-1.7) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 38 GLN : amide:sc= -0.989 K(o=-0.99,f=-1.9!) USER MOD Single : A 39 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 1.28 (180deg=1.15) USER MOD Single : A 49 TYR OH : rot 101:sc= 1.82 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -17:sc= -0.998 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 15:sc= 0.764 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -2.46 (180deg=-3.83!) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -0.289 (180deg=-2.5!) USER MOD Single : A 76 GLN :FLIP amide:sc=-0.00244 F(o=-0.86,f=-0.0024) USER MOD Single : A 77 SER OG : rot -18:sc= 0.928 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.17) USER MOD Single : A 83 SER OG : rot -90:sc= 0.864 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0112 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.638 F(o=-2.3!,f=-0.64) USER MOD Single : A 92 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.6!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -12.735 13.631 2.774 1.00 9.03 N ATOM 2 CA GLY A 12 -13.838 13.518 1.792 1.00 8.58 C ATOM 3 C GLY A 12 -14.496 12.153 1.822 1.00 7.72 C ATOM 4 O GLY A 12 -15.247 11.836 2.747 1.00 7.84 O ATOM 0 HA2 GLY A 12 -14.585 14.284 1.999 1.00 8.58 H new ATOM 0 HA3 GLY A 12 -13.452 13.711 0.791 1.00 8.58 H new ATOM 10 N ALA A 13 -14.200 11.332 0.824 1.00 7.10 N ATOM 11 CA ALA A 13 -14.811 10.017 0.709 1.00 6.53 C ATOM 12 C ALA A 13 -13.781 8.916 0.941 1.00 5.64 C ATOM 13 O ALA A 13 -13.946 7.782 0.489 1.00 5.46 O ATOM 14 CB ALA A 13 -15.463 9.861 -0.658 1.00 6.80 C ATOM 0 H ALA A 13 -13.538 11.555 0.081 1.00 7.10 H new ATOM 0 HA ALA A 13 -15.579 9.925 1.477 1.00 6.53 H new ATOM 0 HB1 ALA A 13 -15.917 8.873 -0.734 1.00 6.80 H new ATOM 0 HB2 ALA A 13 -16.231 10.624 -0.784 1.00 6.80 H new ATOM 0 HB3 ALA A 13 -14.708 9.974 -1.436 1.00 6.80 H new ATOM 20 N MET A 14 -12.724 9.247 1.673 1.00 5.41 N ATOM 21 CA MET A 14 -11.652 8.297 1.950 1.00 4.79 C ATOM 22 C MET A 14 -12.022 7.414 3.146 1.00 3.99 C ATOM 23 O MET A 14 -11.220 7.176 4.046 1.00 4.17 O ATOM 24 CB MET A 14 -10.342 9.050 2.212 1.00 5.31 C ATOM 25 CG MET A 14 -9.117 8.154 2.324 1.00 5.50 C ATOM 26 SD MET A 14 -7.617 9.076 2.714 1.00 6.58 S ATOM 27 CE MET A 14 -7.463 10.094 1.249 1.00 7.20 C ATOM 0 H MET A 14 -12.586 10.169 2.087 1.00 5.41 H new ATOM 0 HA MET A 14 -11.513 7.652 1.082 1.00 4.79 H new ATOM 0 HB2 MET A 14 -10.181 9.767 1.407 1.00 5.31 H new ATOM 0 HB3 MET A 14 -10.444 9.623 3.133 1.00 5.31 H new ATOM 0 HG2 MET A 14 -9.289 7.404 3.096 1.00 5.50 H new ATOM 0 HG3 MET A 14 -8.976 7.618 1.385 1.00 5.50 H new ATOM 0 HE1 MET A 14 -6.441 10.464 1.169 1.00 7.20 H new ATOM 0 HE2 MET A 14 -7.704 9.501 0.367 1.00 7.20 H new ATOM 0 HE3 MET A 14 -8.150 10.937 1.318 1.00 7.20 H new ATOM 37 N GLU A 15 -13.254 6.928 3.146 1.00 3.65 N ATOM 38 CA GLU A 15 -13.742 6.094 4.233 1.00 3.40 C ATOM 39 C GLU A 15 -13.902 4.646 3.780 1.00 2.63 C ATOM 40 O GLU A 15 -13.644 3.719 4.545 1.00 2.90 O ATOM 41 CB GLU A 15 -15.077 6.631 4.754 1.00 4.21 C ATOM 42 CG GLU A 15 -16.182 6.629 3.713 1.00 5.16 C ATOM 43 CD GLU A 15 -17.504 7.103 4.266 1.00 5.80 C ATOM 44 OE1 GLU A 15 -18.010 6.474 5.215 1.00 6.20 O ATOM 45 OE2 GLU A 15 -18.044 8.106 3.750 1.00 6.21 O ATOM 0 H GLU A 15 -13.934 7.097 2.405 1.00 3.65 H new ATOM 0 HA GLU A 15 -13.008 6.122 5.038 1.00 3.40 H new ATOM 0 HB2 GLU A 15 -15.392 6.030 5.607 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -14.933 7.649 5.116 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -15.891 7.268 2.879 1.00 5.16 H new ATOM 0 HG3 GLU A 15 -16.299 5.621 3.316 1.00 5.16 H new ATOM 52 N SER A 16 -14.280 4.462 2.516 1.00 2.29 N ATOM 53 CA SER A 16 -14.588 3.139 1.981 1.00 2.23 C ATOM 54 C SER A 16 -13.321 2.406 1.550 1.00 1.84 C ATOM 55 O SER A 16 -13.354 1.564 0.655 1.00 2.63 O ATOM 56 CB SER A 16 -15.539 3.271 0.788 1.00 3.27 C ATOM 57 OG SER A 16 -16.676 4.054 1.120 1.00 4.00 O ATOM 0 H SER A 16 -14.380 5.219 1.840 1.00 2.29 H new ATOM 0 HA SER A 16 -15.065 2.558 2.770 1.00 2.23 H new ATOM 0 HB2 SER A 16 -15.013 3.727 -0.051 1.00 3.27 H new ATOM 0 HB3 SER A 16 -15.859 2.281 0.463 1.00 3.27 H new ATOM 0 HG SER A 16 -17.265 4.123 0.340 1.00 4.00 H new ATOM 63 N HIS A 17 -12.207 2.742 2.200 1.00 1.21 N ATOM 64 CA HIS A 17 -10.905 2.141 1.903 1.00 1.12 C ATOM 65 C HIS A 17 -10.551 2.286 0.416 1.00 0.95 C ATOM 66 O HIS A 17 -10.112 1.322 -0.206 1.00 1.29 O ATOM 67 CB HIS A 17 -10.900 0.651 2.287 1.00 1.94 C ATOM 68 CG HIS A 17 -11.245 0.371 3.722 1.00 2.42 C ATOM 69 ND1 HIS A 17 -10.368 -0.212 4.604 1.00 3.33 N ATOM 70 CD2 HIS A 17 -12.391 0.567 4.417 1.00 2.69 C ATOM 71 CE1 HIS A 17 -10.955 -0.360 5.778 1.00 3.81 C ATOM 72 NE2 HIS A 17 -12.187 0.104 5.691 1.00 3.44 N ATOM 0 H HIS A 17 -12.181 3.437 2.946 1.00 1.21 H new ATOM 0 HA HIS A 17 -10.157 2.670 2.493 1.00 1.12 H new ATOM 0 HB2 HIS A 17 -11.607 0.123 1.648 1.00 1.94 H new ATOM 0 HB3 HIS A 17 -9.913 0.239 2.078 1.00 1.94 H new ATOM 0 HD1 HIS A 17 -9.411 -0.488 4.386 1.00 3.33 H new ATOM 0 HD2 HIS A 17 -13.300 1.008 4.036 1.00 2.69 H new ATOM 0 HE1 HIS A 17 -10.503 -0.789 6.660 1.00 3.81 H new ATOM 81 N PRO A 18 -10.693 3.494 -0.173 1.00 0.69 N ATOM 82 CA PRO A 18 -10.598 3.677 -1.625 1.00 0.74 C ATOM 83 C PRO A 18 -9.170 3.564 -2.153 1.00 0.62 C ATOM 84 O PRO A 18 -8.835 2.629 -2.879 1.00 0.57 O ATOM 85 CB PRO A 18 -11.138 5.099 -1.856 1.00 0.95 C ATOM 86 CG PRO A 18 -11.666 5.557 -0.534 1.00 1.15 C ATOM 87 CD PRO A 18 -10.923 4.774 0.507 1.00 0.84 C ATOM 0 HA PRO A 18 -11.153 2.902 -2.153 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -10.350 5.763 -2.213 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -11.923 5.101 -2.612 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -11.509 6.627 -0.402 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -12.739 5.381 -0.461 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -9.988 5.258 0.790 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -11.508 4.651 1.419 1.00 0.84 H new ATOM 95 N HIS A 19 -8.329 4.519 -1.772 1.00 0.68 N ATOM 96 CA HIS A 19 -6.950 4.558 -2.239 1.00 0.70 C ATOM 97 C HIS A 19 -6.181 3.360 -1.686 1.00 0.61 C ATOM 98 O HIS A 19 -5.283 2.840 -2.335 1.00 0.63 O ATOM 99 CB HIS A 19 -6.304 5.890 -1.823 1.00 0.95 C ATOM 100 CG HIS A 19 -4.909 6.125 -2.342 1.00 0.54 C ATOM 101 ND1 HIS A 19 -3.896 6.628 -1.557 1.00 1.09 N ATOM 102 CD2 HIS A 19 -4.377 5.970 -3.578 1.00 1.06 C ATOM 103 CE1 HIS A 19 -2.806 6.772 -2.284 1.00 1.26 C ATOM 104 NE2 HIS A 19 -3.072 6.380 -3.512 1.00 1.23 N ATOM 0 H HIS A 19 -8.580 5.278 -1.139 1.00 0.68 H new ATOM 0 HA HIS A 19 -6.924 4.495 -3.327 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -6.942 6.705 -2.164 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -6.281 5.938 -0.734 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -3.977 6.854 -0.566 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -4.887 5.593 -4.452 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -1.857 7.148 -1.932 1.00 1.26 H new ATOM 0 HE2 HIS A 19 -2.412 6.381 -4.290 1.00 1.23 H new ATOM 113 N ILE A 20 -6.572 2.911 -0.497 1.00 0.60 N ATOM 114 CA ILE A 20 -5.965 1.735 0.123 1.00 0.61 C ATOM 115 C ILE A 20 -6.175 0.498 -0.740 1.00 0.55 C ATOM 116 O ILE A 20 -5.238 -0.241 -1.054 1.00 0.62 O ATOM 117 CB ILE A 20 -6.616 1.434 1.488 1.00 0.65 C ATOM 118 CG1 ILE A 20 -6.624 2.673 2.383 1.00 0.93 C ATOM 119 CG2 ILE A 20 -5.900 0.283 2.182 1.00 1.21 C ATOM 120 CD1 ILE A 20 -7.365 2.479 3.689 1.00 0.90 C ATOM 0 H ILE A 20 -7.309 3.345 0.059 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.904 1.956 0.238 1.00 0.61 H new ATOM 0 HB ILE A 20 -7.650 1.142 1.306 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -5.595 2.960 2.599 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -7.078 3.501 1.838 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -6.374 0.086 3.143 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -5.958 -0.610 1.559 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -4.855 0.548 2.341 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -7.327 3.401 4.269 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -8.404 2.222 3.483 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -6.898 1.674 4.256 1.00 0.90 H new ATOM 132 N GLN A 21 -7.424 0.293 -1.130 1.00 0.49 N ATOM 133 CA GLN A 21 -7.827 -0.920 -1.816 1.00 0.50 C ATOM 134 C GLN A 21 -7.220 -1.007 -3.204 1.00 0.50 C ATOM 135 O GLN A 21 -6.873 -2.095 -3.663 1.00 0.57 O ATOM 136 CB GLN A 21 -9.349 -0.999 -1.897 1.00 0.56 C ATOM 137 CG GLN A 21 -9.907 -2.363 -1.525 1.00 0.93 C ATOM 138 CD GLN A 21 -9.507 -2.810 -0.128 1.00 1.00 C ATOM 139 OE1 GLN A 21 -9.382 -4.002 0.134 1.00 1.72 O ATOM 140 NE2 GLN A 21 -9.303 -1.860 0.777 1.00 0.82 N ATOM 0 H GLN A 21 -8.181 0.960 -0.980 1.00 0.49 H new ATOM 0 HA GLN A 21 -7.455 -1.767 -1.240 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.779 -0.247 -1.236 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -9.664 -0.751 -2.910 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -10.994 -2.335 -1.594 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -9.561 -3.100 -2.249 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -9.417 -0.879 0.521 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -9.032 -2.111 1.728 1.00 0.82 H new ATOM 149 N LEU A 22 -7.095 0.136 -3.872 1.00 0.51 N ATOM 150 CA LEU A 22 -6.605 0.161 -5.241 1.00 0.54 C ATOM 151 C LEU A 22 -5.200 -0.434 -5.325 1.00 0.50 C ATOM 152 O LEU A 22 -4.927 -1.252 -6.202 1.00 0.49 O ATOM 153 CB LEU A 22 -6.677 1.585 -5.830 1.00 0.65 C ATOM 154 CG LEU A 22 -5.428 2.464 -5.727 1.00 1.06 C ATOM 155 CD1 LEU A 22 -4.469 2.185 -6.879 1.00 0.75 C ATOM 156 CD2 LEU A 22 -5.825 3.929 -5.716 1.00 1.93 C ATOM 0 H LEU A 22 -7.326 1.052 -3.487 1.00 0.51 H new ATOM 0 HA LEU A 22 -7.255 -0.465 -5.853 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -6.940 1.498 -6.884 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -7.497 2.109 -5.339 1.00 0.65 H new ATOM 0 HG LEU A 22 -4.915 2.226 -4.795 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -3.590 2.822 -6.783 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -4.164 1.139 -6.853 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -4.967 2.394 -7.826 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -4.931 4.548 -5.642 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -6.357 4.169 -6.636 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -6.472 4.124 -4.861 1.00 1.93 H new ATOM 168 N LEU A 23 -4.327 -0.058 -4.390 1.00 0.51 N ATOM 169 CA LEU A 23 -2.966 -0.582 -4.366 1.00 0.51 C ATOM 170 C LEU A 23 -2.960 -2.094 -4.203 1.00 0.46 C ATOM 171 O LEU A 23 -2.240 -2.795 -4.910 1.00 0.48 O ATOM 172 CB LEU A 23 -2.155 0.046 -3.232 1.00 0.61 C ATOM 173 CG LEU A 23 -1.529 1.412 -3.533 1.00 0.73 C ATOM 174 CD1 LEU A 23 -2.583 2.494 -3.635 1.00 1.47 C ATOM 175 CD2 LEU A 23 -0.504 1.771 -2.471 1.00 1.03 C ATOM 0 H LEU A 23 -4.539 0.604 -3.644 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.508 -0.325 -5.321 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -2.803 0.149 -2.362 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.358 -0.644 -2.956 1.00 0.61 H new ATOM 0 HG LEU A 23 -1.028 1.342 -4.498 1.00 0.73 H new ATOM 0 HD11 LEU A 23 -2.104 3.449 -3.849 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -3.279 2.249 -4.437 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -3.126 2.563 -2.692 1.00 1.47 H new ATOM 0 HD21 LEU A 23 -0.069 2.744 -2.700 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -0.989 1.811 -1.496 1.00 1.03 H new ATOM 0 HD23 LEU A 23 0.283 1.017 -2.455 1.00 1.03 H new ATOM 187 N LYS A 24 -3.756 -2.597 -3.267 1.00 0.45 N ATOM 188 CA LYS A 24 -3.823 -4.032 -3.026 1.00 0.46 C ATOM 189 C LYS A 24 -4.488 -4.763 -4.197 1.00 0.44 C ATOM 190 O LYS A 24 -4.127 -5.890 -4.510 1.00 0.49 O ATOM 191 CB LYS A 24 -4.516 -4.336 -1.684 1.00 0.51 C ATOM 192 CG LYS A 24 -5.880 -5.012 -1.782 1.00 0.53 C ATOM 193 CD LYS A 24 -5.741 -6.518 -1.968 1.00 1.12 C ATOM 194 CE LYS A 24 -7.083 -7.178 -2.208 1.00 1.24 C ATOM 195 NZ LYS A 24 -6.950 -8.643 -2.448 1.00 1.92 N ATOM 0 H LYS A 24 -4.360 -2.036 -2.666 1.00 0.45 H new ATOM 0 HA LYS A 24 -2.803 -4.410 -2.955 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -3.858 -4.972 -1.092 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.633 -3.401 -1.136 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.455 -4.807 -0.879 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.438 -4.590 -2.618 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -5.079 -6.721 -2.810 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -5.274 -6.953 -1.084 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -7.729 -7.009 -1.347 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -7.568 -6.713 -3.066 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -7.884 -9.093 -2.372 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -6.564 -8.805 -3.400 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -6.309 -9.054 -1.740 1.00 1.92 H new ATOM 209 N SER A 25 -5.465 -4.137 -4.835 1.00 0.43 N ATOM 210 CA SER A 25 -6.143 -4.769 -5.959 1.00 0.50 C ATOM 211 C SER A 25 -5.142 -5.095 -7.066 1.00 0.52 C ATOM 212 O SER A 25 -5.229 -6.142 -7.713 1.00 0.74 O ATOM 213 CB SER A 25 -7.270 -3.874 -6.471 1.00 0.55 C ATOM 214 OG SER A 25 -8.221 -3.619 -5.447 1.00 1.00 O ATOM 0 H SER A 25 -5.804 -3.204 -4.599 1.00 0.43 H new ATOM 0 HA SER A 25 -6.588 -5.706 -5.624 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.856 -2.932 -6.831 1.00 0.55 H new ATOM 0 HB3 SER A 25 -7.762 -4.351 -7.319 1.00 0.55 H new ATOM 0 HG SER A 25 -7.867 -2.942 -4.833 1.00 1.00 H new ATOM 220 N ASN A 26 -4.175 -4.211 -7.260 1.00 0.41 N ATOM 221 CA ASN A 26 -3.046 -4.499 -8.133 1.00 0.47 C ATOM 222 C ASN A 26 -1.773 -4.639 -7.303 1.00 0.45 C ATOM 223 O ASN A 26 -0.728 -4.080 -7.630 1.00 0.46 O ATOM 224 CB ASN A 26 -2.896 -3.430 -9.234 1.00 0.55 C ATOM 225 CG ASN A 26 -3.018 -1.991 -8.741 1.00 0.65 C ATOM 226 OD1 ASN A 26 -2.496 -1.692 -7.563 1.00 1.50 O flip ATOM 227 ND2 ASN A 26 -3.560 -1.140 -9.441 1.00 0.74 N flip ATOM 0 H ASN A 26 -4.149 -3.289 -6.825 1.00 0.41 H new ATOM 0 HA ASN A 26 -3.231 -5.445 -8.641 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -1.925 -3.555 -9.714 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -3.654 -3.604 -9.998 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -3.954 -1.399 -10.345 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -3.616 -0.174 -9.118 1.00 0.74 H new ATOM 234 N ARG A 27 -1.886 -5.404 -6.219 1.00 0.46 N ATOM 235 CA ARG A 27 -0.807 -5.571 -5.246 1.00 0.50 C ATOM 236 C ARG A 27 0.439 -6.164 -5.879 1.00 0.48 C ATOM 237 O ARG A 27 1.549 -5.688 -5.659 1.00 0.54 O ATOM 238 CB ARG A 27 -1.279 -6.464 -4.095 1.00 0.57 C ATOM 239 CG ARG A 27 -1.701 -7.870 -4.514 1.00 1.30 C ATOM 240 CD ARG A 27 -2.856 -8.396 -3.672 1.00 2.15 C ATOM 241 NE ARG A 27 -2.880 -9.857 -3.581 1.00 3.26 N ATOM 242 CZ ARG A 27 -2.847 -10.708 -4.609 1.00 4.21 C ATOM 243 NH1 ARG A 27 -2.846 -10.277 -5.867 1.00 4.46 N ATOM 244 NH2 ARG A 27 -2.847 -12.011 -4.357 1.00 5.24 N ATOM 0 H ARG A 27 -2.731 -5.927 -5.990 1.00 0.46 H new ATOM 0 HA ARG A 27 -0.548 -4.583 -4.866 1.00 0.50 H new ATOM 0 HB2 ARG A 27 -0.477 -6.543 -3.361 1.00 0.57 H new ATOM 0 HB3 ARG A 27 -2.119 -5.980 -3.598 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -1.992 -7.863 -5.564 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -0.850 -8.545 -4.424 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -2.787 -7.976 -2.668 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -3.797 -8.049 -4.099 1.00 2.15 H new ATOM 0 HE ARG A 27 -2.926 -10.262 -2.646 1.00 3.26 H new ATOM 0 HH11 ARG A 27 -2.871 -9.276 -6.063 1.00 4.46 H new ATOM 0 HH12 ARG A 27 -2.820 -10.947 -6.636 1.00 4.46 H new ATOM 0 HH21 ARG A 27 -2.872 -12.344 -3.393 1.00 5.24 H new ATOM 0 HH22 ARG A 27 -2.822 -12.679 -5.127 1.00 5.24 H new ATOM 258 N GLU A 28 0.238 -7.207 -6.658 1.00 0.51 N ATOM 259 CA GLU A 28 1.328 -7.899 -7.323 1.00 0.59 C ATOM 260 C GLU A 28 2.081 -6.954 -8.253 1.00 0.55 C ATOM 261 O GLU A 28 3.295 -7.071 -8.415 1.00 0.60 O ATOM 262 CB GLU A 28 0.791 -9.113 -8.077 1.00 0.74 C ATOM 263 CG GLU A 28 0.092 -10.108 -7.161 1.00 1.08 C ATOM 264 CD GLU A 28 -0.398 -11.345 -7.881 1.00 1.55 C ATOM 265 OE1 GLU A 28 0.445 -12.123 -8.378 1.00 2.17 O ATOM 266 OE2 GLU A 28 -1.626 -11.562 -7.930 1.00 1.93 O ATOM 0 H GLU A 28 -0.684 -7.600 -6.849 1.00 0.51 H new ATOM 0 HA GLU A 28 2.036 -8.249 -6.572 1.00 0.59 H new ATOM 0 HB2 GLU A 28 0.093 -8.780 -8.845 1.00 0.74 H new ATOM 0 HB3 GLU A 28 1.614 -9.612 -8.589 1.00 0.74 H new ATOM 0 HG2 GLU A 28 0.779 -10.406 -6.369 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -0.754 -9.617 -6.681 1.00 1.08 H new ATOM 273 N LEU A 29 1.357 -6.007 -8.841 1.00 0.51 N ATOM 274 CA LEU A 29 1.968 -4.981 -9.676 1.00 0.52 C ATOM 275 C LEU A 29 2.936 -4.126 -8.854 1.00 0.49 C ATOM 276 O LEU A 29 3.998 -3.742 -9.331 1.00 0.50 O ATOM 277 CB LEU A 29 0.889 -4.099 -10.313 1.00 0.54 C ATOM 278 CG LEU A 29 1.404 -3.013 -11.262 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.107 -3.634 -12.460 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.261 -2.120 -11.716 1.00 0.57 C ATOM 0 H LEU A 29 0.344 -5.930 -8.754 1.00 0.51 H new ATOM 0 HA LEU A 29 2.530 -5.473 -10.470 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.198 -4.739 -10.861 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.318 -3.621 -9.517 1.00 0.54 H new ATOM 0 HG LEU A 29 2.127 -2.401 -10.723 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.465 -2.845 -13.121 1.00 1.13 H new ATOM 0 HD12 LEU A 29 2.952 -4.231 -12.117 1.00 1.13 H new ATOM 0 HD13 LEU A 29 1.408 -4.272 -13.001 1.00 1.13 H new ATOM 0 HD21 LEU A 29 0.644 -1.353 -12.390 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -0.485 -2.720 -12.236 1.00 0.57 H new ATOM 0 HD23 LEU A 29 -0.196 -1.645 -10.848 1.00 0.57 H new ATOM 292 N LEU A 30 2.560 -3.821 -7.621 1.00 0.50 N ATOM 293 CA LEU A 30 3.443 -3.087 -6.718 1.00 0.54 C ATOM 294 C LEU A 30 4.627 -3.946 -6.286 1.00 0.48 C ATOM 295 O LEU A 30 5.744 -3.446 -6.138 1.00 0.50 O ATOM 296 CB LEU A 30 2.694 -2.565 -5.491 1.00 0.68 C ATOM 297 CG LEU A 30 1.910 -1.262 -5.693 1.00 0.84 C ATOM 298 CD1 LEU A 30 0.759 -1.449 -6.667 1.00 0.91 C ATOM 299 CD2 LEU A 30 1.397 -0.749 -4.359 1.00 1.04 C ATOM 0 H LEU A 30 1.655 -4.068 -7.221 1.00 0.50 H new ATOM 0 HA LEU A 30 3.820 -2.228 -7.272 1.00 0.54 H new ATOM 0 HB2 LEU A 30 2.000 -3.336 -5.157 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.414 -2.413 -4.687 1.00 0.68 H new ATOM 0 HG LEU A 30 2.589 -0.525 -6.122 1.00 0.84 H new ATOM 0 HD11 LEU A 30 0.226 -0.506 -6.786 1.00 0.91 H new ATOM 0 HD12 LEU A 30 1.148 -1.770 -7.633 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.076 -2.206 -6.282 1.00 0.91 H new ATOM 0 HD21 LEU A 30 0.842 0.176 -4.514 1.00 1.04 H new ATOM 0 HD22 LEU A 30 0.741 -1.495 -3.910 1.00 1.04 H new ATOM 0 HD23 LEU A 30 2.239 -0.560 -3.694 1.00 1.04 H new ATOM 311 N VAL A 31 4.380 -5.238 -6.089 1.00 0.45 N ATOM 312 CA VAL A 31 5.434 -6.174 -5.708 1.00 0.45 C ATOM 313 C VAL A 31 6.546 -6.190 -6.758 1.00 0.46 C ATOM 314 O VAL A 31 7.729 -6.056 -6.435 1.00 0.54 O ATOM 315 CB VAL A 31 4.879 -7.605 -5.525 1.00 0.45 C ATOM 316 CG1 VAL A 31 5.990 -8.579 -5.166 1.00 1.20 C ATOM 317 CG2 VAL A 31 3.796 -7.626 -4.459 1.00 1.29 C ATOM 0 H VAL A 31 3.457 -5.662 -6.187 1.00 0.45 H new ATOM 0 HA VAL A 31 5.841 -5.835 -4.755 1.00 0.45 H new ATOM 0 HB VAL A 31 4.442 -7.919 -6.473 1.00 0.45 H new ATOM 0 HG11 VAL A 31 5.572 -9.578 -5.043 1.00 1.20 H new ATOM 0 HG12 VAL A 31 6.734 -8.592 -5.963 1.00 1.20 H new ATOM 0 HG13 VAL A 31 6.462 -8.266 -4.235 1.00 1.20 H new ATOM 0 HG21 VAL A 31 3.418 -8.642 -4.345 1.00 1.29 H new ATOM 0 HG22 VAL A 31 4.212 -7.285 -3.511 1.00 1.29 H new ATOM 0 HG23 VAL A 31 2.981 -6.966 -4.756 1.00 1.29 H new ATOM 327 N THR A 32 6.146 -6.326 -8.015 1.00 0.45 N ATOM 328 CA THR A 32 7.082 -6.337 -9.131 1.00 0.51 C ATOM 329 C THR A 32 7.702 -4.954 -9.363 1.00 0.49 C ATOM 330 O THR A 32 8.825 -4.856 -9.855 1.00 0.55 O ATOM 331 CB THR A 32 6.417 -6.861 -10.432 1.00 0.58 C ATOM 332 OG1 THR A 32 7.308 -6.739 -11.547 1.00 0.71 O ATOM 333 CG2 THR A 32 5.118 -6.134 -10.732 1.00 0.59 C ATOM 0 H THR A 32 5.169 -6.431 -8.289 1.00 0.45 H new ATOM 0 HA THR A 32 7.884 -7.025 -8.862 1.00 0.51 H new ATOM 0 HB THR A 32 6.189 -7.915 -10.271 1.00 0.58 H new ATOM 0 HG1 THR A 32 6.869 -7.077 -12.355 1.00 0.71 H new ATOM 0 HG21 THR A 32 4.683 -6.529 -11.650 1.00 0.59 H new ATOM 0 HG22 THR A 32 4.420 -6.281 -9.908 1.00 0.59 H new ATOM 0 HG23 THR A 32 5.317 -5.069 -10.854 1.00 0.59 H new ATOM 341 N HIS A 33 6.964 -3.894 -8.999 1.00 0.43 N ATOM 342 CA HIS A 33 7.396 -2.507 -9.236 1.00 0.45 C ATOM 343 C HIS A 33 8.862 -2.271 -8.890 1.00 0.51 C ATOM 344 O HIS A 33 9.584 -1.630 -9.654 1.00 0.68 O ATOM 345 CB HIS A 33 6.529 -1.504 -8.459 1.00 0.47 C ATOM 346 CG HIS A 33 5.338 -1.014 -9.229 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.121 -0.597 -8.810 1.00 1.27 N flip ATOM 348 CD2 HIS A 33 5.325 -0.898 -10.603 1.00 1.18 C flip ATOM 349 CE1 HIS A 33 3.406 -0.238 -9.924 1.00 1.03 C flip ATOM 350 NE2 HIS A 33 4.156 -0.428 -10.992 1.00 0.85 N flip ATOM 0 H HIS A 33 6.059 -3.972 -8.536 1.00 0.43 H new ATOM 0 HA HIS A 33 7.272 -2.345 -10.307 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.187 -1.972 -7.536 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.143 -0.650 -8.175 1.00 0.47 H new ATOM 0 HD2 HIS A 33 6.145 -1.152 -11.259 1.00 1.18 H new ATOM 0 HE1 HIS A 33 2.394 0.139 -9.926 1.00 1.03 H new ATOM 0 HE2 HIS A 33 3.879 -0.243 -11.956 1.00 0.85 H new ATOM 359 N ILE A 34 9.311 -2.780 -7.750 1.00 0.51 N ATOM 360 CA ILE A 34 10.691 -2.565 -7.339 1.00 0.62 C ATOM 361 C ILE A 34 11.098 -3.494 -6.194 1.00 0.55 C ATOM 362 O ILE A 34 12.162 -4.110 -6.242 1.00 0.63 O ATOM 363 CB ILE A 34 10.947 -1.081 -6.949 1.00 0.85 C ATOM 364 CG1 ILE A 34 12.399 -0.874 -6.504 1.00 1.71 C ATOM 365 CG2 ILE A 34 9.985 -0.618 -5.864 1.00 1.51 C ATOM 366 CD1 ILE A 34 13.415 -1.180 -7.583 1.00 2.62 C ATOM 0 H ILE A 34 8.750 -3.335 -7.104 1.00 0.51 H new ATOM 0 HA ILE A 34 11.313 -2.804 -8.201 1.00 0.62 H new ATOM 0 HB ILE A 34 10.769 -0.474 -7.837 1.00 0.85 H new ATOM 0 HG12 ILE A 34 12.527 0.159 -6.179 1.00 1.71 H new ATOM 0 HG13 ILE A 34 12.599 -1.507 -5.639 1.00 1.71 H new ATOM 0 HG21 ILE A 34 10.191 0.423 -5.615 1.00 1.51 H new ATOM 0 HG22 ILE A 34 8.960 -0.709 -6.224 1.00 1.51 H new ATOM 0 HG23 ILE A 34 10.114 -1.236 -4.975 1.00 1.51 H new ATOM 0 HD11 ILE A 34 14.420 -1.011 -7.195 1.00 2.62 H new ATOM 0 HD12 ILE A 34 13.316 -2.221 -7.892 1.00 2.62 H new ATOM 0 HD13 ILE A 34 13.243 -0.529 -8.440 1.00 2.62 H new ATOM 378 N ARG A 35 10.249 -3.613 -5.176 1.00 0.67 N ATOM 379 CA ARG A 35 10.605 -4.388 -3.990 1.00 0.80 C ATOM 380 C ARG A 35 9.398 -4.668 -3.100 1.00 0.71 C ATOM 381 O ARG A 35 9.287 -5.747 -2.525 1.00 0.79 O ATOM 382 CB ARG A 35 11.710 -3.674 -3.193 1.00 1.03 C ATOM 383 CG ARG A 35 11.477 -2.192 -2.962 1.00 1.54 C ATOM 384 CD ARG A 35 12.786 -1.475 -2.667 1.00 1.54 C ATOM 385 NE ARG A 35 13.612 -2.206 -1.701 1.00 1.79 N ATOM 386 CZ ARG A 35 14.944 -2.120 -1.647 1.00 2.43 C ATOM 387 NH1 ARG A 35 15.598 -1.300 -2.459 1.00 2.85 N ATOM 388 NH2 ARG A 35 15.617 -2.844 -0.766 1.00 3.25 N ATOM 0 H ARG A 35 9.322 -3.189 -5.147 1.00 0.67 H new ATOM 0 HA ARG A 35 10.981 -5.352 -4.334 1.00 0.80 H new ATOM 0 HB2 ARG A 35 11.815 -4.165 -2.226 1.00 1.03 H new ATOM 0 HB3 ARG A 35 12.656 -3.800 -3.719 1.00 1.03 H new ATOM 0 HG2 ARG A 35 11.007 -1.752 -3.842 1.00 1.54 H new ATOM 0 HG3 ARG A 35 10.787 -2.054 -2.130 1.00 1.54 H new ATOM 0 HD2 ARG A 35 13.344 -1.345 -3.594 1.00 1.54 H new ATOM 0 HD3 ARG A 35 12.573 -0.478 -2.280 1.00 1.54 H new ATOM 0 HE ARG A 35 13.142 -2.816 -1.031 1.00 1.79 H new ATOM 0 HH11 ARG A 35 15.084 -0.730 -3.130 1.00 2.85 H new ATOM 0 HH12 ARG A 35 16.615 -1.240 -2.412 1.00 2.85 H new ATOM 0 HH21 ARG A 35 15.118 -3.466 -0.130 1.00 3.25 H new ATOM 0 HH22 ARG A 35 16.634 -2.780 -0.723 1.00 3.25 H new ATOM 402 N ASN A 36 8.509 -3.678 -2.990 1.00 0.62 N ATOM 403 CA ASN A 36 7.292 -3.784 -2.173 1.00 0.60 C ATOM 404 C ASN A 36 7.642 -4.042 -0.700 1.00 0.64 C ATOM 405 O ASN A 36 6.821 -4.518 0.077 1.00 1.01 O ATOM 406 CB ASN A 36 6.370 -4.890 -2.703 1.00 0.69 C ATOM 407 CG ASN A 36 4.919 -4.696 -2.289 1.00 0.79 C ATOM 408 OD1 ASN A 36 4.159 -4.016 -2.972 1.00 1.26 O ATOM 409 ND2 ASN A 36 4.523 -5.286 -1.172 1.00 1.53 N ATOM 0 H ASN A 36 8.610 -2.780 -3.463 1.00 0.62 H new ATOM 0 HA ASN A 36 6.762 -2.834 -2.240 1.00 0.60 H new ATOM 0 HB2 ASN A 36 6.432 -4.918 -3.791 1.00 0.69 H new ATOM 0 HB3 ASN A 36 6.721 -5.855 -2.338 1.00 0.69 H new ATOM 0 HD21 ASN A 36 3.559 -5.183 -0.855 1.00 1.53 H new ATOM 0 HD22 ASN A 36 5.182 -5.844 -0.629 1.00 1.53 H new ATOM 416 N THR A 37 8.873 -3.726 -0.329 1.00 0.61 N ATOM 417 CA THR A 37 9.339 -3.901 1.038 1.00 0.65 C ATOM 418 C THR A 37 9.447 -2.554 1.743 1.00 0.54 C ATOM 419 O THR A 37 8.943 -2.363 2.846 1.00 0.46 O ATOM 420 CB THR A 37 10.711 -4.594 1.044 1.00 0.79 C ATOM 421 OG1 THR A 37 11.547 -4.006 0.032 1.00 1.15 O ATOM 422 CG2 THR A 37 10.568 -6.089 0.792 1.00 1.47 C ATOM 0 H THR A 37 9.574 -3.343 -0.963 1.00 0.61 H new ATOM 0 HA THR A 37 8.617 -4.522 1.569 1.00 0.65 H new ATOM 0 HB THR A 37 11.166 -4.457 2.025 1.00 0.79 H new ATOM 0 HG1 THR A 37 12.423 -4.445 0.035 1.00 1.15 H new ATOM 0 HG21 THR A 37 11.553 -6.555 0.801 1.00 1.47 H new ATOM 0 HG22 THR A 37 9.949 -6.532 1.572 1.00 1.47 H new ATOM 0 HG23 THR A 37 10.099 -6.251 -0.178 1.00 1.47 H new ATOM 430 N GLN A 38 10.101 -1.621 1.071 1.00 0.58 N ATOM 431 CA GLN A 38 10.282 -0.263 1.571 1.00 0.56 C ATOM 432 C GLN A 38 8.944 0.404 1.911 1.00 0.50 C ATOM 433 O GLN A 38 8.861 1.257 2.796 1.00 0.47 O ATOM 434 CB GLN A 38 11.045 0.551 0.522 1.00 0.68 C ATOM 435 CG GLN A 38 12.519 0.185 0.418 1.00 0.95 C ATOM 436 CD GLN A 38 13.265 0.321 1.730 1.00 1.16 C ATOM 437 OE1 GLN A 38 12.934 1.157 2.568 1.00 1.88 O ATOM 438 NE2 GLN A 38 14.276 -0.508 1.921 1.00 1.52 N ATOM 0 H GLN A 38 10.525 -1.783 0.157 1.00 0.58 H new ATOM 0 HA GLN A 38 10.855 -0.304 2.497 1.00 0.56 H new ATOM 0 HB2 GLN A 38 10.574 0.406 -0.450 1.00 0.68 H new ATOM 0 HB3 GLN A 38 10.959 1.610 0.764 1.00 0.68 H new ATOM 0 HG2 GLN A 38 12.607 -0.842 0.063 1.00 0.95 H new ATOM 0 HG3 GLN A 38 12.993 0.822 -0.329 1.00 0.95 H new ATOM 0 HE21 GLN A 38 14.520 -1.188 1.202 1.00 1.52 H new ATOM 0 HE22 GLN A 38 14.812 -0.467 2.788 1.00 1.52 H new ATOM 447 N CYS A 39 7.891 0.002 1.224 1.00 0.53 N ATOM 448 CA CYS A 39 6.581 0.589 1.445 1.00 0.55 C ATOM 449 C CYS A 39 6.034 0.240 2.831 1.00 0.46 C ATOM 450 O CYS A 39 5.558 1.109 3.566 1.00 0.47 O ATOM 451 CB CYS A 39 5.625 0.107 0.361 1.00 0.66 C ATOM 452 SG CYS A 39 5.567 -1.686 0.163 1.00 1.48 S ATOM 0 H CYS A 39 7.916 -0.726 0.510 1.00 0.53 H new ATOM 0 HA CYS A 39 6.676 1.674 1.397 1.00 0.55 H new ATOM 0 HB2 CYS A 39 4.622 0.468 0.591 1.00 0.66 H new ATOM 0 HB3 CYS A 39 5.915 0.556 -0.589 1.00 0.66 H new ATOM 0 HG CYS A 39 4.725 -1.992 -0.779 1.00 1.48 H new ATOM 458 N LEU A 40 6.124 -1.033 3.190 1.00 0.40 N ATOM 459 CA LEU A 40 5.579 -1.516 4.449 1.00 0.37 C ATOM 460 C LEU A 40 6.371 -1.011 5.649 1.00 0.28 C ATOM 461 O LEU A 40 5.800 -0.801 6.712 1.00 0.30 O ATOM 462 CB LEU A 40 5.435 -3.046 4.452 1.00 0.40 C ATOM 463 CG LEU A 40 6.662 -3.850 4.016 1.00 0.39 C ATOM 464 CD1 LEU A 40 7.622 -4.053 5.177 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.240 -5.190 3.436 1.00 0.48 C ATOM 0 H LEU A 40 6.572 -1.753 2.623 1.00 0.40 H new ATOM 0 HA LEU A 40 4.576 -1.100 4.544 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.162 -3.361 5.459 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.604 -3.311 3.799 1.00 0.40 H new ATOM 0 HG LEU A 40 7.181 -3.283 3.243 1.00 0.39 H new ATOM 0 HD11 LEU A 40 8.485 -4.627 4.840 1.00 0.45 H new ATOM 0 HD12 LEU A 40 7.954 -3.083 5.548 1.00 0.45 H new ATOM 0 HD13 LEU A 40 7.116 -4.594 5.977 1.00 0.45 H new ATOM 0 HD21 LEU A 40 7.124 -5.749 3.131 1.00 0.48 H new ATOM 0 HD22 LEU A 40 5.694 -5.757 4.190 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.598 -5.026 2.570 1.00 0.48 H new ATOM 477 N VAL A 41 7.682 -0.854 5.501 1.00 0.24 N ATOM 478 CA VAL A 41 8.516 -0.407 6.615 1.00 0.23 C ATOM 479 C VAL A 41 8.157 1.012 7.075 1.00 0.24 C ATOM 480 O VAL A 41 8.081 1.270 8.275 1.00 0.26 O ATOM 481 CB VAL A 41 10.020 -0.477 6.297 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.461 -1.913 6.056 1.00 0.31 C ATOM 483 CG2 VAL A 41 10.370 0.396 5.107 1.00 0.33 C ATOM 0 H VAL A 41 8.187 -1.027 4.632 1.00 0.24 H new ATOM 0 HA VAL A 41 8.306 -1.103 7.427 1.00 0.23 H new ATOM 0 HB VAL A 41 10.558 -0.096 7.165 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.528 -1.934 5.833 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.265 -2.508 6.948 1.00 0.31 H new ATOM 0 HG13 VAL A 41 9.907 -2.327 5.214 1.00 0.31 H new ATOM 0 HG21 VAL A 41 11.439 0.326 4.906 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.814 0.059 4.232 1.00 0.33 H new ATOM 0 HG23 VAL A 41 10.109 1.431 5.326 1.00 0.33 H new ATOM 493 N ASP A 42 7.931 1.938 6.142 1.00 0.27 N ATOM 494 CA ASP A 42 7.503 3.285 6.535 1.00 0.32 C ATOM 495 C ASP A 42 6.125 3.206 7.172 1.00 0.30 C ATOM 496 O ASP A 42 5.803 3.949 8.095 1.00 0.31 O ATOM 497 CB ASP A 42 7.503 4.249 5.345 1.00 0.42 C ATOM 498 CG ASP A 42 7.610 5.699 5.791 1.00 1.48 C ATOM 499 OD1 ASP A 42 8.734 6.144 6.113 1.00 2.23 O ATOM 500 OD2 ASP A 42 6.581 6.403 5.828 1.00 1.82 O ATOM 0 H ASP A 42 8.033 1.790 5.138 1.00 0.27 H new ATOM 0 HA ASP A 42 8.215 3.680 7.260 1.00 0.32 H new ATOM 0 HB2 ASP A 42 8.336 4.010 4.684 1.00 0.42 H new ATOM 0 HB3 ASP A 42 6.589 4.113 4.767 1.00 0.42 H new ATOM 505 N ASN A 43 5.338 2.252 6.698 1.00 0.31 N ATOM 506 CA ASN A 43 4.052 1.943 7.279 1.00 0.34 C ATOM 507 C ASN A 43 4.237 1.373 8.690 1.00 0.30 C ATOM 508 O ASN A 43 3.407 1.578 9.575 1.00 0.33 O ATOM 509 CB ASN A 43 3.317 0.960 6.362 1.00 0.42 C ATOM 510 CG ASN A 43 2.321 0.112 7.102 1.00 0.73 C ATOM 511 OD1 ASN A 43 1.144 0.447 7.203 1.00 0.98 O ATOM 512 ND2 ASN A 43 2.803 -0.991 7.636 1.00 1.10 N ATOM 0 H ASN A 43 5.580 1.671 5.895 1.00 0.31 H new ATOM 0 HA ASN A 43 3.451 2.848 7.370 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.803 1.516 5.577 1.00 0.42 H new ATOM 0 HB3 ASN A 43 4.045 0.314 5.871 1.00 0.42 H new ATOM 0 HD21 ASN A 43 2.190 -1.613 8.163 1.00 1.10 H new ATOM 0 HD22 ASN A 43 3.790 -1.224 7.523 1.00 1.10 H new ATOM 519 N LEU A 44 5.352 0.681 8.888 1.00 0.28 N ATOM 520 CA LEU A 44 5.611 -0.047 10.125 1.00 0.31 C ATOM 521 C LEU A 44 5.941 0.952 11.206 1.00 0.34 C ATOM 522 O LEU A 44 5.482 0.838 12.333 1.00 0.48 O ATOM 523 CB LEU A 44 6.764 -1.056 9.939 1.00 0.34 C ATOM 524 CG LEU A 44 8.115 -0.699 10.590 1.00 0.81 C ATOM 525 CD1 LEU A 44 8.143 -1.127 12.044 1.00 0.61 C ATOM 526 CD2 LEU A 44 9.269 -1.339 9.838 1.00 1.93 C ATOM 0 H LEU A 44 6.100 0.608 8.199 1.00 0.28 H new ATOM 0 HA LEU A 44 4.726 -0.617 10.408 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.440 -2.018 10.336 1.00 0.34 H new ATOM 0 HB3 LEU A 44 6.928 -1.191 8.870 1.00 0.34 H new ATOM 0 HG LEU A 44 8.229 0.384 10.542 1.00 0.81 H new ATOM 0 HD11 LEU A 44 9.106 -0.865 12.482 1.00 0.61 H new ATOM 0 HD12 LEU A 44 7.347 -0.619 12.588 1.00 0.61 H new ATOM 0 HD13 LEU A 44 7.997 -2.205 12.109 1.00 0.61 H new ATOM 0 HD21 LEU A 44 10.210 -1.071 10.319 1.00 1.93 H new ATOM 0 HD22 LEU A 44 9.153 -2.423 9.847 1.00 1.93 H new ATOM 0 HD23 LEU A 44 9.274 -0.983 8.808 1.00 1.93 H new ATOM 538 N LEU A 45 6.743 1.929 10.832 1.00 0.33 N ATOM 539 CA LEU A 45 7.045 3.054 11.692 1.00 0.47 C ATOM 540 C LEU A 45 5.745 3.771 12.069 1.00 0.44 C ATOM 541 O LEU A 45 5.548 4.173 13.217 1.00 0.50 O ATOM 542 CB LEU A 45 8.047 3.965 10.945 1.00 0.66 C ATOM 543 CG LEU A 45 8.176 5.428 11.392 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.004 6.248 10.884 1.00 0.77 C ATOM 545 CD2 LEU A 45 8.308 5.543 12.905 1.00 1.28 C ATOM 0 H LEU A 45 7.204 1.965 9.923 1.00 0.33 H new ATOM 0 HA LEU A 45 7.506 2.738 12.628 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.033 3.506 11.021 1.00 0.66 H new ATOM 0 HB3 LEU A 45 7.775 3.963 9.890 1.00 0.66 H new ATOM 0 HG LEU A 45 9.091 5.829 10.955 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.114 7.282 11.211 1.00 0.77 H new ATOM 0 HD12 LEU A 45 6.980 6.213 9.795 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.075 5.839 11.280 1.00 0.77 H new ATOM 0 HD21 LEU A 45 8.397 6.593 13.184 1.00 1.28 H new ATOM 0 HD22 LEU A 45 7.426 5.115 13.381 1.00 1.28 H new ATOM 0 HD23 LEU A 45 9.196 5.003 13.235 1.00 1.28 H new ATOM 557 N LYS A 46 4.850 3.887 11.101 1.00 0.40 N ATOM 558 CA LYS A 46 3.603 4.608 11.287 1.00 0.46 C ATOM 559 C LYS A 46 2.613 3.840 12.175 1.00 0.47 C ATOM 560 O LYS A 46 1.823 4.451 12.894 1.00 0.59 O ATOM 561 CB LYS A 46 2.983 4.913 9.922 1.00 0.48 C ATOM 562 CG LYS A 46 3.193 6.351 9.451 1.00 0.80 C ATOM 563 CD LYS A 46 4.569 6.552 8.841 1.00 1.37 C ATOM 564 CE LYS A 46 4.817 8.002 8.458 1.00 1.51 C ATOM 565 NZ LYS A 46 6.125 8.185 7.773 1.00 2.32 N ATOM 0 H LYS A 46 4.967 3.486 10.170 1.00 0.40 H new ATOM 0 HA LYS A 46 3.827 5.541 11.804 1.00 0.46 H new ATOM 0 HB2 LYS A 46 3.407 4.234 9.182 1.00 0.48 H new ATOM 0 HB3 LYS A 46 1.913 4.709 9.967 1.00 0.48 H new ATOM 0 HG2 LYS A 46 2.429 6.608 8.717 1.00 0.80 H new ATOM 0 HG3 LYS A 46 3.067 7.031 10.293 1.00 0.80 H new ATOM 0 HD2 LYS A 46 5.331 6.229 9.551 1.00 1.37 H new ATOM 0 HD3 LYS A 46 4.669 5.922 7.957 1.00 1.37 H new ATOM 0 HE2 LYS A 46 4.015 8.346 7.805 1.00 1.51 H new ATOM 0 HE3 LYS A 46 4.787 8.623 9.353 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 6.103 9.060 7.212 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 6.883 8.247 8.483 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 6.304 7.375 7.145 1.00 2.32 H new ATOM 579 N ASN A 47 2.653 2.509 12.135 1.00 0.39 N ATOM 580 CA ASN A 47 1.729 1.693 12.935 1.00 0.45 C ATOM 581 C ASN A 47 2.409 1.133 14.184 1.00 0.42 C ATOM 582 O ASN A 47 1.752 0.616 15.085 1.00 0.51 O ATOM 583 CB ASN A 47 1.169 0.541 12.101 1.00 0.47 C ATOM 584 CG ASN A 47 0.177 0.997 11.049 1.00 0.62 C ATOM 585 OD1 ASN A 47 -1.023 1.074 11.301 1.00 1.08 O ATOM 586 ND2 ASN A 47 0.668 1.296 9.860 1.00 1.37 N ATOM 0 H ASN A 47 3.307 1.973 11.564 1.00 0.39 H new ATOM 0 HA ASN A 47 0.913 2.344 13.250 1.00 0.45 H new ATOM 0 HB2 ASN A 47 1.993 0.019 11.614 1.00 0.47 H new ATOM 0 HB3 ASN A 47 0.684 -0.177 12.763 1.00 0.47 H new ATOM 0 HD21 ASN A 47 0.045 1.603 9.113 1.00 1.37 H new ATOM 0 HD22 ASN A 47 1.671 1.220 9.688 1.00 1.37 H new ATOM 593 N ASP A 48 3.730 1.229 14.202 1.00 0.37 N ATOM 594 CA ASP A 48 4.568 0.881 15.355 1.00 0.43 C ATOM 595 C ASP A 48 4.531 -0.613 15.714 1.00 0.42 C ATOM 596 O ASP A 48 4.751 -0.978 16.869 1.00 0.51 O ATOM 597 CB ASP A 48 4.181 1.740 16.571 1.00 0.58 C ATOM 598 CG ASP A 48 5.245 1.750 17.654 1.00 1.13 C ATOM 599 OD1 ASP A 48 6.361 2.259 17.405 1.00 1.12 O ATOM 600 OD2 ASP A 48 4.969 1.245 18.760 1.00 1.90 O ATOM 0 H ASP A 48 4.268 1.558 13.400 1.00 0.37 H new ATOM 0 HA ASP A 48 5.597 1.095 15.066 1.00 0.43 H new ATOM 0 HB2 ASP A 48 3.996 2.763 16.242 1.00 0.58 H new ATOM 0 HB3 ASP A 48 3.247 1.366 16.991 1.00 0.58 H new ATOM 605 N TYR A 49 4.288 -1.473 14.720 1.00 0.42 N ATOM 606 CA TYR A 49 4.443 -2.931 14.895 1.00 0.59 C ATOM 607 C TYR A 49 4.005 -3.699 13.655 1.00 0.69 C ATOM 608 O TYR A 49 4.393 -4.851 13.471 1.00 1.34 O ATOM 609 CB TYR A 49 3.700 -3.476 16.126 1.00 0.72 C ATOM 610 CG TYR A 49 2.187 -3.429 16.054 1.00 0.77 C ATOM 611 CD1 TYR A 49 1.496 -2.264 16.365 1.00 0.71 C ATOM 612 CD2 TYR A 49 1.452 -4.539 15.653 1.00 1.04 C ATOM 613 CE1 TYR A 49 0.121 -2.207 16.278 1.00 0.85 C ATOM 614 CE2 TYR A 49 0.075 -4.489 15.568 1.00 1.22 C ATOM 615 CZ TYR A 49 -0.590 -3.365 15.963 1.00 1.11 C ATOM 616 OH TYR A 49 -1.955 -3.262 15.788 1.00 1.33 O ATOM 0 H TYR A 49 3.984 -1.192 13.788 1.00 0.42 H new ATOM 0 HA TYR A 49 5.510 -3.088 15.056 1.00 0.59 H new ATOM 0 HB2 TYR A 49 4.006 -4.510 16.284 1.00 0.72 H new ATOM 0 HB3 TYR A 49 4.022 -2.911 17.001 1.00 0.72 H new ATOM 0 HD1 TYR A 49 2.045 -1.389 16.680 1.00 0.71 H new ATOM 0 HD2 TYR A 49 1.967 -5.455 15.404 1.00 1.04 H new ATOM 0 HE1 TYR A 49 -0.399 -1.277 16.452 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -0.475 -5.338 15.190 1.00 1.22 H new ATOM 0 HH TYR A 49 -2.161 -3.241 14.830 1.00 1.33 H new ATOM 626 N PHE A 50 3.196 -3.066 12.811 1.00 0.47 N ATOM 627 CA PHE A 50 2.783 -3.654 11.534 1.00 0.47 C ATOM 628 C PHE A 50 3.931 -3.638 10.527 1.00 0.47 C ATOM 629 O PHE A 50 3.799 -3.156 9.400 1.00 0.62 O ATOM 630 CB PHE A 50 1.578 -2.900 10.984 1.00 0.53 C ATOM 631 CG PHE A 50 0.280 -3.310 11.622 1.00 0.63 C ATOM 632 CD1 PHE A 50 -0.094 -4.642 11.680 1.00 0.67 C ATOM 633 CD2 PHE A 50 -0.562 -2.358 12.175 1.00 0.78 C ATOM 634 CE1 PHE A 50 -1.282 -5.018 12.276 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.752 -2.729 12.771 1.00 0.92 C ATOM 636 CZ PHE A 50 -2.127 -4.075 12.780 1.00 0.93 C ATOM 0 H PHE A 50 2.809 -2.139 12.987 1.00 0.47 H new ATOM 0 HA PHE A 50 2.504 -4.694 11.705 1.00 0.47 H new ATOM 0 HB2 PHE A 50 1.727 -1.831 11.134 1.00 0.53 H new ATOM 0 HB3 PHE A 50 1.515 -3.065 9.908 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.551 -5.396 11.254 1.00 0.67 H new ATOM 0 HD2 PHE A 50 -0.285 -1.315 12.140 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -1.542 -6.064 12.343 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -2.388 -1.984 13.227 1.00 0.92 H new ATOM 0 HZ PHE A 50 -3.084 -4.367 13.185 1.00 0.93 H new ATOM 646 N SER A 51 5.057 -4.159 10.969 1.00 0.45 N ATOM 647 CA SER A 51 6.256 -4.256 10.168 1.00 0.55 C ATOM 648 C SER A 51 6.285 -5.520 9.331 1.00 0.59 C ATOM 649 O SER A 51 5.338 -6.303 9.322 1.00 0.54 O ATOM 650 CB SER A 51 7.483 -4.236 11.062 1.00 0.62 C ATOM 651 OG SER A 51 7.457 -5.320 11.963 1.00 0.76 O ATOM 0 H SER A 51 5.165 -4.533 11.912 1.00 0.45 H new ATOM 0 HA SER A 51 6.259 -3.398 9.495 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.385 -4.284 10.452 1.00 0.62 H new ATOM 0 HB3 SER A 51 7.522 -3.297 11.615 1.00 0.62 H new ATOM 0 HG SER A 51 8.256 -5.293 12.530 1.00 0.76 H new ATOM 657 N ALA A 52 7.377 -5.682 8.612 1.00 0.72 N ATOM 658 CA ALA A 52 7.654 -6.891 7.843 1.00 0.76 C ATOM 659 C ALA A 52 7.574 -8.148 8.717 1.00 0.71 C ATOM 660 O ALA A 52 7.246 -9.228 8.227 1.00 0.68 O ATOM 661 CB ALA A 52 9.020 -6.797 7.179 1.00 0.94 C ATOM 0 H ALA A 52 8.108 -4.974 8.541 1.00 0.72 H new ATOM 0 HA ALA A 52 6.888 -6.973 7.072 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.211 -7.707 6.610 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.040 -5.938 6.508 1.00 0.94 H new ATOM 0 HB3 ALA A 52 9.789 -6.679 7.943 1.00 0.94 H new ATOM 667 N GLU A 53 7.898 -8.018 10.000 1.00 0.76 N ATOM 668 CA GLU A 53 7.829 -9.154 10.917 1.00 0.79 C ATOM 669 C GLU A 53 6.374 -9.594 11.110 1.00 0.67 C ATOM 670 O GLU A 53 6.042 -10.769 10.924 1.00 0.67 O ATOM 671 CB GLU A 53 8.485 -8.773 12.252 1.00 0.92 C ATOM 672 CG GLU A 53 8.543 -9.897 13.280 1.00 1.56 C ATOM 673 CD GLU A 53 7.319 -9.949 14.170 1.00 2.33 C ATOM 674 OE1 GLU A 53 7.132 -9.030 14.992 1.00 3.00 O ATOM 675 OE2 GLU A 53 6.531 -10.911 14.045 1.00 2.87 O ATOM 0 H GLU A 53 8.209 -7.145 10.427 1.00 0.76 H new ATOM 0 HA GLU A 53 8.373 -9.999 10.496 1.00 0.79 H new ATOM 0 HB2 GLU A 53 9.500 -8.426 12.056 1.00 0.92 H new ATOM 0 HB3 GLU A 53 7.939 -7.934 12.683 1.00 0.92 H new ATOM 0 HG2 GLU A 53 8.650 -10.850 12.762 1.00 1.56 H new ATOM 0 HG3 GLU A 53 9.431 -9.770 13.900 1.00 1.56 H new ATOM 682 N ASP A 54 5.503 -8.633 11.412 1.00 0.59 N ATOM 683 CA ASP A 54 4.062 -8.889 11.503 1.00 0.53 C ATOM 684 C ASP A 54 3.538 -9.302 10.138 1.00 0.41 C ATOM 685 O ASP A 54 2.656 -10.156 10.005 1.00 0.38 O ATOM 686 CB ASP A 54 3.331 -7.630 12.001 1.00 0.54 C ATOM 687 CG ASP A 54 2.038 -7.342 11.250 1.00 0.59 C ATOM 688 OD1 ASP A 54 0.994 -7.934 11.610 1.00 0.69 O ATOM 689 OD2 ASP A 54 2.055 -6.532 10.303 1.00 0.65 O ATOM 0 H ASP A 54 5.769 -7.666 11.599 1.00 0.59 H new ATOM 0 HA ASP A 54 3.880 -9.695 12.214 1.00 0.53 H new ATOM 0 HB2 ASP A 54 3.108 -7.745 13.062 1.00 0.54 H new ATOM 0 HB3 ASP A 54 3.996 -6.772 11.906 1.00 0.54 H new ATOM 694 N ALA A 55 4.124 -8.694 9.125 1.00 0.39 N ATOM 695 CA ALA A 55 3.804 -8.993 7.750 1.00 0.35 C ATOM 696 C ALA A 55 4.038 -10.460 7.422 1.00 0.33 C ATOM 697 O ALA A 55 3.163 -11.104 6.857 1.00 0.36 O ATOM 698 CB ALA A 55 4.607 -8.104 6.806 1.00 0.43 C ATOM 0 H ALA A 55 4.839 -7.975 9.237 1.00 0.39 H new ATOM 0 HA ALA A 55 2.743 -8.788 7.611 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.352 -8.345 5.774 1.00 0.43 H new ATOM 0 HB2 ALA A 55 4.372 -7.058 7.003 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.672 -8.273 6.965 1.00 0.43 H new ATOM 704 N GLU A 56 5.189 -10.988 7.803 1.00 0.36 N ATOM 705 CA GLU A 56 5.536 -12.371 7.496 1.00 0.41 C ATOM 706 C GLU A 56 4.547 -13.348 8.128 1.00 0.35 C ATOM 707 O GLU A 56 4.188 -14.356 7.518 1.00 0.38 O ATOM 708 CB GLU A 56 6.951 -12.686 7.977 1.00 0.56 C ATOM 709 CG GLU A 56 7.392 -14.100 7.641 1.00 0.96 C ATOM 710 CD GLU A 56 8.757 -14.437 8.190 1.00 1.60 C ATOM 711 OE1 GLU A 56 8.844 -14.862 9.358 1.00 2.44 O ATOM 712 OE2 GLU A 56 9.757 -14.267 7.455 1.00 1.81 O ATOM 0 H GLU A 56 5.902 -10.481 8.327 1.00 0.36 H new ATOM 0 HA GLU A 56 5.489 -12.489 6.413 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.647 -11.978 7.528 1.00 0.56 H new ATOM 0 HB3 GLU A 56 7.002 -12.542 9.056 1.00 0.56 H new ATOM 0 HG2 GLU A 56 6.662 -14.806 8.037 1.00 0.96 H new ATOM 0 HG3 GLU A 56 7.401 -14.225 6.558 1.00 0.96 H new ATOM 719 N ILE A 57 4.104 -13.044 9.343 1.00 0.35 N ATOM 720 CA ILE A 57 3.197 -13.932 10.066 1.00 0.40 C ATOM 721 C ILE A 57 1.896 -14.130 9.290 1.00 0.38 C ATOM 722 O ILE A 57 1.461 -15.260 9.063 1.00 0.45 O ATOM 723 CB ILE A 57 2.867 -13.381 11.473 1.00 0.48 C ATOM 724 CG1 ILE A 57 4.147 -12.973 12.212 1.00 0.60 C ATOM 725 CG2 ILE A 57 2.087 -14.410 12.281 1.00 0.58 C ATOM 726 CD1 ILE A 57 5.161 -14.087 12.349 1.00 0.67 C ATOM 0 H ILE A 57 4.356 -12.194 9.847 1.00 0.35 H new ATOM 0 HA ILE A 57 3.707 -14.890 10.173 1.00 0.40 H new ATOM 0 HB ILE A 57 2.246 -12.493 11.354 1.00 0.48 H new ATOM 0 HG12 ILE A 57 4.609 -12.139 11.684 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.881 -12.613 13.206 1.00 0.60 H new ATOM 0 HG21 ILE A 57 1.864 -14.005 13.268 1.00 0.58 H new ATOM 0 HG22 ILE A 57 1.155 -14.646 11.767 1.00 0.58 H new ATOM 0 HG23 ILE A 57 2.683 -15.317 12.387 1.00 0.58 H new ATOM 0 HD11 ILE A 57 6.037 -13.718 12.883 1.00 0.67 H new ATOM 0 HD12 ILE A 57 4.720 -14.915 12.904 1.00 0.67 H new ATOM 0 HD13 ILE A 57 5.458 -14.432 11.359 1.00 0.67 H new ATOM 738 N VAL A 58 1.286 -13.026 8.879 1.00 0.35 N ATOM 739 CA VAL A 58 0.063 -13.073 8.085 1.00 0.42 C ATOM 740 C VAL A 58 0.350 -13.544 6.658 1.00 0.45 C ATOM 741 O VAL A 58 -0.428 -14.293 6.076 1.00 0.55 O ATOM 742 CB VAL A 58 -0.635 -11.700 8.047 1.00 0.43 C ATOM 743 CG1 VAL A 58 -1.917 -11.767 7.231 1.00 0.56 C ATOM 744 CG2 VAL A 58 -0.916 -11.205 9.459 1.00 0.43 C ATOM 0 H VAL A 58 1.619 -12.084 9.083 1.00 0.35 H new ATOM 0 HA VAL A 58 -0.603 -13.789 8.566 1.00 0.42 H new ATOM 0 HB VAL A 58 0.034 -10.989 7.563 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.392 -10.786 7.219 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -1.683 -12.070 6.210 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -2.596 -12.493 7.679 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.409 -10.234 9.413 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.563 -11.917 9.972 1.00 0.43 H new ATOM 0 HG23 VAL A 58 0.023 -11.109 10.005 1.00 0.43 H new ATOM 754 N CYS A 59 1.490 -13.114 6.123 1.00 0.41 N ATOM 755 CA CYS A 59 1.891 -13.398 4.740 1.00 0.48 C ATOM 756 C CYS A 59 1.878 -14.893 4.434 1.00 0.55 C ATOM 757 O CYS A 59 1.762 -15.296 3.278 1.00 0.63 O ATOM 758 CB CYS A 59 3.285 -12.812 4.485 1.00 0.52 C ATOM 759 SG CYS A 59 4.130 -13.449 3.019 1.00 0.92 S ATOM 0 H CYS A 59 2.169 -12.554 6.638 1.00 0.41 H new ATOM 0 HA CYS A 59 1.165 -12.931 4.074 1.00 0.48 H new ATOM 0 HB2 CYS A 59 3.195 -11.730 4.392 1.00 0.52 H new ATOM 0 HB3 CYS A 59 3.909 -13.006 5.358 1.00 0.52 H new ATOM 0 HG CYS A 59 3.564 -14.556 2.638 1.00 0.92 H new ATOM 765 N ALA A 60 2.000 -15.703 5.477 1.00 0.54 N ATOM 766 CA ALA A 60 1.969 -17.156 5.350 1.00 0.64 C ATOM 767 C ALA A 60 0.759 -17.655 4.546 1.00 0.70 C ATOM 768 O ALA A 60 0.796 -18.751 3.989 1.00 0.78 O ATOM 769 CB ALA A 60 1.976 -17.789 6.732 1.00 0.67 C ATOM 0 H ALA A 60 2.123 -15.373 6.434 1.00 0.54 H new ATOM 0 HA ALA A 60 2.860 -17.454 4.797 1.00 0.64 H new ATOM 0 HB1 ALA A 60 1.953 -18.874 6.635 1.00 0.67 H new ATOM 0 HB2 ALA A 60 2.880 -17.491 7.264 1.00 0.67 H new ATOM 0 HB3 ALA A 60 1.101 -17.456 7.289 1.00 0.67 H new ATOM 775 N CYS A 61 -0.314 -16.866 4.483 1.00 0.69 N ATOM 776 CA CYS A 61 -1.491 -17.267 3.716 1.00 0.76 C ATOM 777 C CYS A 61 -1.742 -16.336 2.506 1.00 0.71 C ATOM 778 O CYS A 61 -1.561 -16.765 1.368 1.00 0.79 O ATOM 779 CB CYS A 61 -2.722 -17.366 4.626 1.00 0.81 C ATOM 780 SG CYS A 61 -2.463 -18.375 6.102 1.00 1.41 S ATOM 0 H CYS A 61 -0.392 -15.960 4.946 1.00 0.69 H new ATOM 0 HA CYS A 61 -1.297 -18.258 3.306 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -3.017 -16.362 4.931 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -3.552 -17.782 4.054 1.00 0.81 H new ATOM 0 HG CYS A 61 -3.554 -18.398 6.809 1.00 1.41 H new ATOM 786 N PRO A 62 -2.153 -15.056 2.704 1.00 0.62 N ATOM 787 CA PRO A 62 -2.426 -14.125 1.596 1.00 0.60 C ATOM 788 C PRO A 62 -1.162 -13.461 1.039 1.00 0.54 C ATOM 789 O PRO A 62 -1.228 -12.403 0.403 1.00 0.49 O ATOM 790 CB PRO A 62 -3.332 -13.060 2.236 1.00 0.58 C ATOM 791 CG PRO A 62 -3.583 -13.518 3.636 1.00 0.60 C ATOM 792 CD PRO A 62 -2.429 -14.402 3.986 1.00 0.57 C ATOM 0 HA PRO A 62 -2.870 -14.645 0.747 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.851 -12.082 2.226 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -4.267 -12.961 1.685 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.649 -12.671 4.319 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.526 -14.059 3.708 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.573 -13.833 4.347 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.686 -15.120 4.765 1.00 0.57 H new ATOM 800 N THR A 63 -0.021 -14.095 1.287 1.00 0.58 N ATOM 801 CA THR A 63 1.291 -13.610 0.853 1.00 0.57 C ATOM 802 C THR A 63 1.580 -12.176 1.323 1.00 0.46 C ATOM 803 O THR A 63 0.803 -11.583 2.077 1.00 0.42 O ATOM 804 CB THR A 63 1.497 -13.734 -0.681 1.00 0.66 C ATOM 805 OG1 THR A 63 0.458 -13.060 -1.404 1.00 0.93 O ATOM 806 CG2 THR A 63 1.540 -15.197 -1.098 1.00 0.94 C ATOM 0 H THR A 63 0.023 -14.974 1.803 1.00 0.58 H new ATOM 0 HA THR A 63 2.014 -14.266 1.338 1.00 0.57 H new ATOM 0 HB THR A 63 2.449 -13.261 -0.922 1.00 0.66 H new ATOM 0 HG1 THR A 63 -0.032 -12.468 -0.796 1.00 0.93 H new ATOM 0 HG21 THR A 63 1.685 -15.264 -2.176 1.00 0.94 H new ATOM 0 HG22 THR A 63 2.365 -15.696 -0.589 1.00 0.94 H new ATOM 0 HG23 THR A 63 0.601 -15.680 -0.827 1.00 0.94 H new ATOM 814 N GLN A 64 2.713 -11.638 0.903 1.00 0.46 N ATOM 815 CA GLN A 64 3.140 -10.306 1.313 1.00 0.44 C ATOM 816 C GLN A 64 2.253 -9.197 0.737 1.00 0.40 C ATOM 817 O GLN A 64 1.882 -8.272 1.462 1.00 0.38 O ATOM 818 CB GLN A 64 4.614 -10.095 0.935 1.00 0.55 C ATOM 819 CG GLN A 64 5.181 -8.741 1.331 1.00 0.81 C ATOM 820 CD GLN A 64 6.682 -8.662 1.114 1.00 1.45 C ATOM 821 OE1 GLN A 64 7.469 -8.955 2.017 1.00 2.09 O ATOM 822 NE2 GLN A 64 7.090 -8.286 -0.091 1.00 2.22 N ATOM 0 H GLN A 64 3.362 -12.108 0.271 1.00 0.46 H new ATOM 0 HA GLN A 64 3.035 -10.243 2.396 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.211 -10.876 1.405 1.00 0.55 H new ATOM 0 HB3 GLN A 64 4.720 -10.218 -0.143 1.00 0.55 H new ATOM 0 HG2 GLN A 64 4.690 -7.960 0.751 1.00 0.81 H new ATOM 0 HG3 GLN A 64 4.957 -8.548 2.380 1.00 0.81 H new ATOM 0 HE21 GLN A 64 6.406 -8.052 -0.811 1.00 2.22 H new ATOM 0 HE22 GLN A 64 8.087 -8.231 -0.298 1.00 2.22 H new ATOM 831 N PRO A 65 1.895 -9.246 -0.557 1.00 0.41 N ATOM 832 CA PRO A 65 1.066 -8.203 -1.160 1.00 0.40 C ATOM 833 C PRO A 65 -0.305 -8.004 -0.482 1.00 0.33 C ATOM 834 O PRO A 65 -0.748 -6.867 -0.315 1.00 0.32 O ATOM 835 CB PRO A 65 0.896 -8.665 -2.603 1.00 0.48 C ATOM 836 CG PRO A 65 1.284 -10.101 -2.627 1.00 0.55 C ATOM 837 CD PRO A 65 2.302 -10.261 -1.546 1.00 0.48 C ATOM 0 HA PRO A 65 1.542 -7.228 -1.056 1.00 0.40 H new ATOM 0 HB2 PRO A 65 -0.134 -8.534 -2.935 1.00 0.48 H new ATOM 0 HB3 PRO A 65 1.524 -8.081 -3.275 1.00 0.48 H new ATOM 0 HG2 PRO A 65 0.421 -10.743 -2.451 1.00 0.55 H new ATOM 0 HG3 PRO A 65 1.696 -10.380 -3.597 1.00 0.55 H new ATOM 0 HD2 PRO A 65 2.288 -11.266 -1.123 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.313 -10.084 -1.914 1.00 0.48 H new ATOM 845 N ASP A 66 -1.001 -9.075 -0.093 1.00 0.31 N ATOM 846 CA ASP A 66 -2.249 -8.893 0.650 1.00 0.29 C ATOM 847 C ASP A 66 -1.951 -8.406 2.056 1.00 0.26 C ATOM 848 O ASP A 66 -2.732 -7.670 2.655 1.00 0.26 O ATOM 849 CB ASP A 66 -3.105 -10.155 0.688 1.00 0.34 C ATOM 850 CG ASP A 66 -3.965 -10.313 -0.551 1.00 0.68 C ATOM 851 OD1 ASP A 66 -4.993 -9.604 -0.669 1.00 1.11 O ATOM 852 OD2 ASP A 66 -3.621 -11.146 -1.414 1.00 1.02 O ATOM 0 H ASP A 66 -0.735 -10.043 -0.272 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.832 -8.140 0.120 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.458 -11.026 0.790 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -3.745 -10.129 1.570 1.00 0.34 H new ATOM 857 N LYS A 67 -0.814 -8.836 2.583 1.00 0.28 N ATOM 858 CA LYS A 67 -0.385 -8.429 3.907 1.00 0.29 C ATOM 859 C LYS A 67 -0.255 -6.904 4.017 1.00 0.29 C ATOM 860 O LYS A 67 -0.605 -6.320 5.048 1.00 0.33 O ATOM 861 CB LYS A 67 0.936 -9.104 4.271 1.00 0.35 C ATOM 862 CG LYS A 67 1.469 -8.665 5.618 1.00 0.64 C ATOM 863 CD LYS A 67 0.427 -8.828 6.711 1.00 0.79 C ATOM 864 CE LYS A 67 0.886 -8.210 8.023 1.00 1.13 C ATOM 865 NZ LYS A 67 1.443 -6.850 7.834 1.00 1.28 N ATOM 0 H LYS A 67 -0.171 -9.470 2.109 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.151 -8.747 4.614 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.797 -10.185 4.276 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.676 -8.881 3.503 1.00 0.35 H new ATOM 0 HG2 LYS A 67 2.354 -9.250 5.868 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.781 -7.622 5.564 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -0.507 -8.362 6.396 1.00 0.79 H new ATOM 0 HD3 LYS A 67 0.219 -9.888 6.861 1.00 0.79 H new ATOM 0 HE2 LYS A 67 0.045 -8.164 8.715 1.00 1.13 H new ATOM 0 HE3 LYS A 67 1.641 -8.850 8.480 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 1.459 -6.352 8.747 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 2.411 -6.920 7.461 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.850 -6.322 7.162 1.00 1.28 H new ATOM 879 N VAL A 68 0.256 -6.256 2.969 1.00 0.27 N ATOM 880 CA VAL A 68 0.362 -4.797 2.977 1.00 0.29 C ATOM 881 C VAL A 68 -1.024 -4.166 2.921 1.00 0.26 C ATOM 882 O VAL A 68 -1.271 -3.148 3.562 1.00 0.28 O ATOM 883 CB VAL A 68 1.271 -4.224 1.858 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.675 -4.795 1.967 1.00 0.47 C ATOM 885 CG2 VAL A 68 0.703 -4.474 0.471 1.00 0.47 C ATOM 0 H VAL A 68 0.597 -6.707 2.120 1.00 0.27 H new ATOM 0 HA VAL A 68 0.849 -4.534 3.916 1.00 0.29 H new ATOM 0 HB VAL A 68 1.313 -3.144 2.000 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.298 -4.382 1.174 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.100 -4.534 2.936 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.635 -5.880 1.869 1.00 0.47 H new ATOM 0 HG21 VAL A 68 1.375 -4.055 -0.278 1.00 0.47 H new ATOM 0 HG22 VAL A 68 0.601 -5.547 0.307 1.00 0.47 H new ATOM 0 HG23 VAL A 68 -0.275 -4.000 0.387 1.00 0.47 H new ATOM 895 N ARG A 69 -1.932 -4.777 2.164 1.00 0.24 N ATOM 896 CA ARG A 69 -3.330 -4.368 2.177 1.00 0.31 C ATOM 897 C ARG A 69 -3.857 -4.309 3.610 1.00 0.25 C ATOM 898 O ARG A 69 -4.477 -3.327 4.003 1.00 0.25 O ATOM 899 CB ARG A 69 -4.159 -5.354 1.342 1.00 0.47 C ATOM 900 CG ARG A 69 -5.494 -5.766 1.955 1.00 0.63 C ATOM 901 CD ARG A 69 -6.541 -4.660 1.902 1.00 0.92 C ATOM 902 NE ARG A 69 -7.808 -5.059 2.537 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.527 -6.142 2.209 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.084 -7.000 1.301 1.00 2.21 N ATOM 905 NH2 ARG A 69 -9.691 -6.373 2.806 1.00 2.61 N ATOM 0 H ARG A 69 -1.724 -5.554 1.537 1.00 0.24 H new ATOM 0 HA ARG A 69 -3.414 -3.372 1.743 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -4.349 -4.908 0.366 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.564 -6.251 1.172 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -5.873 -6.643 1.430 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -5.336 -6.059 2.993 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -6.152 -3.771 2.399 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.728 -4.389 0.863 1.00 0.92 H new ATOM 0 HE ARG A 69 -8.167 -4.465 3.285 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -7.187 -6.840 0.843 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -8.640 -7.820 1.060 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -10.038 -5.726 3.514 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -10.238 -7.197 2.556 1.00 2.61 H new ATOM 919 N LYS A 70 -3.589 -5.354 4.386 1.00 0.24 N ATOM 920 CA LYS A 70 -4.086 -5.433 5.753 1.00 0.26 C ATOM 921 C LYS A 70 -3.567 -4.274 6.602 1.00 0.23 C ATOM 922 O LYS A 70 -4.339 -3.629 7.309 1.00 0.27 O ATOM 923 CB LYS A 70 -3.729 -6.796 6.363 1.00 0.31 C ATOM 924 CG LYS A 70 -3.530 -6.798 7.873 1.00 0.31 C ATOM 925 CD LYS A 70 -2.053 -6.908 8.193 1.00 0.31 C ATOM 926 CE LYS A 70 -1.758 -7.077 9.681 1.00 0.38 C ATOM 927 NZ LYS A 70 -2.595 -8.132 10.321 1.00 0.75 N ATOM 0 H LYS A 70 -3.032 -6.156 4.092 1.00 0.24 H new ATOM 0 HA LYS A 70 -5.172 -5.344 5.736 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.519 -7.505 6.116 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.816 -7.159 5.892 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -3.938 -5.884 8.305 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -4.072 -7.632 8.320 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.635 -7.756 7.650 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -1.544 -6.015 7.830 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -0.705 -7.326 9.812 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -1.926 -6.128 10.190 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -2.029 -8.642 11.029 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -3.415 -7.691 10.785 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -2.926 -8.800 9.596 1.00 0.75 H new ATOM 941 N ILE A 71 -2.275 -3.983 6.509 1.00 0.21 N ATOM 942 CA ILE A 71 -1.692 -2.921 7.321 1.00 0.21 C ATOM 943 C ILE A 71 -2.156 -1.536 6.883 1.00 0.18 C ATOM 944 O ILE A 71 -2.474 -0.692 7.722 1.00 0.20 O ATOM 945 CB ILE A 71 -0.151 -3.008 7.409 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.534 -3.138 6.039 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.215 -4.180 8.287 1.00 0.50 C ATOM 948 CD1 ILE A 71 1.988 -3.587 6.138 1.00 0.57 C ATOM 0 H ILE A 71 -1.619 -4.459 5.890 1.00 0.21 H new ATOM 0 HA ILE A 71 -2.068 -3.080 8.332 1.00 0.21 H new ATOM 0 HB ILE A 71 0.208 -2.071 7.836 1.00 0.28 H new ATOM 0 HG12 ILE A 71 -0.020 -3.852 5.429 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.491 -2.178 5.525 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.300 -4.255 8.360 1.00 0.50 H new ATOM 0 HG22 ILE A 71 -0.206 -4.035 9.282 1.00 0.50 H new ATOM 0 HG23 ILE A 71 -0.184 -5.097 7.854 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.415 -3.660 5.138 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.554 -2.862 6.722 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.036 -4.561 6.625 1.00 0.57 H new ATOM 960 N LEU A 72 -2.212 -1.303 5.579 1.00 0.19 N ATOM 961 CA LEU A 72 -2.706 -0.029 5.068 1.00 0.24 C ATOM 962 C LEU A 72 -4.192 0.133 5.383 1.00 0.25 C ATOM 963 O LEU A 72 -4.685 1.242 5.586 1.00 0.29 O ATOM 964 CB LEU A 72 -2.498 0.108 3.568 1.00 0.39 C ATOM 965 CG LEU A 72 -1.068 0.374 3.075 1.00 0.31 C ATOM 966 CD1 LEU A 72 -0.014 -0.342 3.902 1.00 0.53 C ATOM 967 CD2 LEU A 72 -0.972 -0.063 1.640 1.00 0.88 C ATOM 0 H LEU A 72 -1.926 -1.970 4.862 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.132 0.753 5.565 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -2.853 -0.807 3.094 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -3.133 0.919 3.212 1.00 0.39 H new ATOM 0 HG LEU A 72 -0.870 1.441 3.177 1.00 0.31 H new ATOM 0 HD11 LEU A 72 0.976 -0.115 3.505 1.00 0.53 H new ATOM 0 HD12 LEU A 72 -0.075 -0.008 4.938 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.185 -1.418 3.857 1.00 0.53 H new ATOM 0 HD21 LEU A 72 0.038 0.118 1.271 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -1.199 -1.127 1.568 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.685 0.502 1.039 1.00 0.88 H new ATOM 979 N ASP A 73 -4.903 -0.986 5.408 1.00 0.26 N ATOM 980 CA ASP A 73 -6.338 -0.991 5.680 1.00 0.31 C ATOM 981 C ASP A 73 -6.622 -0.553 7.103 1.00 0.30 C ATOM 982 O ASP A 73 -7.511 0.257 7.351 1.00 0.34 O ATOM 983 CB ASP A 73 -6.914 -2.389 5.486 1.00 0.37 C ATOM 984 CG ASP A 73 -8.044 -2.425 4.481 1.00 0.58 C ATOM 985 OD1 ASP A 73 -8.239 -1.435 3.751 1.00 0.67 O ATOM 986 OD2 ASP A 73 -8.748 -3.450 4.428 1.00 1.16 O ATOM 0 H ASP A 73 -4.507 -1.911 5.242 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.803 -0.294 4.983 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.121 -3.061 5.158 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -7.274 -2.764 6.444 1.00 0.37 H new ATOM 991 N LEU A 74 -5.858 -1.104 8.029 1.00 0.28 N ATOM 992 CA LEU A 74 -6.051 -0.835 9.444 1.00 0.28 C ATOM 993 C LEU A 74 -5.596 0.573 9.801 1.00 0.27 C ATOM 994 O LEU A 74 -6.135 1.199 10.717 1.00 0.31 O ATOM 995 CB LEU A 74 -5.291 -1.872 10.264 1.00 0.30 C ATOM 996 CG LEU A 74 -5.840 -3.295 10.145 1.00 0.37 C ATOM 997 CD1 LEU A 74 -4.734 -4.315 10.353 1.00 0.72 C ATOM 998 CD2 LEU A 74 -6.965 -3.517 11.141 1.00 0.85 C ATOM 0 H LEU A 74 -5.092 -1.746 7.825 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.114 -0.903 9.674 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.247 -1.871 9.951 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -5.310 -1.574 11.312 1.00 0.30 H new ATOM 0 HG LEU A 74 -6.240 -3.425 9.139 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -5.145 -5.321 10.264 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -3.960 -4.172 9.599 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -4.302 -4.186 11.345 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -7.343 -4.534 11.042 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -6.590 -3.366 12.153 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -7.771 -2.810 10.944 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.600 1.069 9.081 1.00 0.24 N ATOM 1011 CA VAL A 75 -4.128 2.424 9.291 1.00 0.24 C ATOM 1012 C VAL A 75 -5.174 3.434 8.795 1.00 0.27 C ATOM 1013 O VAL A 75 -5.400 4.470 9.417 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.769 2.683 8.588 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.957 3.003 7.121 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -2.000 3.784 9.302 1.00 0.23 C ATOM 0 H VAL A 75 -4.107 0.554 8.351 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.976 2.552 10.363 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.180 1.768 8.644 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.985 3.179 6.660 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.448 2.165 6.626 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.574 3.896 7.020 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -1.050 3.952 8.795 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.585 4.703 9.290 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.813 3.487 10.334 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.807 3.097 7.663 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.835 3.926 7.022 1.00 0.37 C ATOM 1028 C GLN A 76 -6.326 5.306 6.590 1.00 0.48 C ATOM 1029 O GLN A 76 -7.108 6.127 6.113 1.00 0.94 O ATOM 1030 CB GLN A 76 -8.074 4.057 7.910 1.00 0.40 C ATOM 1031 CG GLN A 76 -9.044 2.900 7.731 1.00 0.94 C ATOM 1032 CD GLN A 76 -10.238 2.957 8.662 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -10.038 3.450 9.872 1.00 1.63 O flip ATOM 1034 NE2 GLN A 76 -11.335 2.534 8.299 1.00 1.56 N flip ATOM 0 H GLN A 76 -5.616 2.230 7.161 1.00 0.31 H new ATOM 0 HA GLN A 76 -7.112 3.402 6.107 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.765 4.109 8.954 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.584 4.993 7.681 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -9.398 2.891 6.700 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -8.512 1.963 7.894 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -11.451 2.161 7.357 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -12.128 2.557 8.940 1.00 1.56 H new ATOM 1043 N SER A 77 -5.028 5.560 6.749 1.00 0.40 N ATOM 1044 CA SER A 77 -4.424 6.806 6.280 1.00 0.50 C ATOM 1045 C SER A 77 -2.913 6.654 6.057 1.00 0.42 C ATOM 1046 O SER A 77 -2.449 6.589 4.917 1.00 0.39 O ATOM 1047 CB SER A 77 -4.689 7.953 7.267 1.00 0.66 C ATOM 1048 OG SER A 77 -6.078 8.154 7.467 1.00 1.44 O ATOM 0 H SER A 77 -4.374 4.919 7.199 1.00 0.40 H new ATOM 0 HA SER A 77 -4.890 7.045 5.324 1.00 0.50 H new ATOM 0 HB2 SER A 77 -4.211 7.731 8.221 1.00 0.66 H new ATOM 0 HB3 SER A 77 -4.238 8.871 6.890 1.00 0.66 H new ATOM 0 HG SER A 77 -6.578 7.731 6.738 1.00 1.44 H new ATOM 1054 N LYS A 78 -2.152 6.565 7.149 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.691 6.615 7.074 1.00 0.42 C ATOM 1056 C LYS A 78 -0.100 5.505 6.214 1.00 0.45 C ATOM 1057 O LYS A 78 0.620 5.792 5.272 1.00 0.95 O ATOM 1058 CB LYS A 78 -0.066 6.601 8.474 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.349 7.873 9.265 1.00 0.59 C ATOM 1060 CD LYS A 78 -0.120 9.127 8.423 1.00 0.73 C ATOM 1061 CE LYS A 78 1.288 9.173 7.851 1.00 1.17 C ATOM 1062 NZ LYS A 78 1.499 10.353 6.965 1.00 1.13 N ATOM 0 H LYS A 78 -2.522 6.458 8.094 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.444 7.558 6.586 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.447 5.743 9.028 1.00 0.44 H new ATOM 0 HB3 LYS A 78 1.012 6.468 8.383 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.379 7.858 9.622 1.00 0.59 H new ATOM 0 HG3 LYS A 78 0.293 7.904 10.145 1.00 0.59 H new ATOM 0 HD2 LYS A 78 -0.844 9.156 7.609 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.293 10.012 9.035 1.00 0.73 H new ATOM 0 HE2 LYS A 78 2.009 9.201 8.668 1.00 1.17 H new ATOM 0 HE3 LYS A 78 1.479 8.260 7.288 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 2.514 10.458 6.763 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 0.981 10.215 6.074 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 1.150 11.210 7.439 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.425 4.253 6.515 1.00 0.34 N ATOM 1077 CA GLY A 79 0.128 3.128 5.780 1.00 0.30 C ATOM 1078 C GLY A 79 -0.130 3.253 4.302 1.00 0.30 C ATOM 1079 O GLY A 79 0.779 3.105 3.496 1.00 0.33 O ATOM 0 H GLY A 79 -1.068 3.994 7.263 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.202 3.068 5.959 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.309 2.200 6.149 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.375 3.551 3.960 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.772 3.759 2.566 1.00 0.32 C ATOM 1085 C GLU A 80 -0.864 4.789 1.878 1.00 0.32 C ATOM 1086 O GLU A 80 -0.284 4.528 0.822 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.216 4.263 2.528 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.713 4.601 1.136 1.00 0.42 C ATOM 1089 CD GLU A 80 -4.791 5.665 1.149 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -4.441 6.864 1.093 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -5.985 5.317 1.180 1.00 0.50 O ATOM 0 H GLU A 80 -2.136 3.656 4.631 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.682 2.811 2.036 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -3.867 3.503 2.961 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.298 5.149 3.157 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -2.876 4.944 0.528 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -4.102 3.699 0.663 1.00 0.42 H new ATOM 1098 N GLU A 81 -0.701 5.930 2.531 1.00 0.32 N ATOM 1099 CA GLU A 81 0.034 7.057 1.970 1.00 0.35 C ATOM 1100 C GLU A 81 1.543 6.810 1.971 1.00 0.35 C ATOM 1101 O GLU A 81 2.236 7.097 0.995 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.301 8.309 2.783 1.00 0.40 C ATOM 1103 CG GLU A 81 0.532 9.530 2.436 1.00 0.86 C ATOM 1104 CD GLU A 81 0.234 10.696 3.350 1.00 0.80 C ATOM 1105 OE1 GLU A 81 0.374 10.545 4.583 1.00 1.09 O ATOM 1106 OE2 GLU A 81 -0.140 11.774 2.837 1.00 1.15 O ATOM 0 H GLU A 81 -1.074 6.102 3.465 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.265 7.189 0.930 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -1.354 8.550 2.637 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -0.170 8.085 3.842 1.00 0.40 H new ATOM 0 HG2 GLU A 81 1.590 9.278 2.503 1.00 0.86 H new ATOM 0 HG3 GLU A 81 0.338 9.820 1.403 1.00 0.86 H new ATOM 1113 N VAL A 82 2.055 6.286 3.069 1.00 0.33 N ATOM 1114 CA VAL A 82 3.487 6.080 3.208 1.00 0.35 C ATOM 1115 C VAL A 82 3.982 4.934 2.332 1.00 0.35 C ATOM 1116 O VAL A 82 5.092 4.989 1.803 1.00 0.38 O ATOM 1117 CB VAL A 82 3.895 5.846 4.673 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.424 7.006 5.532 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.354 4.531 5.202 1.00 0.46 C ATOM 0 H VAL A 82 1.504 5.995 3.876 1.00 0.33 H new ATOM 0 HA VAL A 82 3.964 6.999 2.868 1.00 0.35 H new ATOM 0 HB VAL A 82 4.983 5.788 4.717 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.716 6.834 6.568 1.00 0.42 H new ATOM 0 HG12 VAL A 82 3.878 7.931 5.176 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.339 7.088 5.470 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.663 4.401 6.239 1.00 0.46 H new ATOM 0 HG22 VAL A 82 2.265 4.536 5.146 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.744 3.709 4.602 1.00 0.46 H new ATOM 1129 N SER A 83 3.158 3.902 2.174 1.00 0.34 N ATOM 1130 CA SER A 83 3.547 2.744 1.390 1.00 0.36 C ATOM 1131 C SER A 83 3.794 3.146 -0.059 1.00 0.33 C ATOM 1132 O SER A 83 4.834 2.807 -0.630 1.00 0.32 O ATOM 1133 CB SER A 83 2.463 1.662 1.464 1.00 0.42 C ATOM 1134 OG SER A 83 1.209 2.169 1.054 1.00 1.28 O ATOM 0 H SER A 83 2.223 3.848 2.578 1.00 0.34 H new ATOM 0 HA SER A 83 4.471 2.339 1.802 1.00 0.36 H new ATOM 0 HB2 SER A 83 2.742 0.819 0.832 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.390 1.285 2.484 1.00 0.42 H new ATOM 0 HG SER A 83 0.730 2.525 1.831 1.00 1.28 H new ATOM 1140 N GLU A 84 2.868 3.910 -0.642 1.00 0.32 N ATOM 1141 CA GLU A 84 3.061 4.371 -2.010 1.00 0.33 C ATOM 1142 C GLU A 84 4.243 5.327 -2.077 1.00 0.30 C ATOM 1143 O GLU A 84 5.162 5.117 -2.854 1.00 0.36 O ATOM 1144 CB GLU A 84 1.801 5.055 -2.565 1.00 0.37 C ATOM 1145 CG GLU A 84 1.260 6.163 -1.673 1.00 0.34 C ATOM 1146 CD GLU A 84 0.506 7.233 -2.433 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -0.140 6.909 -3.443 1.00 0.79 O ATOM 1148 OE2 GLU A 84 0.545 8.407 -2.009 1.00 0.72 O ATOM 0 H GLU A 84 2.001 4.214 -0.199 1.00 0.32 H new ATOM 0 HA GLU A 84 3.264 3.496 -2.628 1.00 0.33 H new ATOM 0 HB2 GLU A 84 2.027 5.470 -3.547 1.00 0.37 H new ATOM 0 HB3 GLU A 84 1.024 4.304 -2.707 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.599 5.726 -0.924 1.00 0.34 H new ATOM 0 HG3 GLU A 84 2.089 6.625 -1.137 1.00 0.34 H new ATOM 1155 N PHE A 85 4.262 6.312 -1.194 1.00 0.26 N ATOM 1156 CA PHE A 85 5.268 7.358 -1.249 1.00 0.25 C ATOM 1157 C PHE A 85 6.677 6.776 -1.179 1.00 0.23 C ATOM 1158 O PHE A 85 7.523 7.098 -2.005 1.00 0.24 O ATOM 1159 CB PHE A 85 5.049 8.356 -0.106 1.00 0.28 C ATOM 1160 CG PHE A 85 5.981 9.535 -0.137 1.00 0.36 C ATOM 1161 CD1 PHE A 85 5.811 10.545 -1.071 1.00 0.46 C ATOM 1162 CD2 PHE A 85 7.026 9.633 0.766 1.00 0.44 C ATOM 1163 CE1 PHE A 85 6.667 11.630 -1.103 1.00 0.57 C ATOM 1164 CE2 PHE A 85 7.885 10.715 0.741 1.00 0.54 C ATOM 1165 CZ PHE A 85 7.706 11.715 -0.196 1.00 0.59 C ATOM 0 H PHE A 85 3.592 6.409 -0.431 1.00 0.26 H new ATOM 0 HA PHE A 85 5.167 7.876 -2.203 1.00 0.25 H new ATOM 0 HB2 PHE A 85 4.021 8.717 -0.145 1.00 0.28 H new ATOM 0 HB3 PHE A 85 5.169 7.836 0.845 1.00 0.28 H new ATOM 0 HD1 PHE A 85 5.000 10.484 -1.782 1.00 0.46 H new ATOM 0 HD2 PHE A 85 7.172 8.854 1.499 1.00 0.44 H new ATOM 0 HE1 PHE A 85 6.524 12.410 -1.836 1.00 0.57 H new ATOM 0 HE2 PHE A 85 8.695 10.779 1.453 1.00 0.54 H new ATOM 0 HZ PHE A 85 8.377 12.561 -0.219 1.00 0.59 H new ATOM 1175 N PHE A 86 6.904 5.879 -0.228 1.00 0.23 N ATOM 1176 CA PHE A 86 8.241 5.378 0.048 1.00 0.27 C ATOM 1177 C PHE A 86 8.724 4.399 -1.028 1.00 0.29 C ATOM 1178 O PHE A 86 9.837 4.530 -1.551 1.00 0.33 O ATOM 1179 CB PHE A 86 8.249 4.707 1.418 1.00 0.30 C ATOM 1180 CG PHE A 86 9.546 4.856 2.149 1.00 0.61 C ATOM 1181 CD1 PHE A 86 9.866 6.050 2.774 1.00 1.18 C ATOM 1182 CD2 PHE A 86 10.441 3.808 2.217 1.00 1.04 C ATOM 1183 CE1 PHE A 86 11.059 6.193 3.452 1.00 1.58 C ATOM 1184 CE2 PHE A 86 11.634 3.945 2.892 1.00 1.45 C ATOM 1185 CZ PHE A 86 11.945 5.137 3.513 1.00 1.58 C ATOM 0 H PHE A 86 6.175 5.483 0.366 1.00 0.23 H new ATOM 0 HA PHE A 86 8.930 6.222 0.041 1.00 0.27 H new ATOM 0 HB2 PHE A 86 7.448 5.130 2.025 1.00 0.30 H new ATOM 0 HB3 PHE A 86 8.030 3.646 1.295 1.00 0.30 H new ATOM 0 HD1 PHE A 86 9.174 6.878 2.730 1.00 1.18 H new ATOM 0 HD2 PHE A 86 10.204 2.871 1.736 1.00 1.04 H new ATOM 0 HE1 PHE A 86 11.299 7.129 3.934 1.00 1.58 H new ATOM 0 HE2 PHE A 86 12.327 3.118 2.935 1.00 1.45 H new ATOM 0 HZ PHE A 86 12.879 5.243 4.045 1.00 1.58 H new ATOM 1195 N LEU A 87 7.891 3.424 -1.374 1.00 0.31 N ATOM 1196 CA LEU A 87 8.285 2.415 -2.355 1.00 0.36 C ATOM 1197 C LEU A 87 8.451 3.071 -3.722 1.00 0.35 C ATOM 1198 O LEU A 87 9.324 2.701 -4.509 1.00 0.39 O ATOM 1199 CB LEU A 87 7.268 1.255 -2.403 1.00 0.40 C ATOM 1200 CG LEU A 87 6.213 1.301 -3.522 1.00 0.60 C ATOM 1201 CD1 LEU A 87 6.714 0.576 -4.763 1.00 0.93 C ATOM 1202 CD2 LEU A 87 4.904 0.690 -3.052 1.00 0.83 C ATOM 0 H LEU A 87 6.950 3.309 -0.997 1.00 0.31 H new ATOM 0 HA LEU A 87 9.241 1.985 -2.056 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.822 0.321 -2.497 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.747 1.221 -1.446 1.00 0.40 H new ATOM 0 HG LEU A 87 6.037 2.346 -3.777 1.00 0.60 H new ATOM 0 HD11 LEU A 87 5.953 0.620 -5.542 1.00 0.93 H new ATOM 0 HD12 LEU A 87 7.627 1.053 -5.120 1.00 0.93 H new ATOM 0 HD13 LEU A 87 6.921 -0.465 -4.517 1.00 0.93 H new ATOM 0 HD21 LEU A 87 4.172 0.733 -3.859 1.00 0.83 H new ATOM 0 HD22 LEU A 87 5.069 -0.349 -2.767 1.00 0.83 H new ATOM 0 HD23 LEU A 87 4.530 1.247 -2.193 1.00 0.83 H new ATOM 1214 N TYR A 88 7.600 4.048 -3.981 1.00 0.34 N ATOM 1215 CA TYR A 88 7.651 4.829 -5.201 1.00 0.37 C ATOM 1216 C TYR A 88 8.840 5.777 -5.209 1.00 0.40 C ATOM 1217 O TYR A 88 9.308 6.150 -6.276 1.00 0.44 O ATOM 1218 CB TYR A 88 6.330 5.542 -5.464 1.00 0.45 C ATOM 1219 CG TYR A 88 5.214 4.570 -5.793 1.00 0.51 C ATOM 1220 CD1 TYR A 88 5.484 3.388 -6.476 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.895 4.833 -5.440 1.00 0.69 C ATOM 1222 CE1 TYR A 88 4.477 2.499 -6.796 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.881 3.944 -5.754 1.00 0.79 C ATOM 1224 CZ TYR A 88 3.178 2.781 -6.434 1.00 0.74 C ATOM 1225 OH TYR A 88 2.175 1.898 -6.753 1.00 0.89 O ATOM 0 H TYR A 88 6.850 4.322 -3.346 1.00 0.34 H new ATOM 0 HA TYR A 88 7.801 4.138 -6.031 1.00 0.37 H new ATOM 0 HB2 TYR A 88 6.054 6.128 -4.587 1.00 0.45 H new ATOM 0 HB3 TYR A 88 6.455 6.243 -6.289 1.00 0.45 H new ATOM 0 HD1 TYR A 88 6.501 3.162 -6.761 1.00 0.53 H new ATOM 0 HD2 TYR A 88 3.658 5.745 -4.913 1.00 0.69 H new ATOM 0 HE1 TYR A 88 4.707 1.587 -7.327 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.862 4.160 -5.468 1.00 0.79 H new ATOM 0 HH TYR A 88 1.318 2.244 -6.426 1.00 0.89 H new ATOM 1235 N LEU A 89 9.300 6.213 -4.032 1.00 0.41 N ATOM 1236 CA LEU A 89 10.541 6.991 -3.962 1.00 0.50 C ATOM 1237 C LEU A 89 11.615 6.251 -4.742 1.00 0.47 C ATOM 1238 O LEU A 89 12.354 6.840 -5.534 1.00 0.48 O ATOM 1239 CB LEU A 89 11.033 7.163 -2.516 1.00 0.66 C ATOM 1240 CG LEU A 89 10.162 8.012 -1.592 1.00 0.70 C ATOM 1241 CD1 LEU A 89 10.718 7.988 -0.179 1.00 1.41 C ATOM 1242 CD2 LEU A 89 10.077 9.443 -2.097 1.00 1.23 C ATOM 0 H LEU A 89 8.845 6.046 -3.135 1.00 0.41 H new ATOM 0 HA LEU A 89 10.344 7.980 -4.377 1.00 0.50 H new ATOM 0 HB2 LEU A 89 11.136 6.173 -2.072 1.00 0.66 H new ATOM 0 HB3 LEU A 89 12.029 7.605 -2.546 1.00 0.66 H new ATOM 0 HG LEU A 89 9.157 7.590 -1.584 1.00 0.70 H new ATOM 0 HD11 LEU A 89 10.089 8.597 0.470 1.00 1.41 H new ATOM 0 HD12 LEU A 89 10.733 6.962 0.189 1.00 1.41 H new ATOM 0 HD13 LEU A 89 11.732 8.388 -0.180 1.00 1.41 H new ATOM 0 HD21 LEU A 89 9.452 10.030 -1.424 1.00 1.23 H new ATOM 0 HD22 LEU A 89 11.077 9.876 -2.134 1.00 1.23 H new ATOM 0 HD23 LEU A 89 9.641 9.451 -3.096 1.00 1.23 H new ATOM 1254 N LEU A 90 11.689 4.951 -4.506 1.00 0.46 N ATOM 1255 CA LEU A 90 12.555 4.081 -5.288 1.00 0.46 C ATOM 1256 C LEU A 90 12.070 3.929 -6.737 1.00 0.40 C ATOM 1257 O LEU A 90 12.867 4.004 -7.670 1.00 0.42 O ATOM 1258 CB LEU A 90 12.676 2.698 -4.633 1.00 0.54 C ATOM 1259 CG LEU A 90 13.603 2.619 -3.411 1.00 0.82 C ATOM 1260 CD1 LEU A 90 14.972 3.191 -3.745 1.00 1.33 C ATOM 1261 CD2 LEU A 90 12.998 3.336 -2.212 1.00 1.59 C ATOM 0 H LEU A 90 11.159 4.473 -3.777 1.00 0.46 H new ATOM 0 HA LEU A 90 13.536 4.555 -5.312 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.681 2.370 -4.333 1.00 0.54 H new ATOM 0 HB3 LEU A 90 13.032 1.991 -5.382 1.00 0.54 H new ATOM 0 HG LEU A 90 13.721 1.569 -3.145 1.00 0.82 H new ATOM 0 HD11 LEU A 90 15.617 3.127 -2.868 1.00 1.33 H new ATOM 0 HD12 LEU A 90 15.414 2.622 -4.563 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.868 4.234 -4.044 1.00 1.33 H new ATOM 0 HD21 LEU A 90 13.678 3.262 -1.363 1.00 1.59 H new ATOM 0 HD22 LEU A 90 12.838 4.386 -2.459 1.00 1.59 H new ATOM 0 HD23 LEU A 90 12.045 2.874 -1.955 1.00 1.59 H new ATOM 1273 N GLN A 91 10.767 3.703 -6.922 1.00 0.36 N ATOM 1274 CA GLN A 91 10.247 3.310 -8.237 1.00 0.35 C ATOM 1275 C GLN A 91 10.109 4.483 -9.222 1.00 0.34 C ATOM 1276 O GLN A 91 10.675 4.432 -10.315 1.00 0.40 O ATOM 1277 CB GLN A 91 8.903 2.596 -8.060 1.00 0.38 C ATOM 1278 CG GLN A 91 8.689 1.451 -9.037 1.00 0.72 C ATOM 1279 CD GLN A 91 7.625 1.734 -10.081 1.00 1.14 C ATOM 1280 OE1 GLN A 91 6.617 2.514 -9.717 1.00 1.74 O flip ATOM 1281 NE2 GLN A 91 7.700 1.238 -11.202 1.00 1.70 N flip ATOM 0 H GLN A 91 10.061 3.783 -6.191 1.00 0.36 H new ATOM 0 HA GLN A 91 10.979 2.635 -8.680 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.837 2.211 -7.042 1.00 0.38 H new ATOM 0 HB3 GLN A 91 8.098 3.320 -8.180 1.00 0.38 H new ATOM 0 HG2 GLN A 91 9.631 1.233 -9.540 1.00 0.72 H new ATOM 0 HG3 GLN A 91 8.411 0.556 -8.480 1.00 0.72 H new ATOM 0 HE21 GLN A 91 8.492 0.643 -11.444 1.00 1.70 H new ATOM 0 HE22 GLN A 91 6.970 1.421 -11.891 1.00 1.70 H new ATOM 1290 N GLN A 92 9.421 5.551 -8.797 1.00 0.31 N ATOM 1291 CA GLN A 92 9.096 6.721 -9.639 1.00 0.36 C ATOM 1292 C GLN A 92 7.986 7.541 -8.984 1.00 0.39 C ATOM 1293 O GLN A 92 6.812 7.180 -9.049 1.00 0.42 O ATOM 1294 CB GLN A 92 8.674 6.340 -11.081 1.00 0.43 C ATOM 1295 CG GLN A 92 7.781 5.108 -11.208 1.00 0.46 C ATOM 1296 CD GLN A 92 8.005 4.381 -12.524 1.00 0.62 C ATOM 1297 OE1 GLN A 92 9.111 4.379 -13.064 1.00 0.87 O ATOM 1298 NE2 GLN A 92 6.966 3.767 -13.056 1.00 0.87 N ATOM 0 H GLN A 92 9.067 5.632 -7.844 1.00 0.31 H new ATOM 0 HA GLN A 92 10.010 7.309 -9.719 1.00 0.36 H new ATOM 0 HB2 GLN A 92 8.154 7.190 -11.524 1.00 0.43 H new ATOM 0 HB3 GLN A 92 9.575 6.175 -11.672 1.00 0.43 H new ATOM 0 HG2 GLN A 92 7.979 4.428 -10.379 1.00 0.46 H new ATOM 0 HG3 GLN A 92 6.736 5.407 -11.132 1.00 0.46 H new ATOM 0 HE21 GLN A 92 6.063 3.788 -12.582 1.00 0.87 H new ATOM 0 HE22 GLN A 92 7.065 3.271 -13.942 1.00 0.87 H new ATOM 1307 N LEU A 93 8.366 8.643 -8.346 1.00 0.48 N ATOM 1308 CA LEU A 93 7.402 9.514 -7.674 1.00 0.61 C ATOM 1309 C LEU A 93 6.454 10.138 -8.678 1.00 0.61 C ATOM 1310 O LEU A 93 5.235 10.032 -8.551 1.00 0.66 O ATOM 1311 CB LEU A 93 8.101 10.640 -6.899 1.00 0.80 C ATOM 1312 CG LEU A 93 8.840 10.223 -5.631 1.00 0.78 C ATOM 1313 CD1 LEU A 93 7.967 9.309 -4.789 1.00 1.28 C ATOM 1314 CD2 LEU A 93 10.167 9.563 -5.969 1.00 1.60 C ATOM 0 H LEU A 93 9.334 8.956 -8.279 1.00 0.48 H new ATOM 0 HA LEU A 93 6.847 8.890 -6.973 1.00 0.61 H new ATOM 0 HB2 LEU A 93 8.812 11.126 -7.567 1.00 0.80 H new ATOM 0 HB3 LEU A 93 7.354 11.387 -6.631 1.00 0.80 H new ATOM 0 HG LEU A 93 9.058 11.117 -5.046 1.00 0.78 H new ATOM 0 HD11 LEU A 93 8.507 9.019 -3.888 1.00 1.28 H new ATOM 0 HD12 LEU A 93 7.053 9.833 -4.512 1.00 1.28 H new ATOM 0 HD13 LEU A 93 7.714 8.417 -5.363 1.00 1.28 H new ATOM 0 HD21 LEU A 93 10.675 9.275 -5.049 1.00 1.60 H new ATOM 0 HD22 LEU A 93 9.988 8.677 -6.578 1.00 1.60 H new ATOM 0 HD23 LEU A 93 10.791 10.264 -6.524 1.00 1.60 H new ATOM 1326 N ALA A 94 7.034 10.770 -9.688 1.00 0.63 N ATOM 1327 CA ALA A 94 6.270 11.483 -10.696 1.00 0.73 C ATOM 1328 C ALA A 94 5.298 10.550 -11.400 1.00 0.71 C ATOM 1329 O ALA A 94 4.185 10.941 -11.754 1.00 0.78 O ATOM 1330 CB ALA A 94 7.215 12.120 -11.705 1.00 0.79 C ATOM 0 H ALA A 94 8.044 10.802 -9.830 1.00 0.63 H new ATOM 0 HA ALA A 94 5.692 12.265 -10.204 1.00 0.73 H new ATOM 0 HB1 ALA A 94 6.636 12.654 -12.459 1.00 0.79 H new ATOM 0 HB2 ALA A 94 7.876 12.819 -11.193 1.00 0.79 H new ATOM 0 HB3 ALA A 94 7.810 11.344 -12.186 1.00 0.79 H new ATOM 1336 N ASP A 95 5.720 9.312 -11.600 1.00 0.65 N ATOM 1337 CA ASP A 95 4.899 8.352 -12.314 1.00 0.67 C ATOM 1338 C ASP A 95 3.814 7.747 -11.427 1.00 0.68 C ATOM 1339 O ASP A 95 2.636 7.740 -11.779 1.00 0.71 O ATOM 1340 CB ASP A 95 5.761 7.232 -12.885 1.00 0.67 C ATOM 1341 CG ASP A 95 4.936 6.216 -13.646 1.00 0.78 C ATOM 1342 OD1 ASP A 95 4.701 6.424 -14.856 1.00 0.88 O ATOM 1343 OD2 ASP A 95 4.513 5.210 -13.038 1.00 0.87 O ATOM 0 H ASP A 95 6.619 8.952 -11.280 1.00 0.65 H new ATOM 0 HA ASP A 95 4.412 8.896 -13.123 1.00 0.67 H new ATOM 0 HB2 ASP A 95 6.515 7.656 -13.547 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.293 6.734 -12.074 1.00 0.67 H new ATOM 1348 N ALA A 96 4.225 7.256 -10.274 1.00 0.67 N ATOM 1349 CA ALA A 96 3.367 6.443 -9.422 1.00 0.72 C ATOM 1350 C ALA A 96 2.421 7.232 -8.513 1.00 0.75 C ATOM 1351 O ALA A 96 1.315 6.787 -8.261 1.00 0.83 O ATOM 1352 CB ALA A 96 4.228 5.514 -8.615 1.00 0.74 C ATOM 0 H ALA A 96 5.161 7.407 -9.898 1.00 0.67 H new ATOM 0 HA ALA A 96 2.704 5.889 -10.087 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.597 4.899 -7.973 1.00 0.74 H new ATOM 0 HB2 ALA A 96 4.798 4.871 -9.286 1.00 0.74 H new ATOM 0 HB3 ALA A 96 4.914 6.096 -8.000 1.00 0.74 H new ATOM 1358 N TYR A 97 2.851 8.387 -8.018 1.00 0.72 N ATOM 1359 CA TYR A 97 2.086 9.121 -6.994 1.00 0.76 C ATOM 1360 C TYR A 97 0.696 9.542 -7.516 1.00 0.86 C ATOM 1361 O TYR A 97 -0.236 9.760 -6.745 1.00 0.96 O ATOM 1362 CB TYR A 97 2.897 10.334 -6.523 1.00 0.71 C ATOM 1363 CG TYR A 97 2.495 10.876 -5.169 1.00 0.72 C ATOM 1364 CD1 TYR A 97 2.822 10.188 -4.005 1.00 0.84 C ATOM 1365 CD2 TYR A 97 1.812 12.078 -5.050 1.00 0.90 C ATOM 1366 CE1 TYR A 97 2.475 10.686 -2.763 1.00 0.96 C ATOM 1367 CE2 TYR A 97 1.460 12.577 -3.811 1.00 1.02 C ATOM 1368 CZ TYR A 97 1.794 11.879 -2.671 1.00 0.98 C ATOM 1369 OH TYR A 97 1.448 12.383 -1.434 1.00 1.18 O ATOM 0 H TYR A 97 3.719 8.841 -8.302 1.00 0.72 H new ATOM 0 HA TYR A 97 1.914 8.459 -6.145 1.00 0.76 H new ATOM 0 HB2 TYR A 97 3.951 10.059 -6.491 1.00 0.71 H new ATOM 0 HB3 TYR A 97 2.798 11.129 -7.262 1.00 0.71 H new ATOM 0 HD1 TYR A 97 3.355 9.251 -4.073 1.00 0.84 H new ATOM 0 HD2 TYR A 97 1.552 12.632 -5.940 1.00 0.90 H new ATOM 0 HE1 TYR A 97 2.737 10.141 -1.868 1.00 0.96 H new ATOM 0 HE2 TYR A 97 0.924 13.512 -3.736 1.00 1.02 H new ATOM 0 HH TYR A 97 0.973 13.233 -1.548 1.00 1.18 H new ATOM 1379 N VAL A 98 0.591 9.669 -8.834 1.00 0.91 N ATOM 1380 CA VAL A 98 -0.668 9.957 -9.538 1.00 1.11 C ATOM 1381 C VAL A 98 -1.700 8.812 -9.403 1.00 1.30 C ATOM 1382 O VAL A 98 -2.843 8.937 -9.849 1.00 1.35 O ATOM 1383 CB VAL A 98 -0.419 10.259 -11.036 1.00 1.24 C ATOM 1384 CG1 VAL A 98 -0.151 8.982 -11.817 1.00 1.74 C ATOM 1385 CG2 VAL A 98 -1.582 11.034 -11.640 1.00 1.72 C ATOM 0 H VAL A 98 1.390 9.574 -9.461 1.00 0.91 H new ATOM 0 HA VAL A 98 -1.086 10.842 -9.058 1.00 1.11 H new ATOM 0 HB VAL A 98 0.471 10.884 -11.104 1.00 1.24 H new ATOM 0 HG11 VAL A 98 0.020 9.226 -12.865 1.00 1.74 H new ATOM 0 HG12 VAL A 98 0.731 8.486 -11.411 1.00 1.74 H new ATOM 0 HG13 VAL A 98 -1.011 8.318 -11.735 1.00 1.74 H new ATOM 0 HG21 VAL A 98 -1.380 11.232 -12.693 1.00 1.72 H new ATOM 0 HG22 VAL A 98 -2.496 10.447 -11.550 1.00 1.72 H new ATOM 0 HG23 VAL A 98 -1.704 11.979 -11.110 1.00 1.72 H new ATOM 1395 N ASP A 99 -1.275 7.710 -8.780 1.00 1.46 N ATOM 1396 CA ASP A 99 -1.856 6.368 -8.961 1.00 1.66 C ATOM 1397 C ASP A 99 -3.377 6.298 -8.835 1.00 1.52 C ATOM 1398 O ASP A 99 -4.003 5.494 -9.527 1.00 1.56 O ATOM 1399 CB ASP A 99 -1.269 5.416 -7.909 1.00 2.08 C ATOM 1400 CG ASP A 99 -1.920 5.576 -6.544 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -1.863 6.683 -5.976 1.00 3.22 O ATOM 1402 OD2 ASP A 99 -2.521 4.605 -6.053 1.00 3.00 O ATOM 0 H ASP A 99 -0.499 7.722 -8.119 1.00 1.46 H new ATOM 0 HA ASP A 99 -1.605 6.087 -9.984 1.00 1.66 H new ATOM 0 HB2 ASP A 99 -1.392 4.387 -8.247 1.00 2.08 H new ATOM 0 HB3 ASP A 99 -0.198 5.596 -7.819 1.00 2.08 H new ATOM 1407 N LEU A 100 -3.977 7.113 -7.981 1.00 1.45 N ATOM 1408 CA LEU A 100 -5.409 7.005 -7.746 1.00 1.47 C ATOM 1409 C LEU A 100 -6.196 7.233 -9.036 1.00 1.29 C ATOM 1410 O LEU A 100 -7.224 6.604 -9.257 1.00 1.31 O ATOM 1411 CB LEU A 100 -5.884 7.967 -6.643 1.00 1.67 C ATOM 1412 CG LEU A 100 -6.140 9.419 -7.064 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -6.710 10.209 -5.898 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -4.867 10.070 -7.573 1.00 2.05 C ATOM 0 H LEU A 100 -3.506 7.844 -7.448 1.00 1.45 H new ATOM 0 HA LEU A 100 -5.601 5.989 -7.400 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -6.804 7.568 -6.216 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -5.138 7.969 -5.848 1.00 1.67 H new ATOM 0 HG LEU A 100 -6.866 9.417 -7.877 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -6.888 11.239 -6.208 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -7.650 9.759 -5.578 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -6.002 10.197 -5.070 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -5.076 11.099 -7.865 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -4.114 10.062 -6.785 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -4.495 9.517 -8.435 1.00 2.05 H new ATOM 1426 N ARG A 101 -5.696 8.098 -9.910 1.00 1.20 N ATOM 1427 CA ARG A 101 -6.446 8.444 -11.107 1.00 1.24 C ATOM 1428 C ARG A 101 -6.461 7.299 -12.130 1.00 1.16 C ATOM 1429 O ARG A 101 -7.538 6.837 -12.509 1.00 1.28 O ATOM 1430 CB ARG A 101 -5.878 9.716 -11.746 1.00 1.33 C ATOM 1431 CG ARG A 101 -6.142 10.990 -10.960 1.00 1.51 C ATOM 1432 CD ARG A 101 -7.552 11.517 -11.188 1.00 1.91 C ATOM 1433 NE ARG A 101 -8.582 10.699 -10.539 1.00 2.59 N ATOM 1434 CZ ARG A 101 -9.604 10.134 -11.183 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -9.677 10.203 -12.508 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -10.544 9.488 -10.505 1.00 4.30 N ATOM 0 H ARG A 101 -4.793 8.563 -9.815 1.00 1.20 H new ATOM 0 HA ARG A 101 -7.477 8.625 -10.801 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -4.801 9.596 -11.868 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -6.302 9.826 -12.744 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -5.994 10.798 -9.897 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -5.419 11.752 -11.250 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -7.617 12.538 -10.813 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -7.750 11.558 -12.259 1.00 1.91 H new ATOM 0 HE ARG A 101 -8.512 10.553 -9.532 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -8.951 10.689 -13.034 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -10.459 9.770 -12.999 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -10.486 9.423 -9.489 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -11.325 9.057 -11.000 1.00 4.30 H new ATOM 1450 N PRO A 102 -5.296 6.810 -12.609 1.00 1.08 N ATOM 1451 CA PRO A 102 -5.283 5.690 -13.550 1.00 1.12 C ATOM 1452 C PRO A 102 -5.611 4.337 -12.912 1.00 1.04 C ATOM 1453 O PRO A 102 -6.457 3.598 -13.408 1.00 1.11 O ATOM 1454 CB PRO A 102 -3.849 5.696 -14.082 1.00 1.21 C ATOM 1455 CG PRO A 102 -3.036 6.305 -12.991 1.00 1.23 C ATOM 1456 CD PRO A 102 -3.934 7.293 -12.300 1.00 1.12 C ATOM 0 HA PRO A 102 -6.050 5.812 -14.315 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -3.509 4.686 -14.311 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -3.772 6.275 -15.002 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -2.687 5.543 -12.294 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -2.151 6.798 -13.394 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -3.752 7.315 -11.226 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -3.775 8.305 -12.671 1.00 1.12 H new ATOM 1464 N TRP A 103 -4.979 4.044 -11.780 1.00 0.95 N ATOM 1465 CA TRP A 103 -5.038 2.705 -11.207 1.00 0.93 C ATOM 1466 C TRP A 103 -6.344 2.407 -10.473 1.00 0.89 C ATOM 1467 O TRP A 103 -6.891 1.317 -10.628 1.00 0.97 O ATOM 1468 CB TRP A 103 -3.813 2.418 -10.337 1.00 0.95 C ATOM 1469 CG TRP A 103 -2.617 1.980 -11.145 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -2.608 1.039 -12.136 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -1.262 2.442 -11.028 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -1.340 0.900 -12.650 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.495 1.745 -11.983 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -0.621 3.374 -10.215 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 0.876 1.957 -12.142 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.737 3.584 -10.370 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.474 2.878 -11.326 1.00 0.69 C ATOM 0 H TRP A 103 -4.424 4.711 -11.245 1.00 0.95 H new ATOM 0 HA TRP A 103 -5.020 2.016 -12.051 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -3.556 3.313 -9.771 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -4.061 1.643 -9.612 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -3.473 0.484 -12.468 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -1.073 0.269 -13.406 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.178 3.926 -9.472 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 1.444 1.413 -12.883 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 1.237 4.306 -9.742 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.534 3.063 -11.422 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.860 3.359 -9.685 1.00 0.84 N ATOM 1489 CA LEU A 104 -8.101 3.114 -8.939 1.00 0.87 C ATOM 1490 C LEU A 104 -9.230 2.781 -9.909 1.00 1.03 C ATOM 1491 O LEU A 104 -10.082 1.939 -9.629 1.00 1.12 O ATOM 1492 CB LEU A 104 -8.439 4.329 -8.046 1.00 0.92 C ATOM 1493 CG LEU A 104 -9.715 4.267 -7.183 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -10.968 4.532 -8.008 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -9.822 2.933 -6.463 1.00 1.78 C ATOM 0 H LEU A 104 -6.450 4.283 -9.549 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.968 2.257 -8.279 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -7.594 4.497 -7.379 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -8.515 5.205 -8.690 1.00 0.92 H new ATOM 0 HG LEU A 104 -9.637 5.057 -6.436 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -11.846 4.479 -7.364 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -10.906 5.524 -8.456 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -11.050 3.783 -8.795 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -10.731 2.916 -5.862 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -9.856 2.126 -7.195 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -8.956 2.799 -5.815 1.00 1.78 H new ATOM 1507 N LEU A 105 -9.205 3.419 -11.070 1.00 1.12 N ATOM 1508 CA LEU A 105 -10.230 3.207 -12.077 1.00 1.36 C ATOM 1509 C LEU A 105 -10.101 1.818 -12.701 1.00 1.52 C ATOM 1510 O LEU A 105 -11.097 1.174 -13.032 1.00 1.75 O ATOM 1511 CB LEU A 105 -10.122 4.283 -13.159 1.00 1.47 C ATOM 1512 CG LEU A 105 -11.204 4.239 -14.237 1.00 1.76 C ATOM 1513 CD1 LEU A 105 -12.578 4.481 -13.630 1.00 1.98 C ATOM 1514 CD2 LEU A 105 -10.908 5.260 -15.323 1.00 2.39 C ATOM 0 H LEU A 105 -8.484 4.089 -11.337 1.00 1.12 H new ATOM 0 HA LEU A 105 -11.207 3.275 -11.598 1.00 1.36 H new ATOM 0 HB2 LEU A 105 -10.151 5.261 -12.679 1.00 1.47 H new ATOM 0 HB3 LEU A 105 -9.149 4.193 -13.641 1.00 1.47 H new ATOM 0 HG LEU A 105 -11.204 3.246 -14.687 1.00 1.76 H new ATOM 0 HD11 LEU A 105 -13.334 4.446 -14.415 1.00 1.98 H new ATOM 0 HD12 LEU A 105 -12.789 3.711 -12.888 1.00 1.98 H new ATOM 0 HD13 LEU A 105 -12.597 5.460 -13.152 1.00 1.98 H new ATOM 0 HD21 LEU A 105 -11.687 5.218 -16.084 1.00 2.39 H new ATOM 0 HD22 LEU A 105 -10.881 6.258 -14.886 1.00 2.39 H new ATOM 0 HD23 LEU A 105 -9.943 5.037 -15.778 1.00 2.39 H new ATOM 1526 N GLU A 106 -8.864 1.361 -12.854 1.00 1.49 N ATOM 1527 CA GLU A 106 -8.589 0.093 -13.521 1.00 1.76 C ATOM 1528 C GLU A 106 -9.050 -1.105 -12.703 1.00 1.76 C ATOM 1529 O GLU A 106 -9.711 -2.003 -13.223 1.00 2.02 O ATOM 1530 CB GLU A 106 -7.099 -0.032 -13.828 1.00 1.86 C ATOM 1531 CG GLU A 106 -6.625 0.979 -14.855 1.00 2.09 C ATOM 1532 CD GLU A 106 -5.196 0.749 -15.296 1.00 2.61 C ATOM 1533 OE1 GLU A 106 -4.827 -0.418 -15.551 1.00 2.89 O ATOM 1534 OE2 GLU A 106 -4.446 1.735 -15.435 1.00 2.91 O ATOM 0 H GLU A 106 -8.032 1.851 -12.524 1.00 1.49 H new ATOM 0 HA GLU A 106 -9.157 0.093 -14.451 1.00 1.76 H new ATOM 0 HB2 GLU A 106 -6.531 0.098 -12.907 1.00 1.86 H new ATOM 0 HB3 GLU A 106 -6.891 -1.038 -14.192 1.00 1.86 H new ATOM 0 HG2 GLU A 106 -7.279 0.938 -15.726 1.00 2.09 H new ATOM 0 HG3 GLU A 106 -6.713 1.982 -14.437 1.00 2.09 H new ATOM 1541 N ILE A 107 -8.727 -1.114 -11.423 1.00 1.51 N ATOM 1542 CA ILE A 107 -9.015 -2.277 -10.596 1.00 1.56 C ATOM 1543 C ILE A 107 -10.262 -2.092 -9.736 1.00 1.62 C ATOM 1544 O ILE A 107 -10.775 -3.061 -9.171 1.00 1.82 O ATOM 1545 CB ILE A 107 -7.802 -2.662 -9.708 1.00 1.47 C ATOM 1546 CG1 ILE A 107 -7.164 -1.436 -9.032 1.00 1.98 C ATOM 1547 CG2 ILE A 107 -6.762 -3.402 -10.536 1.00 2.24 C ATOM 1548 CD1 ILE A 107 -8.011 -0.809 -7.954 1.00 2.47 C ATOM 0 H ILE A 107 -8.271 -0.342 -10.936 1.00 1.51 H new ATOM 0 HA ILE A 107 -9.213 -3.096 -11.288 1.00 1.56 H new ATOM 0 HB ILE A 107 -8.172 -3.315 -8.917 1.00 1.47 H new ATOM 0 HG12 ILE A 107 -6.208 -1.731 -8.600 1.00 1.98 H new ATOM 0 HG13 ILE A 107 -6.952 -0.685 -9.793 1.00 1.98 H new ATOM 0 HG21 ILE A 107 -5.915 -3.668 -9.903 1.00 2.24 H new ATOM 0 HG22 ILE A 107 -7.204 -4.308 -10.950 1.00 2.24 H new ATOM 0 HG23 ILE A 107 -6.421 -2.761 -11.349 1.00 2.24 H new ATOM 0 HD11 ILE A 107 -7.486 0.048 -7.531 1.00 2.47 H new ATOM 0 HD12 ILE A 107 -8.958 -0.480 -8.381 1.00 2.47 H new ATOM 0 HD13 ILE A 107 -8.202 -1.541 -7.169 1.00 2.47 H new ATOM 1560 N GLY A 108 -10.758 -0.861 -9.657 1.00 1.55 N ATOM 1561 CA GLY A 108 -11.884 -0.568 -8.787 1.00 1.84 C ATOM 1562 C GLY A 108 -11.523 -0.794 -7.334 1.00 1.65 C ATOM 1563 O GLY A 108 -10.707 -0.065 -6.777 1.00 2.19 O ATOM 0 H GLY A 108 -10.401 -0.061 -10.179 1.00 1.55 H new ATOM 0 HA2 GLY A 108 -12.199 0.466 -8.930 1.00 1.84 H new ATOM 0 HA3 GLY A 108 -12.730 -1.199 -9.057 1.00 1.84 H new ATOM 1567 N PHE A 109 -12.134 -1.798 -6.725 1.00 1.90 N ATOM 1568 CA PHE A 109 -11.737 -2.257 -5.400 1.00 2.74 C ATOM 1569 C PHE A 109 -12.507 -3.519 -5.035 1.00 3.47 C ATOM 1570 O PHE A 109 -13.730 -3.502 -4.885 1.00 4.14 O ATOM 1571 CB PHE A 109 -11.909 -1.162 -4.324 1.00 3.42 C ATOM 1572 CG PHE A 109 -13.318 -0.679 -4.099 1.00 4.00 C ATOM 1573 CD1 PHE A 109 -13.948 0.137 -5.025 1.00 4.33 C ATOM 1574 CD2 PHE A 109 -14.004 -1.031 -2.946 1.00 4.67 C ATOM 1575 CE1 PHE A 109 -15.236 0.589 -4.808 1.00 5.24 C ATOM 1576 CE2 PHE A 109 -15.289 -0.580 -2.722 1.00 5.60 C ATOM 1577 CZ PHE A 109 -15.906 0.229 -3.655 1.00 5.86 C ATOM 0 H PHE A 109 -12.914 -2.316 -7.130 1.00 1.90 H new ATOM 0 HA PHE A 109 -10.673 -2.490 -5.432 1.00 2.74 H new ATOM 0 HB2 PHE A 109 -11.521 -1.543 -3.380 1.00 3.42 H new ATOM 0 HB3 PHE A 109 -11.292 -0.307 -4.601 1.00 3.42 H new ATOM 0 HD1 PHE A 109 -13.427 0.423 -5.927 1.00 4.33 H new ATOM 0 HD2 PHE A 109 -13.527 -1.666 -2.214 1.00 4.67 H new ATOM 0 HE1 PHE A 109 -15.718 1.222 -5.538 1.00 5.24 H new ATOM 0 HE2 PHE A 109 -15.811 -0.859 -1.819 1.00 5.60 H new ATOM 0 HZ PHE A 109 -16.913 0.580 -3.483 1.00 5.86 H new ATOM 1587 N SER A 110 -11.790 -4.627 -4.947 1.00 3.90 N ATOM 1588 CA SER A 110 -12.399 -5.908 -4.642 1.00 5.06 C ATOM 1589 C SER A 110 -11.407 -6.802 -3.902 1.00 5.73 C ATOM 1590 O SER A 110 -10.507 -7.363 -4.556 1.00 6.28 O ATOM 1591 CB SER A 110 -12.872 -6.584 -5.932 1.00 5.62 C ATOM 1592 OG SER A 110 -13.788 -5.753 -6.631 1.00 5.57 O ATOM 0 H SER A 110 -10.780 -4.663 -5.084 1.00 3.90 H new ATOM 0 HA SER A 110 -13.262 -5.744 -3.997 1.00 5.06 H new ATOM 0 HB2 SER A 110 -12.015 -6.803 -6.568 1.00 5.62 H new ATOM 0 HB3 SER A 110 -13.346 -7.537 -5.696 1.00 5.62 H new ATOM 0 HG SER A 110 -14.076 -6.203 -7.453 1.00 5.57 H new TER 1598 SER A 110