USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 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 59 SER OG : rot -83:sc= 1.98 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.653 K(o=2.6,f=1.8) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.721 K(o=-1,f=0.72) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -163:sc= -0.29 (180deg=0.79) USER MOD Set 3.1: A 41 GLN : amide:sc= -1.07 K(o=-5.7,f=-12!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.209 K(o=-5.7,f=-7!) USER MOD Set 3.3: A 79 CYS SG : rot 140:sc= -0.335 USER MOD Set 3.4: A 82 HIS : no HE2:sc= -4.06 K(o=-5.7,f=-17!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.25 USER MOD Single : A 14 GLN : amide:sc= -0.0653 K(o=-0.065,f=-0.76) USER MOD Single : A 15 ASN : amide:sc= -2.13! K(o=-2.1!,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -170:sc= -1.75! USER MOD Single : A 27 HIS : no HE2:sc= 0.661 K(o=1.1,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.635 X(o=-0.64,f=-0.16) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -2.86! (180deg=-4.68!) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0334) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -152:sc= -0.0828 (180deg=-0.416) USER MOD Single : A 58 ASN : amide:sc= 0.256 K(o=0.26,f=-0.59) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 165:sc= -0.277 (180deg=-0.731) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0.444 (180deg=0.0106) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -104:sc= -1.09 (180deg=-3.4!) USER MOD Single : A 90 SER OG : rot 160:sc= -1.49! USER MOD Single : A 91 THR OG1 : rot 150:sc= -1.15 USER MOD Single : A 92 GLN : amide:sc= -0.902 K(o=-0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.947 -6.681 -0.061 1.00 5.20 N ATOM 90 CA GLU A 7 15.902 -6.457 0.949 1.00 21.41 C ATOM 91 C GLU A 7 15.162 -5.120 0.749 1.00 54.21 C ATOM 92 O GLU A 7 15.635 -4.072 1.181 1.00 35.22 O ATOM 93 CB GLU A 7 16.512 -6.501 2.355 1.00 21.43 C ATOM 94 CG GLU A 7 17.107 -7.853 2.733 1.00 13.21 C ATOM 95 CD GLU A 7 17.795 -7.830 4.090 1.00 33.32 C ATOM 96 OE1 GLU A 7 17.121 -8.080 5.114 1.00 55.42 O ATOM 97 OE2 GLU A 7 19.016 -7.566 4.139 1.00 51.32 O ATOM 0 HA GLU A 7 15.170 -7.256 0.832 1.00 21.41 H new ATOM 0 HB2 GLU A 7 17.290 -5.741 2.426 1.00 21.43 H new ATOM 0 HB3 GLU A 7 15.743 -6.239 3.082 1.00 21.43 H new ATOM 0 HG2 GLU A 7 16.317 -8.604 2.743 1.00 13.21 H new ATOM 0 HG3 GLU A 7 17.825 -8.156 1.971 1.00 13.21 H new ATOM 104 N VAL A 8 14.001 -5.163 0.088 1.00 41.41 N ATOM 105 CA VAL A 8 13.166 -3.964 -0.087 1.00 32.21 C ATOM 106 C VAL A 8 11.962 -3.961 0.874 1.00 3.02 C ATOM 107 O VAL A 8 11.470 -5.016 1.290 1.00 5.43 O ATOM 108 CB VAL A 8 12.654 -3.830 -1.545 1.00 14.23 C ATOM 109 CG1 VAL A 8 13.825 -3.766 -2.528 1.00 52.14 C ATOM 110 CG2 VAL A 8 11.703 -4.974 -1.899 1.00 53.45 C ATOM 0 H VAL A 8 13.617 -6.009 -0.334 1.00 41.41 H new ATOM 0 HA VAL A 8 13.805 -3.112 0.144 1.00 32.21 H new ATOM 0 HB VAL A 8 12.097 -2.897 -1.623 1.00 14.23 H new ATOM 0 HG11 VAL A 8 13.442 -3.672 -3.544 1.00 52.14 H new ATOM 0 HG12 VAL A 8 14.449 -2.904 -2.294 1.00 52.14 H new ATOM 0 HG13 VAL A 8 14.419 -4.677 -2.447 1.00 52.14 H new ATOM 0 HG21 VAL A 8 11.359 -4.856 -2.926 1.00 53.45 H new ATOM 0 HG22 VAL A 8 12.225 -5.926 -1.798 1.00 53.45 H new ATOM 0 HG23 VAL A 8 10.846 -4.957 -1.225 1.00 53.45 H new ATOM 120 N VAL A 9 11.494 -2.764 1.225 1.00 54.34 N ATOM 121 CA VAL A 9 10.361 -2.596 2.145 1.00 23.23 C ATOM 122 C VAL A 9 9.269 -1.689 1.544 1.00 24.32 C ATOM 123 O VAL A 9 9.566 -0.707 0.857 1.00 3.14 O ATOM 124 CB VAL A 9 10.823 -2.005 3.505 1.00 62.41 C ATOM 125 CG1 VAL A 9 11.802 -2.946 4.207 1.00 22.42 C ATOM 126 CG2 VAL A 9 11.447 -0.623 3.318 1.00 21.32 C ATOM 0 H VAL A 9 11.884 -1.886 0.884 1.00 54.34 H new ATOM 0 HA VAL A 9 9.942 -3.589 2.308 1.00 23.23 H new ATOM 0 HB VAL A 9 9.941 -1.898 4.137 1.00 62.41 H new ATOM 0 HG11 VAL A 9 12.110 -2.508 5.157 1.00 22.42 H new ATOM 0 HG12 VAL A 9 11.317 -3.905 4.390 1.00 22.42 H new ATOM 0 HG13 VAL A 9 12.678 -3.096 3.576 1.00 22.42 H new ATOM 0 HG21 VAL A 9 11.762 -0.232 4.286 1.00 21.32 H new ATOM 0 HG22 VAL A 9 12.312 -0.700 2.659 1.00 21.32 H new ATOM 0 HG23 VAL A 9 10.713 0.051 2.876 1.00 21.32 H new ATOM 136 N ALA A 10 8.007 -2.030 1.806 1.00 53.43 N ATOM 137 CA ALA A 10 6.866 -1.234 1.335 1.00 3.43 C ATOM 138 C ALA A 10 6.453 -0.182 2.377 1.00 13.22 C ATOM 139 O ALA A 10 6.031 -0.519 3.485 1.00 43.33 O ATOM 140 CB ALA A 10 5.686 -2.145 1.007 1.00 53.34 C ATOM 0 H ALA A 10 7.745 -2.856 2.344 1.00 53.43 H new ATOM 0 HA ALA A 10 7.172 -0.709 0.430 1.00 3.43 H new ATOM 0 HB1 ALA A 10 4.847 -1.543 0.659 1.00 53.34 H new ATOM 0 HB2 ALA A 10 5.976 -2.849 0.227 1.00 53.34 H new ATOM 0 HB3 ALA A 10 5.392 -2.695 1.901 1.00 53.34 H new ATOM 146 N ILE A 11 6.581 1.089 2.012 1.00 70.44 N ATOM 147 CA ILE A 11 6.254 2.203 2.906 1.00 15.11 C ATOM 148 C ILE A 11 4.858 2.783 2.607 1.00 43.34 C ATOM 149 O ILE A 11 4.660 3.465 1.597 1.00 63.52 O ATOM 150 CB ILE A 11 7.304 3.335 2.784 1.00 2.35 C ATOM 151 CG1 ILE A 11 8.732 2.769 2.913 1.00 4.55 C ATOM 152 CG2 ILE A 11 7.056 4.422 3.828 1.00 24.31 C ATOM 153 CD1 ILE A 11 8.996 2.036 4.214 1.00 3.01 C ATOM 0 H ILE A 11 6.913 1.379 1.092 1.00 70.44 H new ATOM 0 HA ILE A 11 6.260 1.804 3.920 1.00 15.11 H new ATOM 0 HB ILE A 11 7.204 3.786 1.797 1.00 2.35 H new ATOM 0 HG12 ILE A 11 8.917 2.089 2.082 1.00 4.55 H new ATOM 0 HG13 ILE A 11 9.445 3.588 2.820 1.00 4.55 H new ATOM 0 HG21 ILE A 11 7.806 5.206 3.722 1.00 24.31 H new ATOM 0 HG22 ILE A 11 6.063 4.848 3.681 1.00 24.31 H new ATOM 0 HG23 ILE A 11 7.122 3.989 4.826 1.00 24.31 H new ATOM 0 HD11 ILE A 11 10.023 1.670 4.224 1.00 3.01 H new ATOM 0 HD12 ILE A 11 8.846 2.717 5.052 1.00 3.01 H new ATOM 0 HD13 ILE A 11 8.310 1.194 4.303 1.00 3.01 H new ATOM 165 N ILE A 12 3.902 2.510 3.488 1.00 2.14 N ATOM 166 CA ILE A 12 2.530 3.006 3.335 1.00 72.01 C ATOM 167 C ILE A 12 2.312 4.291 4.156 1.00 13.44 C ATOM 168 O ILE A 12 2.610 4.340 5.354 1.00 75.12 O ATOM 169 CB ILE A 12 1.476 1.938 3.756 1.00 63.43 C ATOM 170 CG1 ILE A 12 1.570 0.675 2.871 1.00 23.15 C ATOM 171 CG2 ILE A 12 0.068 2.522 3.694 1.00 22.31 C ATOM 172 CD1 ILE A 12 2.771 -0.202 3.159 1.00 32.30 C ATOM 0 H ILE A 12 4.049 1.944 4.323 1.00 2.14 H new ATOM 0 HA ILE A 12 2.393 3.227 2.276 1.00 72.01 H new ATOM 0 HB ILE A 12 1.692 1.646 4.784 1.00 63.43 H new ATOM 0 HG12 ILE A 12 0.664 0.084 3.004 1.00 23.15 H new ATOM 0 HG13 ILE A 12 1.601 0.980 1.825 1.00 23.15 H new ATOM 0 HG21 ILE A 12 -0.655 1.762 3.991 1.00 22.31 H new ATOM 0 HG22 ILE A 12 -0.003 3.374 4.370 1.00 22.31 H new ATOM 0 HG23 ILE A 12 -0.146 2.848 2.676 1.00 22.31 H new ATOM 0 HD11 ILE A 12 2.759 -1.065 2.494 1.00 32.30 H new ATOM 0 HD12 ILE A 12 3.685 0.369 2.997 1.00 32.30 H new ATOM 0 HD13 ILE A 12 2.734 -0.541 4.194 1.00 32.30 H new ATOM 184 N SER A 13 1.781 5.325 3.503 1.00 73.44 N ATOM 185 CA SER A 13 1.580 6.639 4.137 1.00 31.31 C ATOM 186 C SER A 13 0.159 7.173 3.902 1.00 31.30 C ATOM 187 O SER A 13 -0.514 6.787 2.948 1.00 73.24 O ATOM 188 CB SER A 13 2.605 7.647 3.588 1.00 0.11 C ATOM 189 OG SER A 13 3.932 7.182 3.775 1.00 43.42 O ATOM 0 H SER A 13 1.479 5.282 2.530 1.00 73.44 H new ATOM 0 HA SER A 13 1.720 6.513 5.211 1.00 31.31 H new ATOM 0 HB2 SER A 13 2.422 7.815 2.527 1.00 0.11 H new ATOM 0 HB3 SER A 13 2.479 8.607 4.089 1.00 0.11 H new ATOM 0 HG SER A 13 4.563 7.840 3.416 1.00 43.42 H new ATOM 195 N GLN A 14 -0.288 8.067 4.784 1.00 23.30 N ATOM 196 CA GLN A 14 -1.611 8.691 4.665 1.00 75.21 C ATOM 197 C GLN A 14 -1.592 10.112 5.265 1.00 5.33 C ATOM 198 O GLN A 14 -0.926 10.358 6.270 1.00 60.53 O ATOM 199 CB GLN A 14 -2.671 7.829 5.371 1.00 61.41 C ATOM 200 CG GLN A 14 -4.113 8.260 5.106 1.00 14.20 C ATOM 201 CD GLN A 14 -5.128 7.452 5.902 1.00 13.22 C ATOM 202 OE1 GLN A 14 -4.852 6.996 7.006 1.00 65.24 O ATOM 203 NE2 GLN A 14 -6.308 7.263 5.344 1.00 11.12 N ATOM 0 H GLN A 14 0.248 8.378 5.594 1.00 23.30 H new ATOM 0 HA GLN A 14 -1.866 8.764 3.608 1.00 75.21 H new ATOM 0 HB2 GLN A 14 -2.550 6.793 5.054 1.00 61.41 H new ATOM 0 HB3 GLN A 14 -2.488 7.857 6.445 1.00 61.41 H new ATOM 0 HG2 GLN A 14 -4.223 9.316 5.353 1.00 14.20 H new ATOM 0 HG3 GLN A 14 -4.328 8.157 4.042 1.00 14.20 H new ATOM 0 HE21 GLN A 14 -6.506 7.656 4.424 1.00 11.12 H new ATOM 0 HE22 GLN A 14 -7.023 6.724 5.833 1.00 11.12 H new ATOM 212 N ASN A 15 -2.321 11.037 4.633 1.00 74.44 N ATOM 213 CA ASN A 15 -2.364 12.451 5.059 1.00 44.43 C ATOM 214 C ASN A 15 -0.975 13.117 5.011 1.00 41.10 C ATOM 215 O ASN A 15 -0.754 14.151 5.640 1.00 40.54 O ATOM 216 CB ASN A 15 -2.960 12.585 6.470 1.00 33.42 C ATOM 217 CG ASN A 15 -4.369 12.030 6.559 1.00 12.53 C ATOM 218 OD1 ASN A 15 -5.341 12.715 6.261 1.00 12.32 O ATOM 219 ND2 ASN A 15 -4.493 10.792 6.987 1.00 61.24 N ATOM 0 H ASN A 15 -2.897 10.835 3.816 1.00 74.44 H new ATOM 0 HA ASN A 15 -3.008 12.970 4.349 1.00 44.43 H new ATOM 0 HB2 ASN A 15 -2.321 12.063 7.182 1.00 33.42 H new ATOM 0 HB3 ASN A 15 -2.968 13.636 6.760 1.00 33.42 H new ATOM 0 HD21 ASN A 15 -5.419 10.375 7.079 1.00 61.24 H new ATOM 0 HD22 ASN A 15 -3.663 10.250 7.226 1.00 61.24 H new ATOM 226 N GLY A 16 -0.051 12.533 4.250 1.00 42.23 N ATOM 227 CA GLY A 16 1.290 13.101 4.125 1.00 62.40 C ATOM 228 C GLY A 16 2.293 12.561 5.146 1.00 21.13 C ATOM 229 O GLY A 16 3.437 13.023 5.203 1.00 62.23 O ATOM 0 H GLY A 16 -0.203 11.677 3.717 1.00 42.23 H new ATOM 0 HA2 GLY A 16 1.666 12.901 3.121 1.00 62.40 H new ATOM 0 HA3 GLY A 16 1.226 14.184 4.232 1.00 62.40 H new ATOM 233 N LYS A 17 1.875 11.594 5.963 1.00 41.11 N ATOM 234 CA LYS A 17 2.773 10.974 6.953 1.00 61.22 C ATOM 235 C LYS A 17 2.797 9.440 6.825 1.00 40.33 C ATOM 236 O LYS A 17 1.802 8.823 6.446 1.00 35.43 O ATOM 237 CB LYS A 17 2.356 11.354 8.382 1.00 34.42 C ATOM 238 CG LYS A 17 0.926 10.946 8.744 1.00 72.50 C ATOM 239 CD LYS A 17 0.691 10.957 10.253 1.00 65.13 C ATOM 240 CE LYS A 17 1.530 9.895 10.957 1.00 63.04 C ATOM 241 NZ LYS A 17 1.298 9.884 12.426 1.00 40.01 N ATOM 0 H LYS A 17 0.926 11.220 5.964 1.00 41.11 H new ATOM 0 HA LYS A 17 3.774 11.354 6.750 1.00 61.22 H new ATOM 0 HB2 LYS A 17 3.045 10.888 9.086 1.00 34.42 H new ATOM 0 HB3 LYS A 17 2.457 12.432 8.504 1.00 34.42 H new ATOM 0 HG2 LYS A 17 0.223 11.626 8.263 1.00 72.50 H new ATOM 0 HG3 LYS A 17 0.724 9.949 8.353 1.00 72.50 H new ATOM 0 HD2 LYS A 17 0.937 11.941 10.653 1.00 65.13 H new ATOM 0 HD3 LYS A 17 -0.365 10.783 10.459 1.00 65.13 H new ATOM 0 HE2 LYS A 17 1.293 8.914 10.545 1.00 63.04 H new ATOM 0 HE3 LYS A 17 2.586 10.077 10.758 1.00 63.04 H new ATOM 0 HZ1 LYS A 17 1.887 9.148 12.865 1.00 40.01 H new ATOM 0 HZ2 LYS A 17 1.549 10.812 12.824 1.00 40.01 H new ATOM 0 HZ3 LYS A 17 0.295 9.685 12.618 1.00 40.01 H new ATOM 255 N VAL A 18 3.934 8.833 7.160 1.00 42.11 N ATOM 256 CA VAL A 18 4.067 7.371 7.140 1.00 20.43 C ATOM 257 C VAL A 18 3.215 6.726 8.247 1.00 60.52 C ATOM 258 O VAL A 18 3.248 7.161 9.401 1.00 53.04 O ATOM 259 CB VAL A 18 5.545 6.939 7.308 1.00 54.21 C ATOM 260 CG1 VAL A 18 5.680 5.416 7.267 1.00 41.22 C ATOM 261 CG2 VAL A 18 6.419 7.590 6.238 1.00 42.10 C ATOM 0 H VAL A 18 4.778 9.327 7.449 1.00 42.11 H new ATOM 0 HA VAL A 18 3.710 7.028 6.169 1.00 20.43 H new ATOM 0 HB VAL A 18 5.888 7.279 8.285 1.00 54.21 H new ATOM 0 HG11 VAL A 18 6.728 5.140 7.387 1.00 41.22 H new ATOM 0 HG12 VAL A 18 5.094 4.977 8.075 1.00 41.22 H new ATOM 0 HG13 VAL A 18 5.314 5.044 6.310 1.00 41.22 H new ATOM 0 HG21 VAL A 18 7.454 7.275 6.372 1.00 42.10 H new ATOM 0 HG22 VAL A 18 6.072 7.286 5.250 1.00 42.10 H new ATOM 0 HG23 VAL A 18 6.356 8.675 6.327 1.00 42.10 H new ATOM 271 N ILE A 19 2.446 5.696 7.894 1.00 14.12 N ATOM 272 CA ILE A 19 1.540 5.046 8.855 1.00 62.22 C ATOM 273 C ILE A 19 1.812 3.537 9.015 1.00 32.12 C ATOM 274 O ILE A 19 1.404 2.938 10.010 1.00 11.43 O ATOM 275 CB ILE A 19 0.053 5.242 8.452 1.00 54.35 C ATOM 276 CG1 ILE A 19 -0.234 4.578 7.095 1.00 54.41 C ATOM 277 CG2 ILE A 19 -0.306 6.730 8.414 1.00 55.13 C ATOM 278 CD1 ILE A 19 -1.697 4.600 6.696 1.00 32.35 C ATOM 0 H ILE A 19 2.428 5.292 6.957 1.00 14.12 H new ATOM 0 HA ILE A 19 1.736 5.532 9.811 1.00 62.22 H new ATOM 0 HB ILE A 19 -0.571 4.761 9.205 1.00 54.35 H new ATOM 0 HG12 ILE A 19 0.350 5.082 6.325 1.00 54.41 H new ATOM 0 HG13 ILE A 19 0.108 3.543 7.129 1.00 54.41 H new ATOM 0 HG21 ILE A 19 -1.352 6.845 8.130 1.00 55.13 H new ATOM 0 HG22 ILE A 19 -0.148 7.168 9.400 1.00 55.13 H new ATOM 0 HG23 ILE A 19 0.326 7.238 7.686 1.00 55.13 H new ATOM 0 HD11 ILE A 19 -1.818 4.113 5.728 1.00 32.35 H new ATOM 0 HD12 ILE A 19 -2.286 4.070 7.445 1.00 32.35 H new ATOM 0 HD13 ILE A 19 -2.040 5.632 6.628 1.00 32.35 H new ATOM 290 N ARG A 20 2.483 2.919 8.044 1.00 42.43 N ATOM 291 CA ARG A 20 2.713 1.465 8.076 1.00 42.02 C ATOM 292 C ARG A 20 3.885 1.052 7.163 1.00 2.52 C ATOM 293 O ARG A 20 4.013 1.554 6.051 1.00 53.23 O ATOM 294 CB ARG A 20 1.430 0.735 7.645 1.00 32.34 C ATOM 295 CG ARG A 20 1.523 -0.787 7.691 1.00 3.03 C ATOM 296 CD ARG A 20 1.596 -1.326 9.116 1.00 64.21 C ATOM 297 NE ARG A 20 1.757 -2.780 9.137 1.00 15.32 N ATOM 298 CZ ARG A 20 0.773 -3.632 8.996 1.00 54.41 C ATOM 299 NH1 ARG A 20 -0.454 -3.224 8.915 1.00 54.13 N ATOM 300 NH2 ARG A 20 1.022 -4.898 8.973 1.00 20.42 N ATOM 0 H ARG A 20 2.876 3.392 7.230 1.00 42.43 H new ATOM 0 HA ARG A 20 2.976 1.186 9.096 1.00 42.02 H new ATOM 0 HB2 ARG A 20 0.611 1.056 8.288 1.00 32.34 H new ATOM 0 HB3 ARG A 20 1.177 1.041 6.630 1.00 32.34 H new ATOM 0 HG2 ARG A 20 0.656 -1.216 7.188 1.00 3.03 H new ATOM 0 HG3 ARG A 20 2.405 -1.111 7.138 1.00 3.03 H new ATOM 0 HD2 ARG A 20 2.431 -0.860 9.639 1.00 64.21 H new ATOM 0 HD3 ARG A 20 0.689 -1.052 9.655 1.00 64.21 H new ATOM 0 HE ARG A 20 2.697 -3.154 9.270 1.00 15.32 H new ATOM 0 HH11 ARG A 20 -0.664 -2.227 8.961 1.00 54.13 H new ATOM 0 HH12 ARG A 20 -1.210 -3.900 8.805 1.00 54.13 H new ATOM 0 HH21 ARG A 20 1.982 -5.231 9.064 1.00 20.42 H new ATOM 0 HH22 ARG A 20 0.259 -5.566 8.863 1.00 20.42 H new ATOM 314 N GLU A 21 4.734 0.134 7.640 1.00 64.40 N ATOM 315 CA GLU A 21 5.890 -0.343 6.852 1.00 30.23 C ATOM 316 C GLU A 21 6.017 -1.881 6.914 1.00 71.52 C ATOM 317 O GLU A 21 6.093 -2.461 8.000 1.00 4.35 O ATOM 318 CB GLU A 21 7.187 0.306 7.368 1.00 3.01 C ATOM 319 CG GLU A 21 7.142 1.832 7.413 1.00 31.52 C ATOM 320 CD GLU A 21 8.441 2.455 7.909 1.00 3.42 C ATOM 321 OE1 GLU A 21 8.938 2.039 8.980 1.00 1.32 O ATOM 322 OE2 GLU A 21 8.962 3.377 7.244 1.00 0.34 O ATOM 0 H GLU A 21 4.648 -0.295 8.562 1.00 64.40 H new ATOM 0 HA GLU A 21 5.727 -0.055 5.813 1.00 30.23 H new ATOM 0 HB2 GLU A 21 7.397 -0.071 8.369 1.00 3.01 H new ATOM 0 HB3 GLU A 21 8.015 -0.004 6.731 1.00 3.01 H new ATOM 0 HG2 GLU A 21 6.921 2.212 6.416 1.00 31.52 H new ATOM 0 HG3 GLU A 21 6.325 2.146 8.062 1.00 31.52 H new ATOM 329 N ILE A 22 6.034 -2.539 5.748 1.00 64.14 N ATOM 330 CA ILE A 22 6.169 -4.010 5.679 1.00 64.04 C ATOM 331 C ILE A 22 7.400 -4.430 4.848 1.00 3.14 C ATOM 332 O ILE A 22 7.551 -4.006 3.701 1.00 65.23 O ATOM 333 CB ILE A 22 4.914 -4.695 5.056 1.00 71.40 C ATOM 334 CG1 ILE A 22 3.636 -4.395 5.865 1.00 54.52 C ATOM 335 CG2 ILE A 22 5.123 -6.208 4.941 1.00 74.53 C ATOM 336 CD1 ILE A 22 3.022 -3.041 5.581 1.00 73.54 C ATOM 0 H ILE A 22 5.957 -2.083 4.839 1.00 64.14 H new ATOM 0 HA ILE A 22 6.283 -4.339 6.712 1.00 64.04 H new ATOM 0 HB ILE A 22 4.782 -4.279 4.057 1.00 71.40 H new ATOM 0 HG12 ILE A 22 2.897 -5.168 5.654 1.00 54.52 H new ATOM 0 HG13 ILE A 22 3.869 -4.459 6.928 1.00 54.52 H new ATOM 0 HG21 ILE A 22 4.235 -6.666 4.504 1.00 74.53 H new ATOM 0 HG22 ILE A 22 5.985 -6.409 4.305 1.00 74.53 H new ATOM 0 HG23 ILE A 22 5.297 -6.628 5.932 1.00 74.53 H new ATOM 0 HD11 ILE A 22 2.128 -2.912 6.191 1.00 73.54 H new ATOM 0 HD12 ILE A 22 3.741 -2.258 5.820 1.00 73.54 H new ATOM 0 HD13 ILE A 22 2.754 -2.977 4.527 1.00 73.54 H new ATOM 348 N PRO A 23 8.295 -5.271 5.404 1.00 14.10 N ATOM 349 CA PRO A 23 9.420 -5.853 4.646 1.00 62.13 C ATOM 350 C PRO A 23 8.946 -6.873 3.591 1.00 43.41 C ATOM 351 O PRO A 23 8.355 -7.900 3.929 1.00 1.15 O ATOM 352 CB PRO A 23 10.278 -6.544 5.729 1.00 44.20 C ATOM 353 CG PRO A 23 9.757 -6.036 7.035 1.00 0.41 C ATOM 354 CD PRO A 23 8.306 -5.714 6.806 1.00 32.20 C ATOM 0 HA PRO A 23 9.965 -5.095 4.083 1.00 62.13 H new ATOM 0 HB2 PRO A 23 10.190 -7.629 5.666 1.00 44.20 H new ATOM 0 HB3 PRO A 23 11.334 -6.302 5.607 1.00 44.20 H new ATOM 0 HG2 PRO A 23 9.871 -6.785 7.819 1.00 0.41 H new ATOM 0 HG3 PRO A 23 10.307 -5.152 7.357 1.00 0.41 H new ATOM 0 HD2 PRO A 23 7.668 -6.584 6.962 1.00 32.20 H new ATOM 0 HD3 PRO A 23 7.952 -4.934 7.481 1.00 32.20 H new ATOM 362 N LEU A 24 9.210 -6.584 2.313 1.00 70.14 N ATOM 363 CA LEU A 24 8.735 -7.432 1.208 1.00 23.05 C ATOM 364 C LEU A 24 9.689 -8.606 0.938 1.00 73.32 C ATOM 365 O LEU A 24 9.305 -9.768 1.048 1.00 24.25 O ATOM 366 CB LEU A 24 8.568 -6.598 -0.073 1.00 52.42 C ATOM 367 CG LEU A 24 7.563 -5.439 0.020 1.00 12.44 C ATOM 368 CD1 LEU A 24 7.509 -4.665 -1.296 1.00 53.52 C ATOM 369 CD2 LEU A 24 6.175 -5.949 0.406 1.00 20.04 C ATOM 0 H LEU A 24 9.749 -5.771 2.015 1.00 70.14 H new ATOM 0 HA LEU A 24 7.770 -7.842 1.506 1.00 23.05 H new ATOM 0 HB2 LEU A 24 9.540 -6.192 -0.351 1.00 52.42 H new ATOM 0 HB3 LEU A 24 8.258 -7.262 -0.880 1.00 52.42 H new ATOM 0 HG LEU A 24 7.902 -4.760 0.802 1.00 12.44 H new ATOM 0 HD11 LEU A 24 6.792 -3.849 -1.209 1.00 53.52 H new ATOM 0 HD12 LEU A 24 8.495 -4.259 -1.520 1.00 53.52 H new ATOM 0 HD13 LEU A 24 7.201 -5.334 -2.099 1.00 53.52 H new ATOM 0 HD21 LEU A 24 5.482 -5.109 0.465 1.00 20.04 H new ATOM 0 HD22 LEU A 24 5.825 -6.656 -0.346 1.00 20.04 H new ATOM 0 HD23 LEU A 24 6.226 -6.446 1.375 1.00 20.04 H new ATOM 381 N THR A 25 10.930 -8.294 0.582 1.00 35.32 N ATOM 382 CA THR A 25 11.930 -9.320 0.247 1.00 74.51 C ATOM 383 C THR A 25 12.209 -10.260 1.431 1.00 12.33 C ATOM 384 O THR A 25 12.817 -9.862 2.427 1.00 14.13 O ATOM 385 CB THR A 25 13.256 -8.669 -0.201 1.00 4.44 C ATOM 386 OG1 THR A 25 13.017 -7.783 -1.304 1.00 11.35 O ATOM 387 CG2 THR A 25 14.289 -9.715 -0.609 1.00 24.35 C ATOM 0 H THR A 25 11.276 -7.337 0.516 1.00 35.32 H new ATOM 0 HA THR A 25 11.513 -9.907 -0.571 1.00 74.51 H new ATOM 0 HB THR A 25 13.653 -8.112 0.648 1.00 4.44 H new ATOM 0 HG1 THR A 25 13.873 -7.496 -1.684 1.00 11.35 H new ATOM 0 HG21 THR A 25 15.208 -9.217 -0.918 1.00 24.35 H new ATOM 0 HG22 THR A 25 14.497 -10.370 0.237 1.00 24.35 H new ATOM 0 HG23 THR A 25 13.900 -10.306 -1.438 1.00 24.35 H new ATOM 395 N GLY A 26 11.780 -11.516 1.306 1.00 73.23 N ATOM 396 CA GLY A 26 11.924 -12.480 2.399 1.00 11.00 C ATOM 397 C GLY A 26 10.597 -12.822 3.071 1.00 45.42 C ATOM 398 O GLY A 26 10.494 -13.815 3.795 1.00 22.53 O ATOM 0 H GLY A 26 11.334 -11.888 0.468 1.00 73.23 H new ATOM 0 HA2 GLY A 26 12.376 -13.394 2.013 1.00 11.00 H new ATOM 0 HA3 GLY A 26 12.609 -12.076 3.144 1.00 11.00 H new ATOM 402 N HIS A 27 9.580 -12.000 2.823 1.00 45.12 N ATOM 403 CA HIS A 27 8.244 -12.198 3.396 1.00 1.44 C ATOM 404 C HIS A 27 7.535 -13.418 2.773 1.00 42.00 C ATOM 405 O HIS A 27 7.453 -13.545 1.550 1.00 42.41 O ATOM 406 CB HIS A 27 7.408 -10.929 3.174 1.00 20.41 C ATOM 407 CG HIS A 27 6.011 -11.005 3.708 1.00 13.43 C ATOM 408 ND1 HIS A 27 4.931 -11.360 2.930 1.00 42.22 N ATOM 409 CD2 HIS A 27 5.513 -10.752 4.941 1.00 54.14 C ATOM 410 CE1 HIS A 27 3.833 -11.324 3.659 1.00 25.05 C ATOM 411 NE2 HIS A 27 4.155 -10.956 4.882 1.00 24.21 N ATOM 0 H HIS A 27 9.655 -11.180 2.222 1.00 45.12 H new ATOM 0 HA HIS A 27 8.350 -12.392 4.463 1.00 1.44 H new ATOM 0 HB2 HIS A 27 7.917 -10.087 3.643 1.00 20.41 H new ATOM 0 HB3 HIS A 27 7.364 -10.720 2.105 1.00 20.41 H new ATOM 0 HD1 HIS A 27 4.974 -11.612 1.943 1.00 42.22 H new ATOM 0 HD2 HIS A 27 6.078 -10.447 5.810 1.00 54.14 H new ATOM 0 HE1 HIS A 27 2.837 -11.557 3.312 1.00 25.05 H new ATOM 420 N LYS A 28 7.030 -14.312 3.621 1.00 13.25 N ATOM 421 CA LYS A 28 6.308 -15.504 3.154 1.00 11.43 C ATOM 422 C LYS A 28 4.786 -15.367 3.341 1.00 23.14 C ATOM 423 O LYS A 28 4.314 -14.604 4.191 1.00 73.32 O ATOM 424 CB LYS A 28 6.813 -16.748 3.898 1.00 72.24 C ATOM 425 CG LYS A 28 6.651 -16.667 5.413 1.00 53.12 C ATOM 426 CD LYS A 28 7.171 -17.924 6.104 1.00 11.53 C ATOM 427 CE LYS A 28 7.173 -17.781 7.620 1.00 31.43 C ATOM 428 NZ LYS A 28 7.679 -19.006 8.289 1.00 50.02 N ATOM 0 H LYS A 28 7.105 -14.238 4.636 1.00 13.25 H new ATOM 0 HA LYS A 28 6.503 -15.607 2.087 1.00 11.43 H new ATOM 0 HB2 LYS A 28 6.276 -17.623 3.531 1.00 72.24 H new ATOM 0 HB3 LYS A 28 7.866 -16.898 3.662 1.00 72.24 H new ATOM 0 HG2 LYS A 28 7.187 -15.796 5.790 1.00 53.12 H new ATOM 0 HG3 LYS A 28 5.599 -16.525 5.659 1.00 53.12 H new ATOM 0 HD2 LYS A 28 6.553 -18.776 5.821 1.00 11.53 H new ATOM 0 HD3 LYS A 28 8.183 -18.136 5.758 1.00 11.53 H new ATOM 0 HE2 LYS A 28 7.792 -16.930 7.904 1.00 31.43 H new ATOM 0 HE3 LYS A 28 6.161 -17.569 7.966 1.00 31.43 H new ATOM 0 HZ1 LYS A 28 7.665 -18.870 9.320 1.00 50.02 H new ATOM 0 HZ2 LYS A 28 7.074 -19.814 8.038 1.00 50.02 H new ATOM 0 HZ3 LYS A 28 8.653 -19.194 7.978 1.00 50.02 H new ATOM 442 N GLY A 29 4.028 -16.113 2.538 1.00 63.52 N ATOM 443 CA GLY A 29 2.573 -16.134 2.660 1.00 61.23 C ATOM 444 C GLY A 29 1.885 -14.871 2.150 1.00 61.12 C ATOM 445 O GLY A 29 2.494 -14.049 1.460 1.00 41.14 O ATOM 0 H GLY A 29 4.398 -16.709 1.798 1.00 63.52 H new ATOM 0 HA2 GLY A 29 2.186 -16.992 2.111 1.00 61.23 H new ATOM 0 HA3 GLY A 29 2.309 -16.280 3.707 1.00 61.23 H new ATOM 449 N ASN A 30 0.611 -14.712 2.502 1.00 25.51 N ATOM 450 CA ASN A 30 -0.181 -13.556 2.070 1.00 54.33 C ATOM 451 C ASN A 30 -0.656 -12.739 3.284 1.00 51.53 C ATOM 452 O ASN A 30 -1.082 -13.297 4.298 1.00 4.13 O ATOM 453 CB ASN A 30 -1.384 -14.021 1.239 1.00 73.40 C ATOM 454 CG ASN A 30 -2.117 -12.867 0.582 1.00 23.41 C ATOM 455 OD1 ASN A 30 -3.011 -12.269 1.170 1.00 23.21 O ATOM 456 ND2 ASN A 30 -1.752 -12.549 -0.646 1.00 41.31 N ATOM 0 H ASN A 30 0.100 -15.372 3.089 1.00 25.51 H new ATOM 0 HA ASN A 30 0.449 -12.917 1.452 1.00 54.33 H new ATOM 0 HB2 ASN A 30 -1.044 -14.716 0.471 1.00 73.40 H new ATOM 0 HB3 ASN A 30 -2.075 -14.568 1.880 1.00 73.40 H new ATOM 0 HD21 ASN A 30 -2.218 -11.785 -1.135 1.00 41.31 H new ATOM 0 HD22 ASN A 30 -1.004 -13.068 -1.106 1.00 41.31 H new ATOM 463 N GLU A 31 -0.583 -11.416 3.177 1.00 21.43 N ATOM 464 CA GLU A 31 -0.906 -10.529 4.300 1.00 55.53 C ATOM 465 C GLU A 31 -1.611 -9.246 3.820 1.00 31.04 C ATOM 466 O GLU A 31 -1.027 -8.439 3.100 1.00 1.32 O ATOM 467 CB GLU A 31 0.388 -10.191 5.053 1.00 21.31 C ATOM 468 CG GLU A 31 0.194 -9.333 6.298 1.00 72.44 C ATOM 469 CD GLU A 31 1.487 -9.118 7.075 1.00 20.44 C ATOM 470 OE1 GLU A 31 2.575 -9.163 6.466 1.00 31.33 O ATOM 471 OE2 GLU A 31 1.414 -8.884 8.299 1.00 62.51 O ATOM 0 H GLU A 31 -0.303 -10.930 2.325 1.00 21.43 H new ATOM 0 HA GLU A 31 -1.597 -11.041 4.969 1.00 55.53 H new ATOM 0 HB2 GLU A 31 0.878 -11.121 5.342 1.00 21.31 H new ATOM 0 HB3 GLU A 31 1.064 -9.673 4.373 1.00 21.31 H new ATOM 0 HG2 GLU A 31 -0.214 -8.365 6.007 1.00 72.44 H new ATOM 0 HG3 GLU A 31 -0.541 -9.806 6.949 1.00 72.44 H new ATOM 478 N GLN A 32 -2.868 -9.065 4.226 1.00 25.51 N ATOM 479 CA GLN A 32 -3.688 -7.938 3.751 1.00 62.54 C ATOM 480 C GLN A 32 -3.979 -6.926 4.872 1.00 53.42 C ATOM 481 O GLN A 32 -4.187 -7.304 6.027 1.00 64.24 O ATOM 482 CB GLN A 32 -5.016 -8.471 3.196 1.00 33.12 C ATOM 483 CG GLN A 32 -4.853 -9.616 2.202 1.00 63.53 C ATOM 484 CD GLN A 32 -6.177 -10.250 1.808 1.00 43.22 C ATOM 485 OE1 GLN A 32 -7.141 -10.229 2.565 1.00 31.44 O ATOM 486 NE2 GLN A 32 -6.229 -10.848 0.638 1.00 53.25 N ATOM 0 H GLN A 32 -3.345 -9.682 4.883 1.00 25.51 H new ATOM 0 HA GLN A 32 -3.126 -7.424 2.971 1.00 62.54 H new ATOM 0 HB2 GLN A 32 -5.636 -8.809 4.026 1.00 33.12 H new ATOM 0 HB3 GLN A 32 -5.550 -7.654 2.711 1.00 33.12 H new ATOM 0 HG2 GLN A 32 -4.353 -9.245 1.307 1.00 63.53 H new ATOM 0 HG3 GLN A 32 -4.206 -10.378 2.636 1.00 63.53 H new ATOM 0 HE21 GLN A 32 -5.411 -10.849 0.029 1.00 53.25 H new ATOM 0 HE22 GLN A 32 -7.088 -11.311 0.339 1.00 53.25 H new ATOM 495 N PHE A 33 -4.005 -5.640 4.523 1.00 41.40 N ATOM 496 CA PHE A 33 -4.355 -4.578 5.478 1.00 2.53 C ATOM 497 C PHE A 33 -5.095 -3.422 4.779 1.00 14.32 C ATOM 498 O PHE A 33 -4.733 -3.013 3.673 1.00 44.03 O ATOM 499 CB PHE A 33 -3.100 -4.066 6.213 1.00 4.32 C ATOM 500 CG PHE A 33 -1.998 -3.562 5.310 1.00 1.11 C ATOM 501 CD1 PHE A 33 -1.168 -4.449 4.636 1.00 30.14 C ATOM 502 CD2 PHE A 33 -1.785 -2.201 5.141 1.00 32.03 C ATOM 503 CE1 PHE A 33 -0.157 -3.991 3.815 1.00 53.23 C ATOM 504 CE2 PHE A 33 -0.775 -1.738 4.320 1.00 44.10 C ATOM 505 CZ PHE A 33 0.042 -2.634 3.655 1.00 45.21 C ATOM 0 H PHE A 33 -3.788 -5.304 3.585 1.00 41.40 H new ATOM 0 HA PHE A 33 -5.031 -5.004 6.219 1.00 2.53 H new ATOM 0 HB2 PHE A 33 -3.394 -3.262 6.888 1.00 4.32 H new ATOM 0 HB3 PHE A 33 -2.704 -4.872 6.831 1.00 4.32 H new ATOM 0 HD1 PHE A 33 -1.316 -5.512 4.756 1.00 30.14 H new ATOM 0 HD2 PHE A 33 -2.417 -1.494 5.658 1.00 32.03 H new ATOM 0 HE1 PHE A 33 0.479 -4.694 3.298 1.00 53.23 H new ATOM 0 HE2 PHE A 33 -0.623 -0.676 4.197 1.00 44.10 H new ATOM 0 HZ PHE A 33 0.832 -2.274 3.013 1.00 45.21 H new ATOM 515 N THR A 34 -6.140 -2.909 5.428 1.00 1.44 N ATOM 516 CA THR A 34 -7.000 -1.876 4.835 1.00 50.41 C ATOM 517 C THR A 34 -6.736 -0.489 5.438 1.00 41.11 C ATOM 518 O THR A 34 -6.890 -0.281 6.641 1.00 61.24 O ATOM 519 CB THR A 34 -8.502 -2.216 5.026 1.00 53.23 C ATOM 520 OG1 THR A 34 -8.798 -3.509 4.473 1.00 22.05 O ATOM 521 CG2 THR A 34 -9.395 -1.167 4.366 1.00 34.04 C ATOM 0 H THR A 34 -6.415 -3.191 6.369 1.00 1.44 H new ATOM 0 HA THR A 34 -6.757 -1.854 3.773 1.00 50.41 H new ATOM 0 HB THR A 34 -8.704 -2.223 6.097 1.00 53.23 H new ATOM 0 HG1 THR A 34 -9.748 -3.710 4.602 1.00 22.05 H new ATOM 0 HG21 THR A 34 -10.441 -1.433 4.517 1.00 34.04 H new ATOM 0 HG22 THR A 34 -9.201 -0.191 4.811 1.00 34.04 H new ATOM 0 HG23 THR A 34 -9.181 -1.127 3.298 1.00 34.04 H new ATOM 529 N ILE A 35 -6.337 0.460 4.594 1.00 64.21 N ATOM 530 CA ILE A 35 -6.165 1.855 5.016 1.00 41.02 C ATOM 531 C ILE A 35 -7.458 2.644 4.769 1.00 10.05 C ATOM 532 O ILE A 35 -7.802 2.955 3.628 1.00 65.34 O ATOM 533 CB ILE A 35 -4.996 2.561 4.271 1.00 41.33 C ATOM 534 CG1 ILE A 35 -3.653 1.850 4.530 1.00 41.42 C ATOM 535 CG2 ILE A 35 -4.903 4.033 4.682 1.00 75.54 C ATOM 536 CD1 ILE A 35 -3.498 0.523 3.818 1.00 71.05 C ATOM 0 H ILE A 35 -6.125 0.291 3.611 1.00 64.21 H new ATOM 0 HA ILE A 35 -5.926 1.835 6.079 1.00 41.02 H new ATOM 0 HB ILE A 35 -5.207 2.507 3.203 1.00 41.33 H new ATOM 0 HG12 ILE A 35 -2.842 2.510 4.223 1.00 41.42 H new ATOM 0 HG13 ILE A 35 -3.543 1.688 5.602 1.00 41.42 H new ATOM 0 HG21 ILE A 35 -4.079 4.508 4.149 1.00 75.54 H new ATOM 0 HG22 ILE A 35 -5.836 4.540 4.434 1.00 75.54 H new ATOM 0 HG23 ILE A 35 -4.728 4.101 5.756 1.00 75.54 H new ATOM 0 HD11 ILE A 35 -2.525 0.094 4.057 1.00 71.05 H new ATOM 0 HD12 ILE A 35 -4.285 -0.158 4.142 1.00 71.05 H new ATOM 0 HD13 ILE A 35 -3.573 0.677 2.741 1.00 71.05 H new ATOM 548 N LYS A 36 -8.180 2.951 5.837 1.00 62.31 N ATOM 549 CA LYS A 36 -9.450 3.672 5.723 1.00 65.52 C ATOM 550 C LYS A 36 -9.232 5.191 5.715 1.00 31.03 C ATOM 551 O LYS A 36 -8.557 5.741 6.586 1.00 42.25 O ATOM 552 CB LYS A 36 -10.385 3.269 6.872 1.00 63.34 C ATOM 553 CG LYS A 36 -10.731 1.781 6.877 1.00 1.24 C ATOM 554 CD LYS A 36 -11.562 1.373 8.096 1.00 41.31 C ATOM 555 CE LYS A 36 -10.734 1.311 9.381 1.00 20.32 C ATOM 556 NZ LYS A 36 -10.157 2.629 9.758 1.00 14.45 N ATOM 0 H LYS A 36 -7.913 2.715 6.793 1.00 62.31 H new ATOM 0 HA LYS A 36 -9.912 3.400 4.774 1.00 65.52 H new ATOM 0 HB2 LYS A 36 -9.916 3.529 7.821 1.00 63.34 H new ATOM 0 HB3 LYS A 36 -11.305 3.849 6.802 1.00 63.34 H new ATOM 0 HG2 LYS A 36 -11.282 1.537 5.969 1.00 1.24 H new ATOM 0 HG3 LYS A 36 -9.810 1.198 6.858 1.00 1.24 H new ATOM 0 HD2 LYS A 36 -12.378 2.083 8.228 1.00 41.31 H new ATOM 0 HD3 LYS A 36 -12.014 0.398 7.913 1.00 41.31 H new ATOM 0 HE2 LYS A 36 -11.361 0.948 10.195 1.00 20.32 H new ATOM 0 HE3 LYS A 36 -9.927 0.589 9.254 1.00 20.32 H new ATOM 0 HZ1 LYS A 36 -10.111 2.704 10.794 1.00 14.45 H new ATOM 0 HZ2 LYS A 36 -9.199 2.715 9.361 1.00 14.45 H new ATOM 0 HZ3 LYS A 36 -10.757 3.391 9.382 1.00 14.45 H new ATOM 570 N GLY A 37 -9.800 5.861 4.714 1.00 42.14 N ATOM 571 CA GLY A 37 -9.656 7.306 4.594 1.00 54.10 C ATOM 572 C GLY A 37 -10.810 8.079 5.225 1.00 43.12 C ATOM 573 O GLY A 37 -11.740 7.485 5.780 1.00 64.33 O ATOM 0 H GLY A 37 -10.360 5.428 3.980 1.00 42.14 H new ATOM 0 HA2 GLY A 37 -8.722 7.612 5.065 1.00 54.10 H new ATOM 0 HA3 GLY A 37 -9.583 7.571 3.539 1.00 54.10 H new ATOM 577 N LYS A 38 -10.754 9.404 5.125 1.00 4.03 N ATOM 578 CA LYS A 38 -11.781 10.277 5.708 1.00 72.03 C ATOM 579 C LYS A 38 -13.141 10.089 5.005 1.00 22.52 C ATOM 580 O LYS A 38 -13.413 10.696 3.969 1.00 61.22 O ATOM 581 CB LYS A 38 -11.318 11.744 5.625 1.00 62.03 C ATOM 582 CG LYS A 38 -12.188 12.737 6.395 1.00 10.50 C ATOM 583 CD LYS A 38 -12.254 12.400 7.883 1.00 75.44 C ATOM 584 CE LYS A 38 -12.834 13.549 8.703 1.00 31.43 C ATOM 585 NZ LYS A 38 -14.195 13.942 8.246 1.00 2.32 N ATOM 0 H LYS A 38 -10.006 9.903 4.644 1.00 4.03 H new ATOM 0 HA LYS A 38 -11.917 10.005 6.755 1.00 72.03 H new ATOM 0 HB2 LYS A 38 -10.297 11.810 6.001 1.00 62.03 H new ATOM 0 HB3 LYS A 38 -11.291 12.043 4.577 1.00 62.03 H new ATOM 0 HG2 LYS A 38 -11.790 13.744 6.268 1.00 10.50 H new ATOM 0 HG3 LYS A 38 -13.195 12.738 5.978 1.00 10.50 H new ATOM 0 HD2 LYS A 38 -12.864 11.508 8.026 1.00 75.44 H new ATOM 0 HD3 LYS A 38 -11.254 12.164 8.246 1.00 75.44 H new ATOM 0 HE2 LYS A 38 -12.876 13.258 9.752 1.00 31.43 H new ATOM 0 HE3 LYS A 38 -12.169 14.410 8.638 1.00 31.43 H new ATOM 0 HZ1 LYS A 38 -14.573 14.679 8.875 1.00 2.32 H new ATOM 0 HZ2 LYS A 38 -14.142 14.310 7.275 1.00 2.32 H new ATOM 0 HZ3 LYS A 38 -14.822 13.112 8.268 1.00 2.32 H new ATOM 599 N GLY A 39 -13.976 9.215 5.568 1.00 64.05 N ATOM 600 CA GLY A 39 -15.278 8.912 4.978 1.00 22.21 C ATOM 601 C GLY A 39 -15.369 7.472 4.483 1.00 5.44 C ATOM 602 O GLY A 39 -15.189 6.531 5.255 1.00 73.33 O ATOM 0 H GLY A 39 -13.774 8.707 6.429 1.00 64.05 H new ATOM 0 HA2 GLY A 39 -16.059 9.090 5.717 1.00 22.21 H new ATOM 0 HA3 GLY A 39 -15.465 9.592 4.147 1.00 22.21 H new ATOM 606 N ALA A 40 -15.642 7.299 3.191 1.00 64.21 N ATOM 607 CA ALA A 40 -15.696 5.966 2.576 1.00 1.24 C ATOM 608 C ALA A 40 -14.467 5.713 1.681 1.00 34.55 C ATOM 609 O ALA A 40 -14.419 4.742 0.924 1.00 13.40 O ATOM 610 CB ALA A 40 -16.983 5.819 1.769 1.00 61.24 C ATOM 0 H ALA A 40 -15.830 8.065 2.545 1.00 64.21 H new ATOM 0 HA ALA A 40 -15.685 5.221 3.372 1.00 1.24 H new ATOM 0 HB1 ALA A 40 -17.017 4.828 1.316 1.00 61.24 H new ATOM 0 HB2 ALA A 40 -17.842 5.946 2.428 1.00 61.24 H new ATOM 0 HB3 ALA A 40 -17.010 6.577 0.987 1.00 61.24 H new ATOM 616 N GLN A 41 -13.469 6.583 1.797 1.00 1.20 N ATOM 617 CA GLN A 41 -12.281 6.552 0.933 1.00 12.15 C ATOM 618 C GLN A 41 -11.221 5.551 1.438 1.00 70.23 C ATOM 619 O GLN A 41 -10.132 5.947 1.849 1.00 24.33 O ATOM 620 CB GLN A 41 -11.682 7.969 0.849 1.00 73.50 C ATOM 621 CG GLN A 41 -12.653 9.026 0.320 1.00 2.51 C ATOM 622 CD GLN A 41 -12.897 8.933 -1.182 1.00 62.52 C ATOM 623 OE1 GLN A 41 -12.788 7.872 -1.784 1.00 75.50 O ATOM 624 NE2 GLN A 41 -13.241 10.046 -1.796 1.00 12.23 N ATOM 0 H GLN A 41 -13.455 7.331 2.490 1.00 1.20 H new ATOM 0 HA GLN A 41 -12.588 6.216 -0.057 1.00 12.15 H new ATOM 0 HB2 GLN A 41 -11.341 8.267 1.840 1.00 73.50 H new ATOM 0 HB3 GLN A 41 -10.803 7.943 0.205 1.00 73.50 H new ATOM 0 HG2 GLN A 41 -13.605 8.926 0.841 1.00 2.51 H new ATOM 0 HG3 GLN A 41 -12.263 10.016 0.556 1.00 2.51 H new ATOM 0 HE21 GLN A 41 -13.324 10.915 -1.268 1.00 12.23 H new ATOM 0 HE22 GLN A 41 -13.425 10.039 -2.799 1.00 12.23 H new ATOM 633 N TYR A 42 -11.535 4.253 1.392 1.00 50.12 N ATOM 634 CA TYR A 42 -10.616 3.217 1.902 1.00 1.51 C ATOM 635 C TYR A 42 -9.778 2.563 0.781 1.00 2.02 C ATOM 636 O TYR A 42 -10.156 2.596 -0.394 1.00 62.41 O ATOM 637 CB TYR A 42 -11.401 2.128 2.657 1.00 1.31 C ATOM 638 CG TYR A 42 -12.201 1.195 1.761 1.00 52.43 C ATOM 639 CD1 TYR A 42 -13.422 1.586 1.222 1.00 31.44 C ATOM 640 CD2 TYR A 42 -11.732 -0.082 1.458 1.00 41.43 C ATOM 641 CE1 TYR A 42 -14.149 0.735 0.409 1.00 13.31 C ATOM 642 CE2 TYR A 42 -12.453 -0.935 0.646 1.00 73.41 C ATOM 643 CZ TYR A 42 -13.660 -0.524 0.124 1.00 50.33 C ATOM 644 OH TYR A 42 -14.384 -1.375 -0.684 1.00 14.33 O ATOM 0 H TYR A 42 -12.409 3.891 1.011 1.00 50.12 H new ATOM 0 HA TYR A 42 -9.926 3.718 2.581 1.00 1.51 H new ATOM 0 HB2 TYR A 42 -10.701 1.535 3.246 1.00 1.31 H new ATOM 0 HB3 TYR A 42 -12.081 2.609 3.360 1.00 1.31 H new ATOM 0 HD1 TYR A 42 -13.809 2.570 1.442 1.00 31.44 H new ATOM 0 HD2 TYR A 42 -10.787 -0.410 1.866 1.00 41.43 H new ATOM 0 HE1 TYR A 42 -15.096 1.054 -0.001 1.00 13.31 H new ATOM 0 HE2 TYR A 42 -12.072 -1.920 0.421 1.00 73.41 H new ATOM 0 HH TYR A 42 -13.899 -2.221 -0.786 1.00 14.33 H new ATOM 654 N ASN A 43 -8.639 1.974 1.165 1.00 43.23 N ATOM 655 CA ASN A 43 -7.769 1.208 0.249 1.00 64.52 C ATOM 656 C ASN A 43 -7.396 -0.153 0.868 1.00 24.11 C ATOM 657 O ASN A 43 -7.011 -0.225 2.033 1.00 2.11 O ATOM 658 CB ASN A 43 -6.478 1.984 -0.060 1.00 14.31 C ATOM 659 CG ASN A 43 -6.709 3.206 -0.929 1.00 11.12 C ATOM 660 OD1 ASN A 43 -6.977 4.293 -0.437 1.00 12.34 O ATOM 661 ND2 ASN A 43 -6.600 3.037 -2.231 1.00 24.24 N ATOM 0 H ASN A 43 -8.289 2.012 2.122 1.00 43.23 H new ATOM 0 HA ASN A 43 -8.324 1.050 -0.676 1.00 64.52 H new ATOM 0 HB2 ASN A 43 -6.015 2.295 0.877 1.00 14.31 H new ATOM 0 HB3 ASN A 43 -5.773 1.319 -0.559 1.00 14.31 H new ATOM 0 HD21 ASN A 43 -6.740 3.827 -2.861 1.00 24.24 H new ATOM 0 HD22 ASN A 43 -6.375 2.117 -2.609 1.00 24.24 H new ATOM 668 N LEU A 44 -7.505 -1.225 0.090 1.00 31.13 N ATOM 669 CA LEU A 44 -7.131 -2.568 0.560 1.00 42.41 C ATOM 670 C LEU A 44 -5.797 -3.024 -0.057 1.00 42.51 C ATOM 671 O LEU A 44 -5.730 -3.354 -1.246 1.00 44.23 O ATOM 672 CB LEU A 44 -8.235 -3.582 0.222 1.00 54.13 C ATOM 673 CG LEU A 44 -7.919 -5.046 0.576 1.00 34.22 C ATOM 674 CD1 LEU A 44 -7.667 -5.212 2.075 1.00 74.03 C ATOM 675 CD2 LEU A 44 -9.045 -5.966 0.111 1.00 22.51 C ATOM 0 H LEU A 44 -7.849 -1.197 -0.870 1.00 31.13 H new ATOM 0 HA LEU A 44 -7.009 -2.518 1.642 1.00 42.41 H new ATOM 0 HB2 LEU A 44 -9.146 -3.289 0.744 1.00 54.13 H new ATOM 0 HB3 LEU A 44 -8.445 -3.522 -0.846 1.00 54.13 H new ATOM 0 HG LEU A 44 -7.005 -5.328 0.053 1.00 34.22 H new ATOM 0 HD11 LEU A 44 -7.447 -6.257 2.293 1.00 74.03 H new ATOM 0 HD12 LEU A 44 -6.821 -4.593 2.372 1.00 74.03 H new ATOM 0 HD13 LEU A 44 -8.554 -4.905 2.629 1.00 74.03 H new ATOM 0 HD21 LEU A 44 -8.803 -6.997 0.370 1.00 22.51 H new ATOM 0 HD22 LEU A 44 -9.976 -5.678 0.600 1.00 22.51 H new ATOM 0 HD23 LEU A 44 -9.161 -5.881 -0.969 1.00 22.51 H new ATOM 687 N MET A 45 -4.743 -3.045 0.757 1.00 72.50 N ATOM 688 CA MET A 45 -3.408 -3.443 0.296 1.00 5.31 C ATOM 689 C MET A 45 -3.150 -4.934 0.567 1.00 25.43 C ATOM 690 O MET A 45 -3.232 -5.393 1.706 1.00 65.13 O ATOM 691 CB MET A 45 -2.328 -2.602 0.992 1.00 73.02 C ATOM 692 CG MET A 45 -2.512 -1.098 0.842 1.00 2.33 C ATOM 693 SD MET A 45 -2.444 -0.535 -0.871 1.00 3.42 S ATOM 694 CE MET A 45 -0.773 -0.994 -1.331 1.00 3.44 C ATOM 0 H MET A 45 -4.785 -2.790 1.744 1.00 72.50 H new ATOM 0 HA MET A 45 -3.364 -3.271 -0.779 1.00 5.31 H new ATOM 0 HB2 MET A 45 -2.318 -2.851 2.053 1.00 73.02 H new ATOM 0 HB3 MET A 45 -1.353 -2.879 0.590 1.00 73.02 H new ATOM 0 HG2 MET A 45 -3.472 -0.812 1.273 1.00 2.33 H new ATOM 0 HG3 MET A 45 -1.740 -0.586 1.416 1.00 2.33 H new ATOM 0 HE1 MET A 45 -0.411 -0.320 -2.108 1.00 3.44 H new ATOM 0 HE2 MET A 45 -0.123 -0.924 -0.459 1.00 3.44 H new ATOM 0 HE3 MET A 45 -0.767 -2.017 -1.706 1.00 3.44 H new ATOM 704 N GLU A 46 -2.845 -5.686 -0.488 1.00 50.35 N ATOM 705 CA GLU A 46 -2.526 -7.113 -0.362 1.00 12.11 C ATOM 706 C GLU A 46 -1.031 -7.375 -0.594 1.00 3.42 C ATOM 707 O GLU A 46 -0.504 -7.107 -1.675 1.00 3.50 O ATOM 708 CB GLU A 46 -3.358 -7.944 -1.354 1.00 33.55 C ATOM 709 CG GLU A 46 -2.975 -9.423 -1.379 1.00 13.14 C ATOM 710 CD GLU A 46 -3.844 -10.254 -2.309 1.00 72.11 C ATOM 711 OE1 GLU A 46 -3.643 -10.189 -3.540 1.00 63.23 O ATOM 712 OE2 GLU A 46 -4.734 -10.972 -1.812 1.00 50.53 O ATOM 0 H GLU A 46 -2.811 -5.333 -1.444 1.00 50.35 H new ATOM 0 HA GLU A 46 -2.775 -7.415 0.655 1.00 12.11 H new ATOM 0 HB2 GLU A 46 -4.413 -7.854 -1.096 1.00 33.55 H new ATOM 0 HB3 GLU A 46 -3.238 -7.528 -2.355 1.00 33.55 H new ATOM 0 HG2 GLU A 46 -1.933 -9.516 -1.687 1.00 13.14 H new ATOM 0 HG3 GLU A 46 -3.046 -9.827 -0.369 1.00 13.14 H new ATOM 719 N VAL A 47 -0.354 -7.885 0.432 1.00 25.33 N ATOM 720 CA VAL A 47 1.044 -8.301 0.312 1.00 42.04 C ATOM 721 C VAL A 47 1.133 -9.811 0.044 1.00 13.20 C ATOM 722 O VAL A 47 0.862 -10.626 0.926 1.00 72.35 O ATOM 723 CB VAL A 47 1.853 -7.963 1.592 1.00 34.40 C ATOM 724 CG1 VAL A 47 3.319 -8.370 1.437 1.00 51.41 C ATOM 725 CG2 VAL A 47 1.733 -6.479 1.938 1.00 22.33 C ATOM 0 H VAL A 47 -0.752 -8.021 1.361 1.00 25.33 H new ATOM 0 HA VAL A 47 1.474 -7.751 -0.525 1.00 42.04 H new ATOM 0 HB VAL A 47 1.430 -8.537 2.417 1.00 34.40 H new ATOM 0 HG11 VAL A 47 3.864 -8.122 2.348 1.00 51.41 H new ATOM 0 HG12 VAL A 47 3.382 -9.443 1.257 1.00 51.41 H new ATOM 0 HG13 VAL A 47 3.758 -7.835 0.595 1.00 51.41 H new ATOM 0 HG21 VAL A 47 2.309 -6.268 2.839 1.00 22.33 H new ATOM 0 HG22 VAL A 47 2.118 -5.881 1.112 1.00 22.33 H new ATOM 0 HG23 VAL A 47 0.686 -6.229 2.110 1.00 22.33 H new ATOM 735 N ASP A 48 1.515 -10.177 -1.170 1.00 11.42 N ATOM 736 CA ASP A 48 1.630 -11.583 -1.557 1.00 5.24 C ATOM 737 C ASP A 48 3.103 -11.975 -1.708 1.00 21.31 C ATOM 738 O ASP A 48 3.775 -11.561 -2.648 1.00 12.43 O ATOM 739 CB ASP A 48 0.871 -11.822 -2.867 1.00 12.41 C ATOM 740 CG ASP A 48 0.954 -13.262 -3.343 1.00 61.33 C ATOM 741 OD1 ASP A 48 0.273 -14.128 -2.753 1.00 15.33 O ATOM 742 OD2 ASP A 48 1.693 -13.538 -4.311 1.00 42.44 O ATOM 0 H ASP A 48 1.753 -9.518 -1.912 1.00 11.42 H new ATOM 0 HA ASP A 48 1.191 -12.205 -0.777 1.00 5.24 H new ATOM 0 HB2 ASP A 48 -0.175 -11.550 -2.730 1.00 12.41 H new ATOM 0 HB3 ASP A 48 1.273 -11.166 -3.639 1.00 12.41 H new ATOM 747 N GLY A 49 3.604 -12.764 -0.766 1.00 13.33 N ATOM 748 CA GLY A 49 5.012 -13.124 -0.765 1.00 52.35 C ATOM 749 C GLY A 49 5.931 -11.907 -0.678 1.00 34.21 C ATOM 750 O GLY A 49 6.021 -11.265 0.370 1.00 54.12 O ATOM 0 H GLY A 49 3.061 -13.163 -0.000 1.00 13.33 H new ATOM 0 HA2 GLY A 49 5.213 -13.787 0.077 1.00 52.35 H new ATOM 0 HA3 GLY A 49 5.241 -13.683 -1.672 1.00 52.35 H new ATOM 754 N GLU A 50 6.585 -11.576 -1.789 1.00 32.21 N ATOM 755 CA GLU A 50 7.545 -10.463 -1.841 1.00 3.33 C ATOM 756 C GLU A 50 7.073 -9.347 -2.799 1.00 65.44 C ATOM 757 O GLU A 50 7.877 -8.595 -3.349 1.00 61.42 O ATOM 758 CB GLU A 50 8.919 -11.016 -2.267 1.00 41.23 C ATOM 759 CG GLU A 50 9.482 -12.030 -1.271 1.00 24.14 C ATOM 760 CD GLU A 50 10.682 -12.801 -1.795 1.00 15.13 C ATOM 761 OE1 GLU A 50 11.819 -12.292 -1.692 1.00 73.45 O ATOM 762 OE2 GLU A 50 10.494 -13.936 -2.285 1.00 4.02 O ATOM 0 H GLU A 50 6.469 -12.065 -2.677 1.00 32.21 H new ATOM 0 HA GLU A 50 7.622 -10.012 -0.852 1.00 3.33 H new ATOM 0 HB2 GLU A 50 8.829 -11.486 -3.246 1.00 41.23 H new ATOM 0 HB3 GLU A 50 9.621 -10.189 -2.374 1.00 41.23 H new ATOM 0 HG2 GLU A 50 9.767 -11.508 -0.357 1.00 24.14 H new ATOM 0 HG3 GLU A 50 8.697 -12.737 -1.003 1.00 24.14 H new ATOM 769 N ARG A 51 5.753 -9.239 -2.968 1.00 51.03 N ATOM 770 CA ARG A 51 5.143 -8.224 -3.846 1.00 1.43 C ATOM 771 C ARG A 51 3.832 -7.686 -3.237 1.00 60.25 C ATOM 772 O ARG A 51 3.115 -8.413 -2.546 1.00 12.21 O ATOM 773 CB ARG A 51 4.881 -8.843 -5.228 1.00 54.23 C ATOM 774 CG ARG A 51 4.076 -10.136 -5.155 1.00 2.04 C ATOM 775 CD ARG A 51 4.003 -10.869 -6.488 1.00 51.52 C ATOM 776 NE ARG A 51 3.328 -12.158 -6.338 1.00 73.35 N ATOM 777 CZ ARG A 51 3.609 -13.230 -7.025 1.00 74.21 C ATOM 778 NH1 ARG A 51 4.515 -13.205 -7.951 1.00 50.14 N ATOM 779 NH2 ARG A 51 2.977 -14.329 -6.782 1.00 44.53 N ATOM 0 H ARG A 51 5.076 -9.846 -2.506 1.00 51.03 H new ATOM 0 HA ARG A 51 5.830 -7.384 -3.949 1.00 1.43 H new ATOM 0 HB2 ARG A 51 4.347 -8.123 -5.848 1.00 54.23 H new ATOM 0 HB3 ARG A 51 5.834 -9.041 -5.719 1.00 54.23 H new ATOM 0 HG2 ARG A 51 4.523 -10.794 -4.409 1.00 2.04 H new ATOM 0 HG3 ARG A 51 3.065 -9.909 -4.816 1.00 2.04 H new ATOM 0 HD2 ARG A 51 3.470 -10.257 -7.215 1.00 51.52 H new ATOM 0 HD3 ARG A 51 5.009 -11.024 -6.878 1.00 51.52 H new ATOM 0 HE ARG A 51 2.583 -12.223 -5.645 1.00 73.35 H new ATOM 0 HH11 ARG A 51 5.018 -12.340 -8.150 1.00 50.14 H new ATOM 0 HH12 ARG A 51 4.726 -14.050 -8.481 1.00 50.14 H new ATOM 0 HH21 ARG A 51 2.262 -14.356 -6.055 1.00 44.53 H new ATOM 0 HH22 ARG A 51 3.193 -15.170 -7.317 1.00 44.53 H new ATOM 793 N ILE A 52 3.519 -6.416 -3.494 1.00 71.11 N ATOM 794 CA ILE A 52 2.332 -5.774 -2.899 1.00 2.32 C ATOM 795 C ILE A 52 1.461 -5.069 -3.962 1.00 51.44 C ATOM 796 O ILE A 52 1.972 -4.538 -4.945 1.00 13.25 O ATOM 797 CB ILE A 52 2.754 -4.753 -1.804 1.00 13.44 C ATOM 798 CG1 ILE A 52 1.517 -4.139 -1.120 1.00 41.24 C ATOM 799 CG2 ILE A 52 3.646 -3.663 -2.399 1.00 14.41 C ATOM 800 CD1 ILE A 52 1.852 -3.194 0.019 1.00 2.43 C ATOM 0 H ILE A 52 4.064 -5.809 -4.106 1.00 71.11 H new ATOM 0 HA ILE A 52 1.734 -6.565 -2.446 1.00 2.32 H new ATOM 0 HB ILE A 52 3.328 -5.285 -1.045 1.00 13.44 H new ATOM 0 HG12 ILE A 52 0.931 -3.601 -1.865 1.00 41.24 H new ATOM 0 HG13 ILE A 52 0.888 -4.943 -0.739 1.00 41.24 H new ATOM 0 HG21 ILE A 52 3.930 -2.959 -1.617 1.00 14.41 H new ATOM 0 HG22 ILE A 52 4.542 -4.117 -2.822 1.00 14.41 H new ATOM 0 HG23 ILE A 52 3.102 -3.135 -3.182 1.00 14.41 H new ATOM 0 HD11 ILE A 52 0.931 -2.803 0.450 1.00 2.43 H new ATOM 0 HD12 ILE A 52 2.411 -3.731 0.785 1.00 2.43 H new ATOM 0 HD13 ILE A 52 2.455 -2.368 -0.359 1.00 2.43 H new ATOM 812 N ARG A 53 0.140 -5.081 -3.761 1.00 44.42 N ATOM 813 CA ARG A 53 -0.807 -4.442 -4.696 1.00 2.15 C ATOM 814 C ARG A 53 -2.064 -3.930 -3.971 1.00 64.35 C ATOM 815 O ARG A 53 -2.296 -4.251 -2.807 1.00 73.23 O ATOM 816 CB ARG A 53 -1.253 -5.436 -5.777 1.00 31.10 C ATOM 817 CG ARG A 53 -2.061 -6.611 -5.222 1.00 14.31 C ATOM 818 CD ARG A 53 -2.956 -7.252 -6.281 1.00 50.45 C ATOM 819 NE ARG A 53 -3.708 -8.382 -5.737 1.00 2.54 N ATOM 820 CZ ARG A 53 -4.928 -8.698 -6.079 1.00 4.33 C ATOM 821 NH1 ARG A 53 -5.595 -7.981 -6.926 1.00 71.43 N ATOM 822 NH2 ARG A 53 -5.489 -9.729 -5.537 1.00 12.15 N ATOM 0 H ARG A 53 -0.305 -5.526 -2.958 1.00 44.42 H new ATOM 0 HA ARG A 53 -0.282 -3.600 -5.147 1.00 2.15 H new ATOM 0 HB2 ARG A 53 -1.853 -4.910 -6.519 1.00 31.10 H new ATOM 0 HB3 ARG A 53 -0.373 -5.820 -6.293 1.00 31.10 H new ATOM 0 HG2 ARG A 53 -1.379 -7.362 -4.823 1.00 14.31 H new ATOM 0 HG3 ARG A 53 -2.676 -6.266 -4.391 1.00 14.31 H new ATOM 0 HD2 ARG A 53 -3.649 -6.507 -6.672 1.00 50.45 H new ATOM 0 HD3 ARG A 53 -2.345 -7.590 -7.118 1.00 50.45 H new ATOM 0 HE ARG A 53 -3.246 -8.966 -5.040 1.00 2.54 H new ATOM 0 HH11 ARG A 53 -5.169 -7.152 -7.340 1.00 71.43 H new ATOM 0 HH12 ARG A 53 -6.547 -8.245 -7.180 1.00 71.43 H new ATOM 0 HH21 ARG A 53 -4.979 -10.285 -4.851 1.00 12.15 H new ATOM 0 HH22 ARG A 53 -6.442 -9.986 -5.796 1.00 12.15 H new ATOM 836 N ILE A 54 -2.876 -3.140 -4.674 1.00 4.05 N ATOM 837 CA ILE A 54 -4.210 -2.771 -4.183 1.00 64.21 C ATOM 838 C ILE A 54 -5.280 -3.699 -4.784 1.00 32.34 C ATOM 839 O ILE A 54 -5.454 -3.751 -6.004 1.00 1.01 O ATOM 840 CB ILE A 54 -4.574 -1.300 -4.520 1.00 33.12 C ATOM 841 CG1 ILE A 54 -3.604 -0.334 -3.823 1.00 14.31 C ATOM 842 CG2 ILE A 54 -6.021 -0.997 -4.119 1.00 2.45 C ATOM 843 CD1 ILE A 54 -3.967 1.128 -3.988 1.00 11.34 C ATOM 0 H ILE A 54 -2.637 -2.743 -5.583 1.00 4.05 H new ATOM 0 HA ILE A 54 -4.185 -2.878 -3.099 1.00 64.21 H new ATOM 0 HB ILE A 54 -4.483 -1.160 -5.597 1.00 33.12 H new ATOM 0 HG12 ILE A 54 -3.571 -0.572 -2.760 1.00 14.31 H new ATOM 0 HG13 ILE A 54 -2.601 -0.496 -4.217 1.00 14.31 H new ATOM 0 HG21 ILE A 54 -6.257 0.039 -4.363 1.00 2.45 H new ATOM 0 HG22 ILE A 54 -6.695 -1.660 -4.661 1.00 2.45 H new ATOM 0 HG23 ILE A 54 -6.142 -1.154 -3.047 1.00 2.45 H new ATOM 0 HD11 ILE A 54 -3.235 1.746 -3.468 1.00 11.34 H new ATOM 0 HD12 ILE A 54 -3.971 1.385 -5.047 1.00 11.34 H new ATOM 0 HD13 ILE A 54 -4.957 1.307 -3.568 1.00 11.34 H new ATOM 855 N LYS A 55 -5.988 -4.433 -3.930 1.00 54.14 N ATOM 856 CA LYS A 55 -7.041 -5.350 -4.386 1.00 71.34 C ATOM 857 C LYS A 55 -8.386 -4.628 -4.554 1.00 4.23 C ATOM 858 O LYS A 55 -9.162 -4.935 -5.466 1.00 41.31 O ATOM 859 CB LYS A 55 -7.205 -6.512 -3.396 1.00 52.41 C ATOM 860 CG LYS A 55 -8.380 -7.431 -3.733 1.00 61.21 C ATOM 861 CD LYS A 55 -8.524 -8.575 -2.738 1.00 72.10 C ATOM 862 CE LYS A 55 -7.285 -9.457 -2.711 1.00 50.42 C ATOM 863 NZ LYS A 55 -7.487 -10.681 -1.896 1.00 23.33 N ATOM 0 H LYS A 55 -5.856 -4.414 -2.919 1.00 54.14 H new ATOM 0 HA LYS A 55 -6.736 -5.738 -5.358 1.00 71.34 H new ATOM 0 HB2 LYS A 55 -6.287 -7.099 -3.380 1.00 52.41 H new ATOM 0 HB3 LYS A 55 -7.344 -6.109 -2.393 1.00 52.41 H new ATOM 0 HG2 LYS A 55 -9.301 -6.848 -3.749 1.00 61.21 H new ATOM 0 HG3 LYS A 55 -8.244 -7.839 -4.735 1.00 61.21 H new ATOM 0 HD2 LYS A 55 -8.704 -8.170 -1.742 1.00 72.10 H new ATOM 0 HD3 LYS A 55 -9.394 -9.177 -3.000 1.00 72.10 H new ATOM 0 HE2 LYS A 55 -7.020 -9.740 -3.730 1.00 50.42 H new ATOM 0 HE3 LYS A 55 -6.445 -8.889 -2.310 1.00 50.42 H new ATOM 0 HZ1 LYS A 55 -6.564 -11.100 -1.665 1.00 23.33 H new ATOM 0 HZ2 LYS A 55 -7.985 -10.435 -1.017 1.00 23.33 H new ATOM 0 HZ3 LYS A 55 -8.054 -11.367 -2.434 1.00 23.33 H new ATOM 877 N GLU A 56 -8.662 -3.676 -3.672 1.00 21.20 N ATOM 878 CA GLU A 56 -9.957 -2.995 -3.664 1.00 32.44 C ATOM 879 C GLU A 56 -9.847 -1.584 -3.075 1.00 64.43 C ATOM 880 O GLU A 56 -9.151 -1.371 -2.083 1.00 10.11 O ATOM 881 CB GLU A 56 -10.965 -3.822 -2.847 1.00 71.14 C ATOM 882 CG GLU A 56 -12.406 -3.342 -2.965 1.00 2.43 C ATOM 883 CD GLU A 56 -12.919 -3.411 -4.394 1.00 41.12 C ATOM 884 OE1 GLU A 56 -13.281 -4.516 -4.846 1.00 21.34 O ATOM 885 OE2 GLU A 56 -12.939 -2.365 -5.074 1.00 35.52 O ATOM 0 H GLU A 56 -8.012 -3.356 -2.954 1.00 21.20 H new ATOM 0 HA GLU A 56 -10.299 -2.902 -4.695 1.00 32.44 H new ATOM 0 HB2 GLU A 56 -10.912 -4.862 -3.171 1.00 71.14 H new ATOM 0 HB3 GLU A 56 -10.671 -3.799 -1.798 1.00 71.14 H new ATOM 0 HG2 GLU A 56 -13.043 -3.949 -2.322 1.00 2.43 H new ATOM 0 HG3 GLU A 56 -12.476 -2.316 -2.605 1.00 2.43 H new ATOM 892 N ASP A 57 -10.531 -0.621 -3.686 1.00 13.13 N ATOM 893 CA ASP A 57 -10.587 0.743 -3.155 1.00 51.52 C ATOM 894 C ASP A 57 -11.877 1.445 -3.604 1.00 33.44 C ATOM 895 O ASP A 57 -12.436 1.133 -4.658 1.00 70.43 O ATOM 896 CB ASP A 57 -9.351 1.557 -3.585 1.00 65.04 C ATOM 897 CG ASP A 57 -9.351 1.932 -5.062 1.00 21.32 C ATOM 898 OD1 ASP A 57 -10.035 2.914 -5.422 1.00 73.21 O ATOM 899 OD2 ASP A 57 -8.654 1.268 -5.855 1.00 62.24 O ATOM 0 H ASP A 57 -11.056 -0.757 -4.550 1.00 13.13 H new ATOM 0 HA ASP A 57 -10.587 0.680 -2.067 1.00 51.52 H new ATOM 0 HB2 ASP A 57 -9.300 2.467 -2.988 1.00 65.04 H new ATOM 0 HB3 ASP A 57 -8.452 0.981 -3.365 1.00 65.04 H new ATOM 904 N ASN A 58 -12.358 2.386 -2.798 1.00 54.22 N ATOM 905 CA ASN A 58 -13.567 3.139 -3.139 1.00 0.11 C ATOM 906 C ASN A 58 -13.214 4.536 -3.667 1.00 52.03 C ATOM 907 O ASN A 58 -13.320 5.529 -2.951 1.00 65.35 O ATOM 908 CB ASN A 58 -14.502 3.241 -1.924 1.00 24.31 C ATOM 909 CG ASN A 58 -15.768 4.031 -2.216 1.00 62.15 C ATOM 910 OD1 ASN A 58 -16.239 4.086 -3.349 1.00 32.31 O ATOM 911 ND2 ASN A 58 -16.332 4.646 -1.199 1.00 43.13 N ATOM 0 H ASN A 58 -11.934 2.647 -1.908 1.00 54.22 H new ATOM 0 HA ASN A 58 -14.088 2.600 -3.931 1.00 0.11 H new ATOM 0 HB2 ASN A 58 -14.774 2.238 -1.596 1.00 24.31 H new ATOM 0 HB3 ASN A 58 -13.968 3.713 -1.099 1.00 24.31 H new ATOM 0 HD21 ASN A 58 -17.185 5.188 -1.340 1.00 43.13 H new ATOM 0 HD22 ASN A 58 -15.917 4.581 -0.270 1.00 43.13 H new ATOM 918 N SER A 59 -12.735 4.598 -4.902 1.00 64.44 N ATOM 919 CA SER A 59 -12.486 5.882 -5.577 1.00 64.55 C ATOM 920 C SER A 59 -13.231 5.932 -6.913 1.00 30.14 C ATOM 921 O SER A 59 -13.458 4.897 -7.543 1.00 12.01 O ATOM 922 CB SER A 59 -10.984 6.100 -5.825 1.00 24.53 C ATOM 923 OG SER A 59 -10.502 5.252 -6.856 1.00 42.12 O ATOM 0 H SER A 59 -12.508 3.778 -5.464 1.00 64.44 H new ATOM 0 HA SER A 59 -12.850 6.675 -4.923 1.00 64.55 H new ATOM 0 HB2 SER A 59 -10.805 7.141 -6.094 1.00 24.53 H new ATOM 0 HB3 SER A 59 -10.430 5.909 -4.906 1.00 24.53 H new ATOM 0 HG SER A 59 -10.291 4.371 -6.483 1.00 42.12 H new ATOM 929 N PRO A 60 -13.626 7.135 -7.374 1.00 54.24 N ATOM 930 CA PRO A 60 -14.288 7.300 -8.677 1.00 62.24 C ATOM 931 C PRO A 60 -13.339 6.979 -9.841 1.00 24.11 C ATOM 932 O PRO A 60 -13.764 6.535 -10.912 1.00 42.03 O ATOM 933 CB PRO A 60 -14.693 8.789 -8.701 1.00 51.44 C ATOM 934 CG PRO A 60 -14.539 9.269 -7.292 1.00 11.11 C ATOM 935 CD PRO A 60 -13.462 8.421 -6.678 1.00 63.12 C ATOM 0 HA PRO A 60 -15.135 6.624 -8.795 1.00 62.24 H new ATOM 0 HB2 PRO A 60 -14.058 9.357 -9.381 1.00 51.44 H new ATOM 0 HB3 PRO A 60 -15.719 8.911 -9.047 1.00 51.44 H new ATOM 0 HG2 PRO A 60 -14.266 10.324 -7.267 1.00 11.11 H new ATOM 0 HG3 PRO A 60 -15.475 9.169 -6.742 1.00 11.11 H new ATOM 0 HD2 PRO A 60 -12.471 8.845 -6.840 1.00 63.12 H new ATOM 0 HD3 PRO A 60 -13.593 8.318 -5.601 1.00 63.12 H new ATOM 943 N ASP A 61 -12.049 7.206 -9.605 1.00 41.11 N ATOM 944 CA ASP A 61 -11.010 7.013 -10.620 1.00 60.51 C ATOM 945 C ASP A 61 -10.566 5.540 -10.715 1.00 31.31 C ATOM 946 O ASP A 61 -10.249 5.047 -11.798 1.00 4.21 O ATOM 947 CB ASP A 61 -9.809 7.900 -10.271 1.00 5.32 C ATOM 948 CG ASP A 61 -10.246 9.253 -9.735 1.00 52.21 C ATOM 949 OD1 ASP A 61 -10.492 9.354 -8.515 1.00 51.24 O ATOM 950 OD2 ASP A 61 -10.376 10.205 -10.530 1.00 74.23 O ATOM 0 H ASP A 61 -11.692 7.529 -8.706 1.00 41.11 H new ATOM 0 HA ASP A 61 -11.420 7.291 -11.591 1.00 60.51 H new ATOM 0 HB2 ASP A 61 -9.189 7.397 -9.528 1.00 5.32 H new ATOM 0 HB3 ASP A 61 -9.192 8.042 -11.158 1.00 5.32 H new ATOM 955 N GLN A 62 -10.531 4.855 -9.566 1.00 5.22 N ATOM 956 CA GLN A 62 -10.111 3.442 -9.490 1.00 73.54 C ATOM 957 C GLN A 62 -8.645 3.242 -9.918 1.00 62.01 C ATOM 958 O GLN A 62 -8.233 2.135 -10.266 1.00 70.33 O ATOM 959 CB GLN A 62 -11.041 2.553 -10.337 1.00 51.20 C ATOM 960 CG GLN A 62 -12.429 2.354 -9.734 1.00 53.22 C ATOM 961 CD GLN A 62 -12.382 1.605 -8.413 1.00 54.00 C ATOM 962 OE1 GLN A 62 -12.441 0.379 -8.378 1.00 1.14 O ATOM 963 NE2 GLN A 62 -12.286 2.328 -7.318 1.00 73.43 N ATOM 0 H GLN A 62 -10.790 5.257 -8.665 1.00 5.22 H new ATOM 0 HA GLN A 62 -10.187 3.144 -8.444 1.00 73.54 H new ATOM 0 HB2 GLN A 62 -11.147 2.996 -11.328 1.00 51.20 H new ATOM 0 HB3 GLN A 62 -10.572 1.579 -10.472 1.00 51.20 H new ATOM 0 HG2 GLN A 62 -12.899 3.326 -9.582 1.00 53.22 H new ATOM 0 HG3 GLN A 62 -13.053 1.805 -10.439 1.00 53.22 H new ATOM 0 HE21 GLN A 62 -12.239 3.345 -7.381 1.00 73.43 H new ATOM 0 HE22 GLN A 62 -12.259 1.872 -6.406 1.00 73.43 H new ATOM 972 N VAL A 63 -7.857 4.314 -9.858 1.00 34.02 N ATOM 973 CA VAL A 63 -6.434 4.259 -10.226 1.00 13.31 C ATOM 974 C VAL A 63 -5.670 3.223 -9.385 1.00 74.32 C ATOM 975 O VAL A 63 -4.818 2.500 -9.904 1.00 15.33 O ATOM 976 CB VAL A 63 -5.754 5.646 -10.067 1.00 4.32 C ATOM 977 CG1 VAL A 63 -4.268 5.573 -10.424 1.00 24.01 C ATOM 978 CG2 VAL A 63 -6.462 6.696 -10.921 1.00 55.44 C ATOM 0 H VAL A 63 -8.176 5.235 -9.558 1.00 34.02 H new ATOM 0 HA VAL A 63 -6.396 3.960 -11.273 1.00 13.31 H new ATOM 0 HB VAL A 63 -5.836 5.942 -9.021 1.00 4.32 H new ATOM 0 HG11 VAL A 63 -3.816 6.558 -10.304 1.00 24.01 H new ATOM 0 HG12 VAL A 63 -3.770 4.862 -9.764 1.00 24.01 H new ATOM 0 HG13 VAL A 63 -4.158 5.247 -11.458 1.00 24.01 H new ATOM 0 HG21 VAL A 63 -5.969 7.660 -10.795 1.00 55.44 H new ATOM 0 HG22 VAL A 63 -6.419 6.401 -11.970 1.00 55.44 H new ATOM 0 HG23 VAL A 63 -7.503 6.777 -10.609 1.00 55.44 H new ATOM 988 N GLY A 64 -6.014 3.128 -8.100 1.00 41.33 N ATOM 989 CA GLY A 64 -5.312 2.234 -7.183 1.00 61.33 C ATOM 990 C GLY A 64 -5.219 0.797 -7.688 1.00 61.33 C ATOM 991 O GLY A 64 -4.123 0.250 -7.833 1.00 22.01 O ATOM 0 H GLY A 64 -6.773 3.659 -7.673 1.00 41.33 H new ATOM 0 HA2 GLY A 64 -4.306 2.617 -7.013 1.00 61.33 H new ATOM 0 HA3 GLY A 64 -5.822 2.240 -6.220 1.00 61.33 H new ATOM 995 N VAL A 65 -6.367 0.186 -7.966 1.00 42.45 N ATOM 996 CA VAL A 65 -6.400 -1.170 -8.526 1.00 41.15 C ATOM 997 C VAL A 65 -5.717 -1.230 -9.908 1.00 42.53 C ATOM 998 O VAL A 65 -5.070 -2.221 -10.253 1.00 42.02 O ATOM 999 CB VAL A 65 -7.855 -1.697 -8.644 1.00 12.05 C ATOM 1000 CG1 VAL A 65 -7.878 -3.129 -9.179 1.00 64.21 C ATOM 1001 CG2 VAL A 65 -8.568 -1.612 -7.296 1.00 61.11 C ATOM 0 H VAL A 65 -7.286 0.603 -7.815 1.00 42.45 H new ATOM 0 HA VAL A 65 -5.848 -1.808 -7.836 1.00 41.15 H new ATOM 0 HB VAL A 65 -8.387 -1.065 -9.355 1.00 12.05 H new ATOM 0 HG11 VAL A 65 -8.909 -3.474 -9.252 1.00 64.21 H new ATOM 0 HG12 VAL A 65 -7.416 -3.156 -10.166 1.00 64.21 H new ATOM 0 HG13 VAL A 65 -7.325 -3.780 -8.501 1.00 64.21 H new ATOM 0 HG21 VAL A 65 -9.587 -1.986 -7.399 1.00 61.11 H new ATOM 0 HG22 VAL A 65 -8.033 -2.215 -6.563 1.00 61.11 H new ATOM 0 HG23 VAL A 65 -8.594 -0.574 -6.963 1.00 61.11 H new ATOM 1011 N LYS A 66 -5.855 -0.157 -10.685 1.00 22.11 N ATOM 1012 CA LYS A 66 -5.255 -0.082 -12.028 1.00 34.55 C ATOM 1013 C LYS A 66 -3.713 -0.071 -11.985 1.00 52.21 C ATOM 1014 O LYS A 66 -3.061 -0.521 -12.930 1.00 23.20 O ATOM 1015 CB LYS A 66 -5.777 1.158 -12.785 1.00 62.04 C ATOM 1016 CG LYS A 66 -7.023 0.903 -13.639 1.00 73.21 C ATOM 1017 CD LYS A 66 -8.191 0.340 -12.832 1.00 31.23 C ATOM 1018 CE LYS A 66 -9.429 0.123 -13.702 1.00 5.03 C ATOM 1019 NZ LYS A 66 -10.546 -0.506 -12.948 1.00 74.12 N ATOM 0 H LYS A 66 -6.376 0.676 -10.413 1.00 22.11 H new ATOM 0 HA LYS A 66 -5.557 -0.983 -12.561 1.00 34.55 H new ATOM 0 HB2 LYS A 66 -6.002 1.942 -12.061 1.00 62.04 H new ATOM 0 HB3 LYS A 66 -4.982 1.537 -13.428 1.00 62.04 H new ATOM 0 HG2 LYS A 66 -7.331 1.836 -14.112 1.00 73.21 H new ATOM 0 HG3 LYS A 66 -6.772 0.207 -14.440 1.00 73.21 H new ATOM 0 HD2 LYS A 66 -7.896 -0.606 -12.377 1.00 31.23 H new ATOM 0 HD3 LYS A 66 -8.434 1.023 -12.018 1.00 31.23 H new ATOM 0 HE2 LYS A 66 -9.759 1.080 -14.105 1.00 5.03 H new ATOM 0 HE3 LYS A 66 -9.167 -0.507 -14.552 1.00 5.03 H new ATOM 0 HZ1 LYS A 66 -11.363 -0.633 -13.579 1.00 74.12 H new ATOM 0 HZ2 LYS A 66 -10.242 -1.432 -12.585 1.00 74.12 H new ATOM 0 HZ3 LYS A 66 -10.816 0.106 -12.152 1.00 74.12 H new ATOM 1033 N MET A 67 -3.127 0.441 -10.899 1.00 74.44 N ATOM 1034 CA MET A 67 -1.660 0.510 -10.780 1.00 33.21 C ATOM 1035 C MET A 67 -1.023 -0.895 -10.752 1.00 34.23 C ATOM 1036 O MET A 67 0.151 -1.060 -11.089 1.00 4.12 O ATOM 1037 CB MET A 67 -1.250 1.312 -9.534 1.00 1.31 C ATOM 1038 CG MET A 67 -1.886 2.698 -9.460 1.00 33.33 C ATOM 1039 SD MET A 67 -1.113 3.777 -8.235 1.00 52.32 S ATOM 1040 CE MET A 67 0.426 4.168 -9.064 1.00 74.31 C ATOM 0 H MET A 67 -3.635 0.811 -10.096 1.00 74.44 H new ATOM 0 HA MET A 67 -1.286 1.026 -11.665 1.00 33.21 H new ATOM 0 HB2 MET A 67 -1.525 0.748 -8.643 1.00 1.31 H new ATOM 0 HB3 MET A 67 -0.165 1.418 -9.522 1.00 1.31 H new ATOM 0 HG2 MET A 67 -1.824 3.171 -10.440 1.00 33.33 H new ATOM 0 HG3 MET A 67 -2.945 2.592 -9.223 1.00 33.33 H new ATOM 0 HE1 MET A 67 0.896 5.021 -8.575 1.00 74.31 H new ATOM 0 HE2 MET A 67 1.094 3.308 -9.015 1.00 74.31 H new ATOM 0 HE3 MET A 67 0.225 4.413 -10.107 1.00 74.31 H new ATOM 1050 N GLY A 68 -1.804 -1.896 -10.342 1.00 51.44 N ATOM 1051 CA GLY A 68 -1.354 -3.288 -10.410 1.00 3.12 C ATOM 1052 C GLY A 68 -0.374 -3.691 -9.307 1.00 31.22 C ATOM 1053 O GLY A 68 -0.376 -3.119 -8.214 1.00 23.45 O ATOM 0 H GLY A 68 -2.743 -1.771 -9.963 1.00 51.44 H new ATOM 0 HA2 GLY A 68 -2.225 -3.941 -10.361 1.00 3.12 H new ATOM 0 HA3 GLY A 68 -0.882 -3.457 -11.378 1.00 3.12 H new ATOM 1057 N TRP A 69 0.456 -4.693 -9.597 1.00 30.13 N ATOM 1058 CA TRP A 69 1.443 -5.198 -8.632 1.00 24.10 C ATOM 1059 C TRP A 69 2.703 -4.322 -8.584 1.00 74.41 C ATOM 1060 O TRP A 69 3.173 -3.827 -9.608 1.00 21.53 O ATOM 1061 CB TRP A 69 1.850 -6.636 -8.984 1.00 11.23 C ATOM 1062 CG TRP A 69 0.755 -7.651 -8.815 1.00 64.05 C ATOM 1063 CD1 TRP A 69 -0.183 -8.014 -9.738 1.00 25.41 C ATOM 1064 CD2 TRP A 69 0.498 -8.445 -7.649 1.00 41.22 C ATOM 1065 NE1 TRP A 69 -1.005 -8.985 -9.219 1.00 2.34 N ATOM 1066 CE2 TRP A 69 -0.609 -9.263 -7.938 1.00 54.00 C ATOM 1067 CE3 TRP A 69 1.091 -8.540 -6.390 1.00 74.32 C ATOM 1068 CZ2 TRP A 69 -1.129 -10.168 -7.016 1.00 72.15 C ATOM 1069 CZ3 TRP A 69 0.574 -9.436 -5.475 1.00 61.22 C ATOM 1070 CH2 TRP A 69 -0.527 -10.238 -5.792 1.00 31.54 C ATOM 0 H TRP A 69 0.467 -5.175 -10.496 1.00 30.13 H new ATOM 0 HA TRP A 69 0.968 -5.172 -7.651 1.00 24.10 H new ATOM 0 HB2 TRP A 69 2.195 -6.660 -10.018 1.00 11.23 H new ATOM 0 HB3 TRP A 69 2.695 -6.924 -8.359 1.00 11.23 H new ATOM 0 HD1 TRP A 69 -0.267 -7.599 -10.731 1.00 25.41 H new ATOM 0 HE1 TRP A 69 -1.783 -9.427 -9.708 1.00 2.34 H new ATOM 0 HE3 TRP A 69 1.940 -7.923 -6.135 1.00 74.32 H new ATOM 0 HZ2 TRP A 69 -1.977 -10.791 -7.260 1.00 72.15 H new ATOM 0 HZ3 TRP A 69 1.028 -9.519 -4.498 1.00 61.22 H new ATOM 0 HH2 TRP A 69 -0.909 -10.927 -5.053 1.00 31.54 H new ATOM 1081 N LYS A 70 3.246 -4.149 -7.386 1.00 40.45 N ATOM 1082 CA LYS A 70 4.504 -3.420 -7.180 1.00 23.21 C ATOM 1083 C LYS A 70 5.493 -4.304 -6.407 1.00 11.33 C ATOM 1084 O LYS A 70 5.119 -4.929 -5.411 1.00 2.43 O ATOM 1085 CB LYS A 70 4.230 -2.113 -6.419 1.00 43.21 C ATOM 1086 CG LYS A 70 3.256 -1.181 -7.137 1.00 25.51 C ATOM 1087 CD LYS A 70 3.801 -0.730 -8.492 1.00 43.11 C ATOM 1088 CE LYS A 70 2.779 0.076 -9.285 1.00 55.14 C ATOM 1089 NZ LYS A 70 3.362 0.617 -10.544 1.00 30.51 N ATOM 0 H LYS A 70 2.832 -4.508 -6.526 1.00 40.45 H new ATOM 0 HA LYS A 70 4.944 -3.170 -8.146 1.00 23.21 H new ATOM 0 HB2 LYS A 70 3.831 -2.353 -5.433 1.00 43.21 H new ATOM 0 HB3 LYS A 70 5.173 -1.589 -6.262 1.00 43.21 H new ATOM 0 HG2 LYS A 70 2.303 -1.690 -7.279 1.00 25.51 H new ATOM 0 HG3 LYS A 70 3.061 -0.308 -6.514 1.00 25.51 H new ATOM 0 HD2 LYS A 70 4.697 -0.128 -8.339 1.00 43.11 H new ATOM 0 HD3 LYS A 70 4.100 -1.604 -9.071 1.00 43.11 H new ATOM 0 HE2 LYS A 70 1.923 -0.555 -9.522 1.00 55.14 H new ATOM 0 HE3 LYS A 70 2.409 0.898 -8.672 1.00 55.14 H new ATOM 0 HZ1 LYS A 70 2.638 1.159 -11.057 1.00 30.51 H new ATOM 0 HZ2 LYS A 70 4.164 1.239 -10.316 1.00 30.51 H new ATOM 0 HZ3 LYS A 70 3.692 -0.169 -11.140 1.00 30.51 H new ATOM 1103 N SER A 71 6.750 -4.371 -6.854 1.00 21.23 N ATOM 1104 CA SER A 71 7.691 -5.361 -6.297 1.00 32.04 C ATOM 1105 C SER A 71 9.172 -4.972 -6.440 1.00 54.00 C ATOM 1106 O SER A 71 10.034 -5.851 -6.505 1.00 14.33 O ATOM 1107 CB SER A 71 7.456 -6.725 -6.968 1.00 12.54 C ATOM 1108 OG SER A 71 7.544 -6.632 -8.385 1.00 14.24 O ATOM 0 H SER A 71 7.138 -3.770 -7.581 1.00 21.23 H new ATOM 0 HA SER A 71 7.488 -5.405 -5.227 1.00 32.04 H new ATOM 0 HB2 SER A 71 8.191 -7.442 -6.603 1.00 12.54 H new ATOM 0 HB3 SER A 71 6.474 -7.105 -6.688 1.00 12.54 H new ATOM 0 HG SER A 71 7.392 -7.515 -8.781 1.00 14.24 H new ATOM 1114 N LYS A 72 9.485 -3.678 -6.476 1.00 44.14 N ATOM 1115 CA LYS A 72 10.891 -3.239 -6.423 1.00 65.11 C ATOM 1116 C LYS A 72 11.040 -1.769 -5.996 1.00 3.34 C ATOM 1117 O LYS A 72 10.085 -0.990 -6.041 1.00 54.32 O ATOM 1118 CB LYS A 72 11.610 -3.509 -7.766 1.00 4.03 C ATOM 1119 CG LYS A 72 10.967 -2.890 -9.011 1.00 13.13 C ATOM 1120 CD LYS A 72 11.193 -1.379 -9.105 1.00 50.54 C ATOM 1121 CE LYS A 72 10.792 -0.831 -10.468 1.00 40.24 C ATOM 1122 NZ LYS A 72 9.398 -1.197 -10.829 1.00 40.11 N ATOM 0 H LYS A 72 8.803 -2.922 -6.540 1.00 44.14 H new ATOM 0 HA LYS A 72 11.375 -3.836 -5.650 1.00 65.11 H new ATOM 0 HB2 LYS A 72 12.632 -3.139 -7.688 1.00 4.03 H new ATOM 0 HB3 LYS A 72 11.671 -4.587 -7.912 1.00 4.03 H new ATOM 0 HG2 LYS A 72 11.374 -3.370 -9.901 1.00 13.13 H new ATOM 0 HG3 LYS A 72 9.896 -3.093 -9.000 1.00 13.13 H new ATOM 0 HD2 LYS A 72 10.618 -0.876 -8.328 1.00 50.54 H new ATOM 0 HD3 LYS A 72 12.244 -1.156 -8.918 1.00 50.54 H new ATOM 0 HE2 LYS A 72 10.892 0.254 -10.466 1.00 40.24 H new ATOM 0 HE3 LYS A 72 11.475 -1.213 -11.227 1.00 40.24 H new ATOM 0 HZ1 LYS A 72 9.233 -0.985 -11.834 1.00 40.11 H new ATOM 0 HZ2 LYS A 72 9.251 -2.213 -10.661 1.00 40.11 H new ATOM 0 HZ3 LYS A 72 8.733 -0.650 -10.246 1.00 40.11 H new ATOM 1136 N ALA A 73 12.252 -1.401 -5.573 1.00 61.54 N ATOM 1137 CA ALA A 73 12.550 -0.030 -5.151 1.00 44.44 C ATOM 1138 C ALA A 73 12.306 0.968 -6.292 1.00 61.53 C ATOM 1139 O ALA A 73 12.945 0.898 -7.343 1.00 31.20 O ATOM 1140 CB ALA A 73 13.987 0.066 -4.650 1.00 0.30 C ATOM 0 H ALA A 73 13.047 -2.037 -5.514 1.00 61.54 H new ATOM 0 HA ALA A 73 11.876 0.229 -4.335 1.00 44.44 H new ATOM 0 HB1 ALA A 73 14.196 1.090 -4.339 1.00 0.30 H new ATOM 0 HB2 ALA A 73 14.122 -0.605 -3.802 1.00 0.30 H new ATOM 0 HB3 ALA A 73 14.671 -0.217 -5.450 1.00 0.30 H new ATOM 1146 N GLY A 74 11.372 1.892 -6.079 1.00 14.22 N ATOM 1147 CA GLY A 74 10.993 2.841 -7.122 1.00 3.25 C ATOM 1148 C GLY A 74 9.503 2.794 -7.447 1.00 11.54 C ATOM 1149 O GLY A 74 8.965 3.711 -8.073 1.00 31.34 O ATOM 0 H GLY A 74 10.867 2.003 -5.200 1.00 14.22 H new ATOM 0 HA2 GLY A 74 11.260 3.849 -6.805 1.00 3.25 H new ATOM 0 HA3 GLY A 74 11.565 2.629 -8.026 1.00 3.25 H new ATOM 1153 N ASP A 75 8.834 1.717 -7.041 1.00 72.50 N ATOM 1154 CA ASP A 75 7.385 1.591 -7.226 1.00 52.02 C ATOM 1155 C ASP A 75 6.613 2.459 -6.218 1.00 71.13 C ATOM 1156 O ASP A 75 6.845 2.386 -5.011 1.00 70.15 O ATOM 1157 CB ASP A 75 6.951 0.128 -7.094 1.00 74.12 C ATOM 1158 CG ASP A 75 7.393 -0.728 -8.268 1.00 13.15 C ATOM 1159 OD1 ASP A 75 7.229 -0.282 -9.426 1.00 25.33 O ATOM 1160 OD2 ASP A 75 7.896 -1.845 -8.047 1.00 60.45 O ATOM 0 H ASP A 75 9.270 0.917 -6.581 1.00 72.50 H new ATOM 0 HA ASP A 75 7.150 1.944 -8.230 1.00 52.02 H new ATOM 0 HB2 ASP A 75 7.363 -0.286 -6.174 1.00 74.12 H new ATOM 0 HB3 ASP A 75 5.865 0.083 -7.006 1.00 74.12 H new ATOM 1165 N THR A 76 5.693 3.279 -6.725 1.00 60.20 N ATOM 1166 CA THR A 76 4.873 4.153 -5.873 1.00 22.04 C ATOM 1167 C THR A 76 3.380 4.040 -6.214 1.00 52.43 C ATOM 1168 O THR A 76 3.008 3.870 -7.375 1.00 54.20 O ATOM 1169 CB THR A 76 5.294 5.644 -6.000 1.00 21.22 C ATOM 1170 OG1 THR A 76 5.126 6.096 -7.354 1.00 21.01 O ATOM 1171 CG2 THR A 76 6.745 5.850 -5.572 1.00 71.04 C ATOM 0 H THR A 76 5.493 3.360 -7.722 1.00 60.20 H new ATOM 0 HA THR A 76 5.040 3.816 -4.850 1.00 22.04 H new ATOM 0 HB THR A 76 4.652 6.226 -5.338 1.00 21.22 H new ATOM 0 HG1 THR A 76 5.393 7.037 -7.420 1.00 21.01 H new ATOM 0 HG21 THR A 76 7.008 6.903 -5.673 1.00 71.04 H new ATOM 0 HG22 THR A 76 6.865 5.544 -4.533 1.00 71.04 H new ATOM 0 HG23 THR A 76 7.400 5.250 -6.205 1.00 71.04 H new ATOM 1179 N ILE A 77 2.531 4.128 -5.193 1.00 15.43 N ATOM 1180 CA ILE A 77 1.073 4.115 -5.367 1.00 44.51 C ATOM 1181 C ILE A 77 0.472 5.467 -4.946 1.00 41.01 C ATOM 1182 O ILE A 77 0.733 5.948 -3.840 1.00 3.14 O ATOM 1183 CB ILE A 77 0.414 2.992 -4.524 1.00 23.32 C ATOM 1184 CG1 ILE A 77 0.945 1.608 -4.932 1.00 32.45 C ATOM 1185 CG2 ILE A 77 -1.110 3.041 -4.649 1.00 54.35 C ATOM 1186 CD1 ILE A 77 0.618 1.219 -6.358 1.00 10.43 C ATOM 0 H ILE A 77 2.830 4.210 -4.221 1.00 15.43 H new ATOM 0 HA ILE A 77 0.873 3.930 -6.422 1.00 44.51 H new ATOM 0 HB ILE A 77 0.679 3.161 -3.480 1.00 23.32 H new ATOM 0 HG12 ILE A 77 2.027 1.592 -4.801 1.00 32.45 H new ATOM 0 HG13 ILE A 77 0.531 0.858 -4.258 1.00 32.45 H new ATOM 0 HG21 ILE A 77 -1.550 2.244 -4.049 1.00 54.35 H new ATOM 0 HG22 ILE A 77 -1.473 4.005 -4.294 1.00 54.35 H new ATOM 0 HG23 ILE A 77 -1.394 2.908 -5.693 1.00 54.35 H new ATOM 0 HD11 ILE A 77 1.027 0.231 -6.568 1.00 10.43 H new ATOM 0 HD12 ILE A 77 -0.464 1.200 -6.491 1.00 10.43 H new ATOM 0 HD13 ILE A 77 1.055 1.946 -7.043 1.00 10.43 H new ATOM 1198 N VAL A 78 -0.334 6.072 -5.818 1.00 34.44 N ATOM 1199 CA VAL A 78 -0.916 7.393 -5.537 1.00 53.33 C ATOM 1200 C VAL A 78 -2.452 7.333 -5.463 1.00 43.33 C ATOM 1201 O VAL A 78 -3.124 7.025 -6.449 1.00 33.21 O ATOM 1202 CB VAL A 78 -0.500 8.421 -6.622 1.00 60.11 C ATOM 1203 CG1 VAL A 78 -1.031 9.815 -6.288 1.00 73.45 C ATOM 1204 CG2 VAL A 78 1.019 8.446 -6.796 1.00 32.11 C ATOM 0 H VAL A 78 -0.600 5.676 -6.719 1.00 34.44 H new ATOM 0 HA VAL A 78 -0.531 7.709 -4.567 1.00 53.33 H new ATOM 0 HB VAL A 78 -0.944 8.109 -7.567 1.00 60.11 H new ATOM 0 HG11 VAL A 78 -0.725 10.516 -7.064 1.00 73.45 H new ATOM 0 HG12 VAL A 78 -2.119 9.786 -6.233 1.00 73.45 H new ATOM 0 HG13 VAL A 78 -0.628 10.138 -5.328 1.00 73.45 H new ATOM 0 HG21 VAL A 78 1.286 9.174 -7.562 1.00 32.11 H new ATOM 0 HG22 VAL A 78 1.489 8.723 -5.852 1.00 32.11 H new ATOM 0 HG23 VAL A 78 1.367 7.458 -7.098 1.00 32.11 H new ATOM 1214 N CYS A 79 -3.001 7.622 -4.284 1.00 55.32 N ATOM 1215 CA CYS A 79 -4.456 7.698 -4.093 1.00 23.42 C ATOM 1216 C CYS A 79 -4.874 9.066 -3.534 1.00 63.41 C ATOM 1217 O CYS A 79 -5.277 9.176 -2.371 1.00 55.33 O ATOM 1218 CB CYS A 79 -4.947 6.573 -3.168 1.00 22.32 C ATOM 1219 SG CYS A 79 -4.790 4.913 -3.871 1.00 14.30 S ATOM 0 H CYS A 79 -2.460 7.809 -3.440 1.00 55.32 H new ATOM 0 HA CYS A 79 -4.922 7.573 -5.070 1.00 23.42 H new ATOM 0 HB2 CYS A 79 -4.386 6.615 -2.234 1.00 22.32 H new ATOM 0 HB3 CYS A 79 -5.993 6.753 -2.919 1.00 22.32 H new ATOM 0 HG CYS A 79 -4.394 4.087 -2.949 1.00 14.30 H new ATOM 1225 N LEU A 80 -4.781 10.101 -4.373 1.00 13.11 N ATOM 1226 CA LEU A 80 -5.114 11.477 -3.963 1.00 52.22 C ATOM 1227 C LEU A 80 -6.524 11.585 -3.336 1.00 1.13 C ATOM 1228 O LEU A 80 -6.666 12.139 -2.245 1.00 21.41 O ATOM 1229 CB LEU A 80 -4.979 12.448 -5.152 1.00 44.32 C ATOM 1230 CG LEU A 80 -3.557 12.592 -5.727 1.00 55.23 C ATOM 1231 CD1 LEU A 80 -3.543 13.572 -6.901 1.00 45.31 C ATOM 1232 CD2 LEU A 80 -2.574 13.034 -4.640 1.00 22.05 C ATOM 0 H LEU A 80 -4.478 10.017 -5.343 1.00 13.11 H new ATOM 0 HA LEU A 80 -4.397 11.757 -3.191 1.00 52.22 H new ATOM 0 HB2 LEU A 80 -5.643 12.115 -5.949 1.00 44.32 H new ATOM 0 HB3 LEU A 80 -5.327 13.432 -4.838 1.00 44.32 H new ATOM 0 HG LEU A 80 -3.240 11.616 -6.095 1.00 55.23 H new ATOM 0 HD11 LEU A 80 -2.529 13.658 -7.291 1.00 45.31 H new ATOM 0 HD12 LEU A 80 -4.204 13.208 -7.687 1.00 45.31 H new ATOM 0 HD13 LEU A 80 -3.886 14.550 -6.563 1.00 45.31 H new ATOM 0 HD21 LEU A 80 -1.576 13.129 -5.069 1.00 22.05 H new ATOM 0 HD22 LEU A 80 -2.888 13.996 -4.235 1.00 22.05 H new ATOM 0 HD23 LEU A 80 -2.557 12.292 -3.842 1.00 22.05 H new ATOM 1244 N PRO A 81 -7.590 11.046 -3.990 1.00 60.51 N ATOM 1245 CA PRO A 81 -8.958 11.079 -3.427 1.00 62.34 C ATOM 1246 C PRO A 81 -9.050 10.485 -2.008 1.00 71.44 C ATOM 1247 O PRO A 81 -9.997 10.754 -1.268 1.00 71.53 O ATOM 1248 CB PRO A 81 -9.775 10.221 -4.407 1.00 22.34 C ATOM 1249 CG PRO A 81 -9.017 10.259 -5.690 1.00 72.34 C ATOM 1250 CD PRO A 81 -7.562 10.396 -5.322 1.00 2.22 C ATOM 0 HA PRO A 81 -9.312 12.105 -3.324 1.00 62.34 H new ATOM 0 HB2 PRO A 81 -9.880 9.199 -4.042 1.00 22.34 H new ATOM 0 HB3 PRO A 81 -10.782 10.619 -4.533 1.00 22.34 H new ATOM 0 HG2 PRO A 81 -9.187 9.351 -6.268 1.00 72.34 H new ATOM 0 HG3 PRO A 81 -9.342 11.096 -6.308 1.00 72.34 H new ATOM 0 HD2 PRO A 81 -7.067 9.426 -5.283 1.00 2.22 H new ATOM 0 HD3 PRO A 81 -7.021 11.000 -6.050 1.00 2.22 H new ATOM 1258 N HIS A 82 -8.068 9.660 -1.641 1.00 33.32 N ATOM 1259 CA HIS A 82 -8.080 8.958 -0.348 1.00 34.44 C ATOM 1260 C HIS A 82 -7.008 9.495 0.617 1.00 54.33 C ATOM 1261 O HIS A 82 -6.910 9.034 1.755 1.00 71.50 O ATOM 1262 CB HIS A 82 -7.864 7.452 -0.571 1.00 70.41 C ATOM 1263 CG HIS A 82 -8.981 6.777 -1.311 1.00 23.12 C ATOM 1264 ND1 HIS A 82 -9.232 5.430 -1.227 1.00 31.14 N ATOM 1265 CD2 HIS A 82 -9.921 7.273 -2.145 1.00 44.54 C ATOM 1266 CE1 HIS A 82 -10.270 5.127 -1.973 1.00 13.03 C ATOM 1267 NE2 HIS A 82 -10.716 6.229 -2.541 1.00 34.24 N ATOM 0 H HIS A 82 -7.252 9.459 -2.219 1.00 33.32 H new ATOM 0 HA HIS A 82 -9.054 9.135 0.109 1.00 34.44 H new ATOM 0 HB2 HIS A 82 -6.936 7.307 -1.124 1.00 70.41 H new ATOM 0 HB3 HIS A 82 -7.738 6.967 0.397 1.00 70.41 H new ATOM 0 HD1 HIS A 82 -8.694 4.766 -0.670 1.00 31.14 H new ATOM 0 HD2 HIS A 82 -10.027 8.305 -2.445 1.00 44.54 H new ATOM 0 HE1 HIS A 82 -10.688 4.139 -2.100 1.00 13.03 H new ATOM 1276 N LYS A 83 -6.216 10.465 0.155 1.00 4.04 N ATOM 1277 CA LYS A 83 -5.103 11.023 0.944 1.00 31.20 C ATOM 1278 C LYS A 83 -4.021 9.961 1.241 1.00 23.43 C ATOM 1279 O LYS A 83 -3.178 10.151 2.121 1.00 41.41 O ATOM 1280 CB LYS A 83 -5.618 11.628 2.266 1.00 21.23 C ATOM 1281 CG LYS A 83 -6.635 12.755 2.088 1.00 24.51 C ATOM 1282 CD LYS A 83 -7.099 13.313 3.433 1.00 2.42 C ATOM 1283 CE LYS A 83 -8.150 14.408 3.265 1.00 0.23 C ATOM 1284 NZ LYS A 83 -8.579 14.974 4.571 1.00 21.13 N ATOM 0 H LYS A 83 -6.322 10.886 -0.768 1.00 4.04 H new ATOM 0 HA LYS A 83 -4.649 11.811 0.343 1.00 31.20 H new ATOM 0 HB2 LYS A 83 -6.071 10.836 2.862 1.00 21.23 H new ATOM 0 HB3 LYS A 83 -4.768 12.007 2.834 1.00 21.23 H new ATOM 0 HG2 LYS A 83 -6.192 13.555 1.495 1.00 24.51 H new ATOM 0 HG3 LYS A 83 -7.496 12.384 1.531 1.00 24.51 H new ATOM 0 HD2 LYS A 83 -7.510 12.505 4.038 1.00 2.42 H new ATOM 0 HD3 LYS A 83 -6.242 13.713 3.975 1.00 2.42 H new ATOM 0 HE2 LYS A 83 -7.747 15.205 2.640 1.00 0.23 H new ATOM 0 HE3 LYS A 83 -9.017 14.002 2.744 1.00 0.23 H new ATOM 0 HZ1 LYS A 83 -9.293 15.714 4.411 1.00 21.13 H new ATOM 0 HZ2 LYS A 83 -8.988 14.220 5.159 1.00 21.13 H new ATOM 0 HZ3 LYS A 83 -7.757 15.385 5.058 1.00 21.13 H new ATOM 1298 N VAL A 84 -4.032 8.859 0.492 1.00 41.10 N ATOM 1299 CA VAL A 84 -3.099 7.744 0.726 1.00 62.11 C ATOM 1300 C VAL A 84 -1.952 7.738 -0.301 1.00 53.02 C ATOM 1301 O VAL A 84 -2.169 7.961 -1.495 1.00 32.21 O ATOM 1302 CB VAL A 84 -3.836 6.380 0.673 1.00 62.30 C ATOM 1303 CG1 VAL A 84 -2.875 5.220 0.941 1.00 51.24 C ATOM 1304 CG2 VAL A 84 -5.000 6.357 1.662 1.00 55.30 C ATOM 0 H VAL A 84 -4.676 8.709 -0.285 1.00 41.10 H new ATOM 0 HA VAL A 84 -2.678 7.890 1.721 1.00 62.11 H new ATOM 0 HB VAL A 84 -4.237 6.255 -0.333 1.00 62.30 H new ATOM 0 HG11 VAL A 84 -3.421 4.278 0.897 1.00 51.24 H new ATOM 0 HG12 VAL A 84 -2.087 5.218 0.187 1.00 51.24 H new ATOM 0 HG13 VAL A 84 -2.431 5.336 1.930 1.00 51.24 H new ATOM 0 HG21 VAL A 84 -5.504 5.392 1.609 1.00 55.30 H new ATOM 0 HG22 VAL A 84 -4.622 6.514 2.672 1.00 55.30 H new ATOM 0 HG23 VAL A 84 -5.706 7.149 1.411 1.00 55.30 H new ATOM 1314 N PHE A 85 -0.735 7.479 0.173 1.00 24.43 N ATOM 1315 CA PHE A 85 0.448 7.417 -0.696 1.00 13.11 C ATOM 1316 C PHE A 85 1.399 6.297 -0.244 1.00 2.21 C ATOM 1317 O PHE A 85 1.728 6.189 0.934 1.00 3.43 O ATOM 1318 CB PHE A 85 1.185 8.765 -0.686 1.00 23.34 C ATOM 1319 CG PHE A 85 2.358 8.827 -1.636 1.00 52.40 C ATOM 1320 CD1 PHE A 85 2.169 9.167 -2.969 1.00 62.55 C ATOM 1321 CD2 PHE A 85 3.647 8.545 -1.199 1.00 22.33 C ATOM 1322 CE1 PHE A 85 3.239 9.227 -3.843 1.00 3.13 C ATOM 1323 CE2 PHE A 85 4.720 8.603 -2.069 1.00 3.11 C ATOM 1324 CZ PHE A 85 4.516 8.945 -3.393 1.00 43.21 C ATOM 0 H PHE A 85 -0.537 7.307 1.159 1.00 24.43 H new ATOM 0 HA PHE A 85 0.115 7.200 -1.711 1.00 13.11 H new ATOM 0 HB2 PHE A 85 0.480 9.556 -0.942 1.00 23.34 H new ATOM 0 HB3 PHE A 85 1.538 8.968 0.325 1.00 23.34 H new ATOM 0 HD1 PHE A 85 1.174 9.387 -3.328 1.00 62.55 H new ATOM 0 HD2 PHE A 85 3.813 8.277 -0.166 1.00 22.33 H new ATOM 0 HE1 PHE A 85 3.077 9.494 -4.877 1.00 3.13 H new ATOM 0 HE2 PHE A 85 5.716 8.381 -1.715 1.00 3.11 H new ATOM 0 HZ PHE A 85 5.352 8.992 -4.075 1.00 43.21 H new ATOM 1334 N VAL A 86 1.840 5.467 -1.186 1.00 45.21 N ATOM 1335 CA VAL A 86 2.738 4.343 -0.878 1.00 55.21 C ATOM 1336 C VAL A 86 3.988 4.371 -1.777 1.00 2.11 C ATOM 1337 O VAL A 86 3.917 4.778 -2.931 1.00 64.31 O ATOM 1338 CB VAL A 86 2.011 2.979 -1.054 1.00 53.10 C ATOM 1339 CG1 VAL A 86 2.919 1.813 -0.663 1.00 64.15 C ATOM 1340 CG2 VAL A 86 0.713 2.947 -0.246 1.00 42.02 C ATOM 0 H VAL A 86 1.593 5.547 -2.172 1.00 45.21 H new ATOM 0 HA VAL A 86 3.043 4.452 0.163 1.00 55.21 H new ATOM 0 HB VAL A 86 1.761 2.869 -2.109 1.00 53.10 H new ATOM 0 HG11 VAL A 86 2.383 0.874 -0.797 1.00 64.15 H new ATOM 0 HG12 VAL A 86 3.808 1.817 -1.294 1.00 64.15 H new ATOM 0 HG13 VAL A 86 3.215 1.916 0.381 1.00 64.15 H new ATOM 0 HG21 VAL A 86 0.222 1.984 -0.384 1.00 42.02 H new ATOM 0 HG22 VAL A 86 0.939 3.091 0.811 1.00 42.02 H new ATOM 0 HG23 VAL A 86 0.052 3.744 -0.588 1.00 42.02 H new ATOM 1350 N GLU A 87 5.131 3.949 -1.240 1.00 33.11 N ATOM 1351 CA GLU A 87 6.360 3.822 -2.037 1.00 43.15 C ATOM 1352 C GLU A 87 7.185 2.611 -1.581 1.00 63.13 C ATOM 1353 O GLU A 87 7.094 2.188 -0.432 1.00 63.10 O ATOM 1354 CB GLU A 87 7.227 5.088 -1.927 1.00 31.42 C ATOM 1355 CG GLU A 87 7.867 5.286 -0.556 1.00 4.55 C ATOM 1356 CD GLU A 87 8.957 6.344 -0.566 1.00 51.53 C ATOM 1357 OE1 GLU A 87 10.062 6.060 -1.084 1.00 45.51 O ATOM 1358 OE2 GLU A 87 8.724 7.461 -0.057 1.00 11.12 O ATOM 0 H GLU A 87 5.237 3.689 -0.259 1.00 33.11 H new ATOM 0 HA GLU A 87 6.058 3.685 -3.075 1.00 43.15 H new ATOM 0 HB2 GLU A 87 8.013 5.044 -2.680 1.00 31.42 H new ATOM 0 HB3 GLU A 87 6.612 5.958 -2.158 1.00 31.42 H new ATOM 0 HG2 GLU A 87 7.098 5.569 0.162 1.00 4.55 H new ATOM 0 HG3 GLU A 87 8.288 4.340 -0.216 1.00 4.55 H new ATOM 1365 N ILE A 88 7.985 2.055 -2.482 1.00 13.21 N ATOM 1366 CA ILE A 88 8.892 0.957 -2.128 1.00 21.45 C ATOM 1367 C ILE A 88 10.358 1.416 -2.172 1.00 23.41 C ATOM 1368 O ILE A 88 10.821 1.962 -3.179 1.00 4.32 O ATOM 1369 CB ILE A 88 8.707 -0.265 -3.066 1.00 0.54 C ATOM 1370 CG1 ILE A 88 7.248 -0.752 -3.027 1.00 14.24 C ATOM 1371 CG2 ILE A 88 9.662 -1.395 -2.672 1.00 64.42 C ATOM 1372 CD1 ILE A 88 6.970 -1.940 -3.927 1.00 50.32 C ATOM 0 H ILE A 88 8.029 2.341 -3.460 1.00 13.21 H new ATOM 0 HA ILE A 88 8.640 0.656 -1.111 1.00 21.45 H new ATOM 0 HB ILE A 88 8.943 0.042 -4.085 1.00 0.54 H new ATOM 0 HG12 ILE A 88 6.992 -1.018 -2.002 1.00 14.24 H new ATOM 0 HG13 ILE A 88 6.593 0.070 -3.316 1.00 14.24 H new ATOM 0 HG21 ILE A 88 9.518 -2.243 -3.341 1.00 64.42 H new ATOM 0 HG22 ILE A 88 10.691 -1.044 -2.748 1.00 64.42 H new ATOM 0 HG23 ILE A 88 9.458 -1.703 -1.646 1.00 64.42 H new ATOM 0 HD11 ILE A 88 5.921 -2.223 -3.843 1.00 50.32 H new ATOM 0 HD12 ILE A 88 7.192 -1.674 -4.960 1.00 50.32 H new ATOM 0 HD13 ILE A 88 7.597 -2.779 -3.626 1.00 50.32 H new ATOM 1384 N LYS A 89 11.076 1.202 -1.075 1.00 41.15 N ATOM 1385 CA LYS A 89 12.508 1.519 -0.998 1.00 32.00 C ATOM 1386 C LYS A 89 13.299 0.292 -0.523 1.00 1.45 C ATOM 1387 O LYS A 89 12.719 -0.751 -0.234 1.00 51.31 O ATOM 1388 CB LYS A 89 12.745 2.710 -0.053 1.00 41.23 C ATOM 1389 CG LYS A 89 12.353 2.438 1.397 1.00 42.05 C ATOM 1390 CD LYS A 89 12.523 3.664 2.302 1.00 22.34 C ATOM 1391 CE LYS A 89 13.984 4.094 2.469 1.00 72.01 C ATOM 1392 NZ LYS A 89 14.509 4.829 1.285 1.00 52.11 N ATOM 0 H LYS A 89 10.691 0.807 -0.217 1.00 41.15 H new ATOM 0 HA LYS A 89 12.857 1.794 -1.993 1.00 32.00 H new ATOM 0 HB2 LYS A 89 13.799 2.985 -0.088 1.00 41.23 H new ATOM 0 HB3 LYS A 89 12.180 3.568 -0.417 1.00 41.23 H new ATOM 0 HG2 LYS A 89 11.315 2.109 1.431 1.00 42.05 H new ATOM 0 HG3 LYS A 89 12.960 1.620 1.785 1.00 42.05 H new ATOM 0 HD2 LYS A 89 11.952 4.495 1.888 1.00 22.34 H new ATOM 0 HD3 LYS A 89 12.101 3.445 3.283 1.00 22.34 H new ATOM 0 HE2 LYS A 89 14.073 4.727 3.352 1.00 72.01 H new ATOM 0 HE3 LYS A 89 14.600 3.212 2.645 1.00 72.01 H new ATOM 0 HZ1 LYS A 89 15.127 4.201 0.733 1.00 52.11 H new ATOM 0 HZ2 LYS A 89 13.715 5.143 0.691 1.00 52.11 H new ATOM 0 HZ3 LYS A 89 15.052 5.657 1.603 1.00 52.11 H new ATOM 1406 N SER A 90 14.618 0.411 -0.447 1.00 11.14 N ATOM 1407 CA SER A 90 15.463 -0.701 0.010 1.00 70.24 C ATOM 1408 C SER A 90 16.015 -0.455 1.413 1.00 65.21 C ATOM 1409 O SER A 90 16.180 0.688 1.843 1.00 42.12 O ATOM 1410 CB SER A 90 16.626 -0.956 -0.951 1.00 5.12 C ATOM 1411 OG SER A 90 17.532 -1.904 -0.397 1.00 53.44 O ATOM 0 H SER A 90 15.130 1.258 -0.693 1.00 11.14 H new ATOM 0 HA SER A 90 14.822 -1.582 0.034 1.00 70.24 H new ATOM 0 HB2 SER A 90 16.244 -1.323 -1.904 1.00 5.12 H new ATOM 0 HB3 SER A 90 17.148 -0.021 -1.155 1.00 5.12 H new ATOM 0 HG SER A 90 18.074 -2.296 -1.113 1.00 53.44 H new ATOM 1417 N THR A 91 16.264 -1.542 2.134 1.00 65.21 N ATOM 1418 CA THR A 91 16.910 -1.477 3.450 1.00 0.01 C ATOM 1419 C THR A 91 18.325 -0.891 3.345 1.00 64.33 C ATOM 1420 O THR A 91 18.860 -0.359 4.318 1.00 72.23 O ATOM 1421 CB THR A 91 17.011 -2.874 4.110 1.00 24.32 C ATOM 1422 OG1 THR A 91 17.773 -3.765 3.277 1.00 5.14 O ATOM 1423 CG2 THR A 91 15.627 -3.465 4.364 1.00 23.53 C ATOM 0 H THR A 91 16.028 -2.487 1.831 1.00 65.21 H new ATOM 0 HA THR A 91 16.285 -0.831 4.066 1.00 0.01 H new ATOM 0 HB THR A 91 17.516 -2.755 5.068 1.00 24.32 H new ATOM 0 HG1 THR A 91 18.234 -4.423 3.838 1.00 5.14 H new ATOM 0 HG21 THR A 91 15.730 -4.446 4.828 1.00 23.53 H new ATOM 0 HG22 THR A 91 15.066 -2.807 5.028 1.00 23.53 H new ATOM 0 HG23 THR A 91 15.095 -3.565 3.418 1.00 23.53 H new ATOM 1431 N GLN A 92 18.930 -0.999 2.161 1.00 74.12 N ATOM 1432 CA GLN A 92 20.259 -0.433 1.916 1.00 12.45 C ATOM 1433 C GLN A 92 20.186 1.101 1.831 1.00 30.33 C ATOM 1434 O GLN A 92 19.102 1.679 1.722 1.00 2.34 O ATOM 1435 CB GLN A 92 20.854 -1.004 0.616 1.00 21.01 C ATOM 1436 CG GLN A 92 20.211 -0.448 -0.653 1.00 1.51 C ATOM 1437 CD GLN A 92 20.703 -1.113 -1.932 1.00 12.31 C ATOM 1438 OE1 GLN A 92 20.786 -0.482 -2.980 1.00 74.44 O ATOM 1439 NE2 GLN A 92 20.998 -2.396 -1.871 1.00 43.54 N ATOM 0 H GLN A 92 18.521 -1.473 1.356 1.00 74.12 H new ATOM 0 HA GLN A 92 20.906 -0.706 2.750 1.00 12.45 H new ATOM 0 HB2 GLN A 92 21.923 -0.792 0.593 1.00 21.01 H new ATOM 0 HB3 GLN A 92 20.744 -2.088 0.623 1.00 21.01 H new ATOM 0 HG2 GLN A 92 19.130 -0.568 -0.584 1.00 1.51 H new ATOM 0 HG3 GLN A 92 20.409 0.622 -0.711 1.00 1.51 H new ATOM 0 HE21 GLN A 92 20.920 -2.896 -0.985 1.00 43.54 H new ATOM 0 HE22 GLN A 92 21.305 -2.889 -2.710 1.00 43.54 H new