USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 915 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 25 HIS : no HD1:sc= -2.73! C(o=-2.8!,f=-3.1!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= -0.0298 USER MOD Set 2.1: A 87 ASN : amide:sc= -4.34! C(o=-6.1!,f=-21!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 144:sc= -1.81! (180deg=-0.918) USER MOD Single : A 19 THR OG1 : rot 10:sc= 0.553 USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.347 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00162 K(o=-0.0016,f=-1.4) USER MOD Single : A 36 THR OG1 : rot -178:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.29! C(o=-1.3!,f=-4.6!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 43:sc= 0.409 USER MOD Single : A 54 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.25) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.2!) USER MOD Single : A 61 TYR OH : rot -26:sc= 0.107 USER MOD Single : A 63 CYS SG : rot 65:sc= -0.673! USER MOD Single : A 64 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.2!) USER MOD Single : A 69 TYR OH : rot 103:sc= 0.118 USER MOD Single : A 71 CYS SG : rot 18:sc= -0.126 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 95 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 96 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.00461 USER MOD Single : A 102 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 175:sc= -2.63! (180deg=-2.88!) USER MOD Single : A 110 ASN : amide:sc= -0.314 K(o=-0.31,f=-7.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.032) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-1.8!) USER MOD Single : A 124 HIS : no HE2:sc= 0.0466 X(o=0.047,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.311 7.266 6.936 1.00 0.00 N ATOM 94 CA ILE A 10 -2.183 6.754 5.578 1.00 0.00 C ATOM 95 C ILE A 10 -3.377 7.162 4.721 1.00 0.00 C ATOM 96 O ILE A 10 -4.516 7.175 5.190 1.00 0.00 O ATOM 97 CB ILE A 10 -2.057 5.219 5.564 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.862 4.776 6.411 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.918 4.712 4.137 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.935 3.330 6.849 1.00 0.00 C ATOM 0 HA ILE A 10 -1.274 7.189 5.162 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.962 4.791 5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.054 4.929 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.797 5.412 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.830 3.626 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.797 5.001 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.027 5.145 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.056 3.086 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.833 3.176 7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.969 2.685 5.971 1.00 0.00 H new ATOM 112 N LEU A 11 -3.109 7.494 3.463 1.00 0.00 N ATOM 113 CA LEU A 11 -4.162 7.902 2.539 1.00 0.00 C ATOM 114 C LEU A 11 -4.210 6.977 1.327 1.00 0.00 C ATOM 115 O LEU A 11 -5.286 6.640 0.833 1.00 0.00 O ATOM 116 CB LEU A 11 -3.938 9.345 2.084 1.00 0.00 C ATOM 117 CG LEU A 11 -4.227 10.428 3.124 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.630 11.758 2.690 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.725 10.563 3.352 1.00 0.00 C ATOM 0 H LEU A 11 -2.172 7.489 3.059 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.116 7.837 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.902 9.447 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.564 9.531 1.211 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.762 10.134 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.846 12.517 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.551 11.653 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.065 12.058 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.912 11.338 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.213 10.833 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.126 9.614 3.709 1.00 0.00 H new ATOM 131 N PHE A 12 -3.038 6.567 0.854 1.00 0.00 N ATOM 132 CA PHE A 12 -2.946 5.680 -0.299 1.00 0.00 C ATOM 133 C PHE A 12 -2.315 4.346 0.089 1.00 0.00 C ATOM 134 O PHE A 12 -1.283 4.307 0.758 1.00 0.00 O ATOM 135 CB PHE A 12 -2.129 6.338 -1.413 1.00 0.00 C ATOM 136 CG PHE A 12 -2.280 5.664 -2.746 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.307 6.021 -3.605 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.395 4.674 -3.141 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.449 5.402 -4.833 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.532 4.051 -4.368 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.560 4.416 -5.215 1.00 0.00 C ATOM 0 H PHE A 12 -2.138 6.835 1.252 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.957 5.492 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.431 7.381 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.076 6.335 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.005 6.792 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.589 4.385 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.254 5.689 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.836 3.280 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.669 3.932 -6.174 1.00 0.00 H new ATOM 151 N ALA A 13 -2.943 3.255 -0.335 1.00 0.00 N ATOM 152 CA ALA A 13 -2.443 1.919 -0.033 1.00 0.00 C ATOM 153 C ALA A 13 -2.999 0.891 -1.013 1.00 0.00 C ATOM 154 O ALA A 13 -4.199 0.616 -1.026 1.00 0.00 O ATOM 155 CB ALA A 13 -2.796 1.534 1.396 1.00 0.00 C ATOM 0 H ALA A 13 -3.799 3.270 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.358 1.931 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.417 0.534 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.346 2.247 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.879 1.545 1.519 1.00 0.00 H new ATOM 161 N VAL A 14 -2.118 0.326 -1.833 1.00 0.00 N ATOM 162 CA VAL A 14 -2.521 -0.673 -2.816 1.00 0.00 C ATOM 163 C VAL A 14 -1.548 -1.847 -2.836 1.00 0.00 C ATOM 164 O VAL A 14 -0.446 -1.764 -2.293 1.00 0.00 O ATOM 165 CB VAL A 14 -2.606 -0.067 -4.229 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.514 1.153 -4.233 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.218 0.290 -4.740 1.00 0.00 C ATOM 0 H VAL A 14 -1.121 0.543 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.509 -1.028 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.035 -0.812 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.562 1.568 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.515 0.863 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.117 1.904 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.297 0.717 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.760 1.017 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.602 -0.608 -4.777 1.00 0.00 H new ATOM 177 N VAL A 15 -1.963 -2.941 -3.468 1.00 0.00 N ATOM 178 CA VAL A 15 -1.128 -4.133 -3.561 1.00 0.00 C ATOM 179 C VAL A 15 -0.814 -4.472 -5.014 1.00 0.00 C ATOM 180 O VAL A 15 -1.712 -4.770 -5.800 1.00 0.00 O ATOM 181 CB VAL A 15 -1.806 -5.346 -2.897 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.884 -6.556 -2.928 1.00 0.00 C ATOM 183 CG2 VAL A 15 -2.214 -5.013 -1.470 1.00 0.00 C ATOM 0 H VAL A 15 -2.872 -3.026 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.200 -3.911 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.707 -5.591 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.380 -7.403 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.646 -6.806 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.036 -6.327 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.691 -5.881 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.330 -4.742 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.913 -4.177 -1.477 1.00 0.00 H new ATOM 193 N ALA A 16 0.467 -4.423 -5.363 1.00 0.00 N ATOM 194 CA ALA A 16 0.900 -4.728 -6.721 1.00 0.00 C ATOM 195 C ALA A 16 2.163 -5.582 -6.716 1.00 0.00 C ATOM 196 O ALA A 16 3.014 -5.444 -5.837 1.00 0.00 O ATOM 197 CB ALA A 16 1.134 -3.442 -7.502 1.00 0.00 C ATOM 0 H ALA A 16 1.223 -4.175 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 16 0.109 -5.298 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.457 -3.685 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.208 -2.868 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.905 -2.851 -7.007 1.00 0.00 H new ATOM 203 N ARG A 17 2.278 -6.466 -7.702 1.00 0.00 N ATOM 204 CA ARG A 17 3.436 -7.345 -7.810 1.00 0.00 C ATOM 205 C ARG A 17 4.011 -7.317 -9.223 1.00 0.00 C ATOM 206 O ARG A 17 3.270 -7.322 -10.205 1.00 0.00 O ATOM 207 CB ARG A 17 3.054 -8.777 -7.431 1.00 0.00 C ATOM 208 CG ARG A 17 1.995 -9.384 -8.338 1.00 0.00 C ATOM 209 CD ARG A 17 2.032 -10.904 -8.297 1.00 0.00 C ATOM 210 NE ARG A 17 1.467 -11.498 -9.505 1.00 0.00 N ATOM 211 CZ ARG A 17 2.091 -11.514 -10.678 1.00 0.00 C ATOM 212 NH1 ARG A 17 3.295 -10.972 -10.799 1.00 0.00 N ATOM 213 NH2 ARG A 17 1.512 -12.074 -11.732 1.00 0.00 N ATOM 0 H ARG A 17 1.583 -6.592 -8.438 1.00 0.00 H new ATOM 0 HA ARG A 17 4.199 -6.985 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.947 -9.402 -7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.690 -8.787 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.009 -9.034 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.151 -9.042 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.062 -11.238 -8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.479 -11.257 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 17 0.542 -11.924 -9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.744 -10.542 -9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.772 -10.985 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.586 -12.493 -11.643 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.992 -12.085 -12.632 1.00 0.00 H new ATOM 227 N GLY A 18 5.337 -7.286 -9.317 1.00 0.00 N ATOM 228 CA GLY A 18 5.988 -7.257 -10.614 1.00 0.00 C ATOM 229 C GLY A 18 5.237 -6.409 -11.621 1.00 0.00 C ATOM 230 O GLY A 18 4.771 -6.912 -12.644 1.00 0.00 O ATOM 0 H GLY A 18 5.972 -7.280 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.000 -6.869 -10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.077 -8.274 -10.995 1.00 0.00 H new ATOM 234 N THR A 19 5.116 -5.117 -11.331 1.00 0.00 N ATOM 235 CA THR A 19 4.414 -4.198 -12.218 1.00 0.00 C ATOM 236 C THR A 19 3.033 -4.732 -12.582 1.00 0.00 C ATOM 237 O THR A 19 2.645 -4.734 -13.751 1.00 0.00 O ATOM 238 CB THR A 19 5.211 -3.944 -13.511 1.00 0.00 C ATOM 239 OG1 THR A 19 5.301 -5.151 -14.276 1.00 0.00 O ATOM 240 CG2 THR A 19 6.609 -3.434 -13.193 1.00 0.00 C ATOM 0 H THR A 19 5.495 -4.684 -10.489 1.00 0.00 H new ATOM 0 HA THR A 19 4.306 -3.258 -11.677 1.00 0.00 H new ATOM 0 HB THR A 19 4.687 -3.185 -14.092 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.709 -5.829 -13.889 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.153 -3.262 -14.121 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.538 -2.500 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.139 -4.174 -12.594 1.00 0.00 H new ATOM 248 N THR A 20 2.294 -5.185 -11.575 1.00 0.00 N ATOM 249 CA THR A 20 0.956 -5.722 -11.789 1.00 0.00 C ATOM 250 C THR A 20 0.077 -5.517 -10.561 1.00 0.00 C ATOM 251 O THR A 20 0.227 -6.212 -9.556 1.00 0.00 O ATOM 252 CB THR A 20 1.002 -7.224 -12.129 1.00 0.00 C ATOM 253 OG1 THR A 20 1.860 -7.446 -13.253 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.392 -7.752 -12.435 1.00 0.00 C ATOM 0 H THR A 20 2.600 -5.191 -10.602 1.00 0.00 H new ATOM 0 HA THR A 20 0.529 -5.179 -12.632 1.00 0.00 H new ATOM 0 HB THR A 20 1.394 -7.758 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.796 -7.389 -12.967 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.335 -8.814 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.034 -7.608 -11.566 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.807 -7.212 -13.286 1.00 0.00 H new ATOM 262 N ILE A 21 -0.840 -4.559 -10.648 1.00 0.00 N ATOM 263 CA ILE A 21 -1.744 -4.264 -9.544 1.00 0.00 C ATOM 264 C ILE A 21 -2.858 -5.302 -9.453 1.00 0.00 C ATOM 265 O ILE A 21 -3.591 -5.527 -10.417 1.00 0.00 O ATOM 266 CB ILE A 21 -2.371 -2.865 -9.687 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.277 -1.805 -9.836 1.00 0.00 C ATOM 268 CG2 ILE A 21 -3.256 -2.556 -8.489 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.748 -0.544 -10.525 1.00 0.00 C ATOM 0 H ILE A 21 -0.976 -3.974 -11.472 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.148 -4.294 -8.632 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.990 -2.850 -10.584 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.894 -1.548 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.446 -2.229 -10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.692 -1.564 -8.605 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.053 -3.297 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.658 -2.586 -7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.921 0.162 -10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.104 -0.788 -11.526 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.559 -0.097 -9.950 1.00 0.00 H new ATOM 281 N LEU A 22 -2.981 -5.930 -8.289 1.00 0.00 N ATOM 282 CA LEU A 22 -4.008 -6.943 -8.072 1.00 0.00 C ATOM 283 C LEU A 22 -5.226 -6.343 -7.376 1.00 0.00 C ATOM 284 O LEU A 22 -6.363 -6.719 -7.659 1.00 0.00 O ATOM 285 CB LEU A 22 -3.446 -8.095 -7.237 1.00 0.00 C ATOM 286 CG LEU A 22 -2.216 -8.801 -7.810 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.347 -9.351 -6.690 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.634 -9.914 -8.759 1.00 0.00 C ATOM 0 H LEU A 22 -2.383 -5.756 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.319 -7.324 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.193 -7.711 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.234 -8.835 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.631 -8.073 -8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.477 -9.850 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.019 -8.533 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.922 -10.065 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.746 -10.405 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.241 -10.642 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.215 -9.493 -9.580 1.00 0.00 H new ATOM 300 N ALA A 23 -4.979 -5.406 -6.466 1.00 0.00 N ATOM 301 CA ALA A 23 -6.055 -4.751 -5.733 1.00 0.00 C ATOM 302 C ALA A 23 -5.626 -3.373 -5.242 1.00 0.00 C ATOM 303 O ALA A 23 -4.716 -3.250 -4.422 1.00 0.00 O ATOM 304 CB ALA A 23 -6.499 -5.615 -4.562 1.00 0.00 C ATOM 0 H ALA A 23 -4.043 -5.084 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.896 -4.620 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.303 -5.113 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.855 -6.576 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.657 -5.776 -3.889 1.00 0.00 H new ATOM 310 N LYS A 24 -6.285 -2.337 -5.751 1.00 0.00 N ATOM 311 CA LYS A 24 -5.972 -0.966 -5.365 1.00 0.00 C ATOM 312 C LYS A 24 -7.178 -0.296 -4.715 1.00 0.00 C ATOM 313 O LYS A 24 -8.320 -0.524 -5.116 1.00 0.00 O ATOM 314 CB LYS A 24 -5.524 -0.160 -6.586 1.00 0.00 C ATOM 315 CG LYS A 24 -6.415 -0.352 -7.801 1.00 0.00 C ATOM 316 CD LYS A 24 -6.162 0.717 -8.852 1.00 0.00 C ATOM 317 CE LYS A 24 -7.414 1.007 -9.665 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.258 2.056 -9.028 1.00 0.00 N ATOM 0 H LYS A 24 -7.040 -2.421 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.159 -0.996 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.503 0.898 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.504 -0.445 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.237 -1.337 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.461 -0.323 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.822 1.632 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.362 0.392 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.130 1.328 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.995 0.091 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.102 2.225 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.550 1.739 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.712 2.937 -8.945 1.00 0.00 H new ATOM 332 N HIS A 25 -6.918 0.534 -3.709 1.00 0.00 N ATOM 333 CA HIS A 25 -7.983 1.240 -3.005 1.00 0.00 C ATOM 334 C HIS A 25 -7.425 2.427 -2.226 1.00 0.00 C ATOM 335 O HIS A 25 -6.752 2.255 -1.210 1.00 0.00 O ATOM 336 CB HIS A 25 -8.712 0.289 -2.055 1.00 0.00 C ATOM 337 CG HIS A 25 -9.809 0.946 -1.275 1.00 0.00 C ATOM 338 ND1 HIS A 25 -9.584 1.674 -0.126 1.00 0.00 N ATOM 339 CD2 HIS A 25 -11.145 0.983 -1.487 1.00 0.00 C ATOM 340 CE1 HIS A 25 -10.735 2.129 0.336 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.698 1.724 -0.472 1.00 0.00 N ATOM 0 H HIS A 25 -5.979 0.734 -3.363 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.689 1.614 -3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.131 -0.536 -2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.991 -0.141 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.677 0.516 -2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.866 2.730 1.224 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.691 1.928 -0.360 1.00 0.00 H new ATOM 350 N ALA A 26 -7.708 3.632 -2.710 1.00 0.00 N ATOM 351 CA ALA A 26 -7.236 4.848 -2.059 1.00 0.00 C ATOM 352 C ALA A 26 -8.365 5.860 -1.902 1.00 0.00 C ATOM 353 O ALA A 26 -9.424 5.723 -2.515 1.00 0.00 O ATOM 354 CB ALA A 26 -6.085 5.455 -2.847 1.00 0.00 C ATOM 0 H ALA A 26 -8.262 3.792 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.880 4.584 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.742 6.362 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.265 4.739 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.422 5.699 -3.854 1.00 0.00 H new ATOM 360 N TRP A 27 -8.132 6.875 -1.078 1.00 0.00 N ATOM 361 CA TRP A 27 -9.131 7.911 -0.841 1.00 0.00 C ATOM 362 C TRP A 27 -9.278 8.816 -2.059 1.00 0.00 C ATOM 363 O TRP A 27 -8.337 8.983 -2.836 1.00 0.00 O ATOM 364 CB TRP A 27 -8.751 8.743 0.385 1.00 0.00 C ATOM 365 CG TRP A 27 -9.115 8.089 1.683 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.567 6.954 2.211 1.00 0.00 C ATOM 367 CD2 TRP A 27 -10.107 8.529 2.617 1.00 0.00 C ATOM 368 NE1 TRP A 27 -9.160 6.662 3.416 1.00 0.00 N ATOM 369 CE2 TRP A 27 -10.107 7.614 3.688 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.994 9.608 2.654 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.960 7.746 4.780 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.841 9.738 3.738 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.819 8.812 4.789 1.00 0.00 C ATOM 0 H TRP A 27 -7.261 7.003 -0.563 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.088 7.422 -0.658 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.677 8.930 0.369 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.245 9.713 0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.783 6.372 1.749 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.932 5.866 4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.017 10.328 1.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.945 7.033 5.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.532 10.567 3.776 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.493 8.942 5.623 1.00 0.00 H new ATOM 384 N CYS A 28 -10.462 9.397 -2.220 1.00 0.00 N ATOM 385 CA CYS A 28 -10.731 10.284 -3.346 1.00 0.00 C ATOM 386 C CYS A 28 -10.061 11.639 -3.142 1.00 0.00 C ATOM 387 O CYS A 28 -10.516 12.454 -2.341 1.00 0.00 O ATOM 388 CB CYS A 28 -12.238 10.470 -3.527 1.00 0.00 C ATOM 389 SG CYS A 28 -12.718 11.056 -5.169 1.00 0.00 S ATOM 0 H CYS A 28 -11.250 9.270 -1.585 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.318 9.826 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.736 9.520 -3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.598 11.178 -2.781 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.011 11.180 -5.225 1.00 0.00 H new ATOM 395 N GLY A 29 -8.974 11.872 -3.872 1.00 0.00 N ATOM 396 CA GLY A 29 -8.257 13.129 -3.755 1.00 0.00 C ATOM 397 C GLY A 29 -6.966 13.135 -4.549 1.00 0.00 C ATOM 398 O GLY A 29 -5.878 13.052 -3.979 1.00 0.00 O ATOM 0 H GLY A 29 -8.577 11.213 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.896 13.942 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.035 13.321 -2.705 1.00 0.00 H new ATOM 402 N GLY A 30 -7.085 13.233 -5.870 1.00 0.00 N ATOM 403 CA GLY A 30 -5.910 13.246 -6.722 1.00 0.00 C ATOM 404 C GLY A 30 -5.573 11.872 -7.266 1.00 0.00 C ATOM 405 O GLY A 30 -6.185 10.877 -6.880 1.00 0.00 O ATOM 0 H GLY A 30 -7.974 13.304 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.075 13.932 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.060 13.628 -6.157 1.00 0.00 H new ATOM 409 N ASN A 31 -4.598 11.817 -8.168 1.00 0.00 N ATOM 410 CA ASN A 31 -4.183 10.555 -8.769 1.00 0.00 C ATOM 411 C ASN A 31 -2.797 10.148 -8.277 1.00 0.00 C ATOM 412 O ASN A 31 -1.799 10.795 -8.596 1.00 0.00 O ATOM 413 CB ASN A 31 -4.182 10.669 -10.295 1.00 0.00 C ATOM 414 CG ASN A 31 -4.378 9.327 -10.975 1.00 0.00 C ATOM 415 OD1 ASN A 31 -3.843 8.311 -10.532 1.00 0.00 O ATOM 416 ND2 ASN A 31 -5.149 9.319 -12.056 1.00 0.00 N ATOM 0 H ASN A 31 -4.081 12.632 -8.499 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.896 9.787 -8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.974 11.350 -10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.239 11.105 -10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.318 8.446 -12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.572 10.186 -12.387 1.00 0.00 H new ATOM 423 N PHE A 32 -2.744 9.072 -7.499 1.00 0.00 N ATOM 424 CA PHE A 32 -1.481 8.579 -6.962 1.00 0.00 C ATOM 425 C PHE A 32 -1.016 7.338 -7.719 1.00 0.00 C ATOM 426 O PHE A 32 0.173 7.174 -7.994 1.00 0.00 O ATOM 427 CB PHE A 32 -1.626 8.257 -5.473 1.00 0.00 C ATOM 428 CG PHE A 32 -1.365 9.434 -4.577 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.251 10.235 -4.771 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.233 9.739 -3.542 1.00 0.00 C ATOM 431 CE1 PHE A 32 -0.008 11.318 -3.948 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.996 10.822 -2.715 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.882 11.613 -2.919 1.00 0.00 C ATOM 0 H PHE A 32 -3.561 8.525 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.732 9.361 -7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.633 7.885 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.936 7.454 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.435 10.010 -5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.105 9.124 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.865 11.934 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.681 11.049 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.695 12.460 -2.276 1.00 0.00 H new ATOM 443 N LEU A 33 -1.962 6.467 -8.053 1.00 0.00 N ATOM 444 CA LEU A 33 -1.651 5.240 -8.778 1.00 0.00 C ATOM 445 C LEU A 33 -0.543 5.477 -9.799 1.00 0.00 C ATOM 446 O LEU A 33 0.252 4.582 -10.084 1.00 0.00 O ATOM 447 CB LEU A 33 -2.901 4.708 -9.480 1.00 0.00 C ATOM 448 CG LEU A 33 -2.878 3.228 -9.862 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.886 2.354 -8.618 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.059 2.890 -10.761 1.00 0.00 C ATOM 0 H LEU A 33 -2.951 6.588 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.304 4.500 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.759 4.882 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.062 5.294 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.959 3.030 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.869 1.304 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.008 2.576 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.787 2.555 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.026 1.832 -11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.989 3.105 -10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.008 3.490 -11.669 1.00 0.00 H new ATOM 462 N GLU A 34 -0.496 6.689 -10.343 1.00 0.00 N ATOM 463 CA GLU A 34 0.516 7.043 -11.332 1.00 0.00 C ATOM 464 C GLU A 34 1.919 6.892 -10.751 1.00 0.00 C ATOM 465 O GLU A 34 2.680 6.014 -11.159 1.00 0.00 O ATOM 466 CB GLU A 34 0.306 8.478 -11.818 1.00 0.00 C ATOM 467 CG GLU A 34 -0.758 8.606 -12.895 1.00 0.00 C ATOM 468 CD GLU A 34 -0.558 9.828 -13.770 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.457 9.881 -14.495 1.00 0.00 O ATOM 470 OE2 GLU A 34 -1.419 10.733 -13.731 1.00 0.00 O ATOM 0 H GLU A 34 -1.146 7.442 -10.116 1.00 0.00 H new ATOM 0 HA GLU A 34 0.415 6.362 -12.177 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.029 9.103 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.250 8.864 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.748 7.712 -13.518 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.740 8.657 -12.426 1.00 0.00 H new ATOM 477 N VAL A 35 2.255 7.754 -9.798 1.00 0.00 N ATOM 478 CA VAL A 35 3.566 7.717 -9.160 1.00 0.00 C ATOM 479 C VAL A 35 3.840 6.349 -8.546 1.00 0.00 C ATOM 480 O VAL A 35 4.979 5.883 -8.523 1.00 0.00 O ATOM 481 CB VAL A 35 3.689 8.793 -8.066 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.567 8.651 -7.048 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.048 8.711 -7.388 1.00 0.00 C ATOM 0 H VAL A 35 1.637 8.487 -9.450 1.00 0.00 H new ATOM 0 HA VAL A 35 4.302 7.916 -9.939 1.00 0.00 H new ATOM 0 HB VAL A 35 3.601 9.773 -8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.671 9.420 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.605 8.764 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.620 7.667 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.117 9.479 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.169 7.728 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.834 8.867 -8.127 1.00 0.00 H new ATOM 493 N THR A 36 2.787 5.709 -8.048 1.00 0.00 N ATOM 494 CA THR A 36 2.913 4.394 -7.432 1.00 0.00 C ATOM 495 C THR A 36 3.423 3.364 -8.433 1.00 0.00 C ATOM 496 O THR A 36 4.400 2.662 -8.172 1.00 0.00 O ATOM 497 CB THR A 36 1.567 3.911 -6.857 1.00 0.00 C ATOM 498 OG1 THR A 36 1.165 4.758 -5.775 1.00 0.00 O ATOM 499 CG2 THR A 36 1.671 2.473 -6.372 1.00 0.00 C ATOM 0 H THR A 36 1.837 6.080 -8.059 1.00 0.00 H new ATOM 0 HA THR A 36 3.632 4.494 -6.619 1.00 0.00 H new ATOM 0 HB THR A 36 0.820 3.957 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.327 4.424 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.709 2.154 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.949 1.827 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.430 2.406 -5.592 1.00 0.00 H new ATOM 507 N GLU A 37 2.757 3.280 -9.581 1.00 0.00 N ATOM 508 CA GLU A 37 3.144 2.335 -10.621 1.00 0.00 C ATOM 509 C GLU A 37 4.594 2.555 -11.043 1.00 0.00 C ATOM 510 O GLU A 37 5.393 1.619 -11.065 1.00 0.00 O ATOM 511 CB GLU A 37 2.222 2.472 -11.835 1.00 0.00 C ATOM 512 CG GLU A 37 0.886 1.769 -11.666 1.00 0.00 C ATOM 513 CD GLU A 37 0.311 1.284 -12.982 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.203 2.123 -13.751 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.376 0.065 -13.244 1.00 0.00 O ATOM 0 H GLU A 37 1.947 3.855 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 37 3.050 1.328 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.045 3.530 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.727 2.068 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.009 0.920 -10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.178 2.450 -11.194 1.00 0.00 H new ATOM 522 N GLN A 38 4.925 3.798 -11.377 1.00 0.00 N ATOM 523 CA GLN A 38 6.278 4.140 -11.800 1.00 0.00 C ATOM 524 C GLN A 38 7.310 3.596 -10.817 1.00 0.00 C ATOM 525 O GLN A 38 8.328 3.034 -11.220 1.00 0.00 O ATOM 526 CB GLN A 38 6.427 5.658 -11.925 1.00 0.00 C ATOM 527 CG GLN A 38 5.455 6.285 -12.910 1.00 0.00 C ATOM 528 CD GLN A 38 5.995 7.558 -13.533 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.647 8.361 -12.866 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.725 7.748 -14.819 1.00 0.00 N ATOM 0 H GLN A 38 4.276 4.584 -11.363 1.00 0.00 H new ATOM 0 HA GLN A 38 6.454 3.682 -12.774 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.281 6.111 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.446 5.890 -12.235 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.229 5.567 -13.698 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.517 6.504 -12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.181 7.056 -15.334 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.062 8.586 -15.292 1.00 0.00 H new ATOM 539 N ILE A 39 7.039 3.766 -9.527 1.00 0.00 N ATOM 540 CA ILE A 39 7.943 3.290 -8.488 1.00 0.00 C ATOM 541 C ILE A 39 8.032 1.768 -8.491 1.00 0.00 C ATOM 542 O ILE A 39 9.112 1.198 -8.333 1.00 0.00 O ATOM 543 CB ILE A 39 7.496 3.765 -7.093 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.641 5.283 -6.976 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.305 3.065 -6.011 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.078 5.757 -6.999 1.00 0.00 C ATOM 0 H ILE A 39 6.201 4.230 -9.177 1.00 0.00 H new ATOM 0 HA ILE A 39 8.925 3.709 -8.708 1.00 0.00 H new ATOM 0 HB ILE A 39 6.445 3.508 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.098 5.756 -7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.173 5.614 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.978 3.411 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.155 1.988 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.363 3.294 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.104 6.843 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.621 5.313 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.545 5.457 -7.937 1.00 0.00 H new ATOM 558 N LEU A 40 6.890 1.115 -8.673 1.00 0.00 N ATOM 559 CA LEU A 40 6.838 -0.343 -8.698 1.00 0.00 C ATOM 560 C LEU A 40 7.830 -0.905 -9.711 1.00 0.00 C ATOM 561 O LEU A 40 8.561 -1.851 -9.419 1.00 0.00 O ATOM 562 CB LEU A 40 5.423 -0.817 -9.036 1.00 0.00 C ATOM 563 CG LEU A 40 4.413 -0.786 -7.889 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.035 -1.201 -8.380 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.870 -1.688 -6.752 1.00 0.00 C ATOM 0 H LEU A 40 5.988 1.571 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 40 7.110 -0.709 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.039 -0.200 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.484 -1.838 -9.413 1.00 0.00 H new ATOM 0 HG LEU A 40 4.350 0.235 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.329 -1.173 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.705 -0.515 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.082 -2.213 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.139 -1.654 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.962 -2.712 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.836 -1.346 -6.382 1.00 0.00 H new ATOM 577 N ALA A 41 7.851 -0.315 -10.902 1.00 0.00 N ATOM 578 CA ALA A 41 8.757 -0.755 -11.956 1.00 0.00 C ATOM 579 C ALA A 41 10.212 -0.562 -11.545 1.00 0.00 C ATOM 580 O ALA A 41 11.128 -1.003 -12.239 1.00 0.00 O ATOM 581 CB ALA A 41 8.467 -0.004 -13.247 1.00 0.00 C ATOM 0 H ALA A 41 7.251 0.468 -11.161 1.00 0.00 H new ATOM 0 HA ALA A 41 8.592 -1.820 -12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.150 -0.342 -14.026 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.440 -0.196 -13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.603 1.065 -13.084 1.00 0.00 H new ATOM 587 N LYS A 42 10.420 0.100 -10.411 1.00 0.00 N ATOM 588 CA LYS A 42 11.764 0.351 -9.906 1.00 0.00 C ATOM 589 C LYS A 42 12.075 -0.551 -8.716 1.00 0.00 C ATOM 590 O LYS A 42 13.238 -0.834 -8.428 1.00 0.00 O ATOM 591 CB LYS A 42 11.913 1.819 -9.501 1.00 0.00 C ATOM 592 CG LYS A 42 12.149 2.753 -10.674 1.00 0.00 C ATOM 593 CD LYS A 42 12.032 4.211 -10.259 1.00 0.00 C ATOM 594 CE LYS A 42 11.978 5.132 -11.469 1.00 0.00 C ATOM 595 NZ LYS A 42 13.326 5.345 -12.065 1.00 0.00 N ATOM 0 H LYS A 42 9.673 0.472 -9.824 1.00 0.00 H new ATOM 0 HA LYS A 42 12.473 0.127 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.014 2.134 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.743 1.911 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.139 2.571 -11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.427 2.539 -11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.135 4.348 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.882 4.481 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.312 4.706 -12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.555 6.093 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.246 5.978 -12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.955 5.775 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.720 4.432 -12.369 1.00 0.00 H new ATOM 609 N ILE A 43 11.030 -0.998 -8.029 1.00 0.00 N ATOM 610 CA ILE A 43 11.192 -1.870 -6.872 1.00 0.00 C ATOM 611 C ILE A 43 11.415 -3.316 -7.300 1.00 0.00 C ATOM 612 O ILE A 43 10.655 -3.880 -8.088 1.00 0.00 O ATOM 613 CB ILE A 43 9.967 -1.804 -5.941 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.792 -0.387 -5.392 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.112 -2.804 -4.804 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.525 -0.203 -4.587 1.00 0.00 C ATOM 0 H ILE A 43 10.061 -0.771 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 43 12.069 -1.515 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 43 9.078 -2.063 -6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.650 -0.140 -4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.790 0.318 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.239 -2.746 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.193 -3.811 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.008 -2.573 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.467 0.825 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.660 -0.418 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.533 -0.883 -3.735 1.00 0.00 H new ATOM 628 N PRO A 44 12.480 -3.933 -6.769 1.00 0.00 N ATOM 629 CA PRO A 44 12.827 -5.323 -7.080 1.00 0.00 C ATOM 630 C PRO A 44 11.833 -6.315 -6.485 1.00 0.00 C ATOM 631 O PRO A 44 10.929 -5.933 -5.742 1.00 0.00 O ATOM 632 CB PRO A 44 14.205 -5.498 -6.438 1.00 0.00 C ATOM 633 CG PRO A 44 14.242 -4.491 -5.340 1.00 0.00 C ATOM 634 CD PRO A 44 13.429 -3.322 -5.824 1.00 0.00 C ATOM 0 HA PRO A 44 12.814 -5.516 -8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.337 -6.509 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.003 -5.326 -7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.826 -4.901 -4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.266 -4.190 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.914 -2.824 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.053 -2.572 -6.310 1.00 0.00 H new ATOM 642 N SER A 45 12.007 -7.591 -6.815 1.00 0.00 N ATOM 643 CA SER A 45 11.123 -8.637 -6.315 1.00 0.00 C ATOM 644 C SER A 45 11.658 -9.225 -5.013 1.00 0.00 C ATOM 645 O SER A 45 10.899 -9.748 -4.198 1.00 0.00 O ATOM 646 CB SER A 45 10.966 -9.744 -7.360 1.00 0.00 C ATOM 647 OG SER A 45 12.193 -10.420 -7.575 1.00 0.00 O ATOM 0 H SER A 45 12.752 -7.925 -7.426 1.00 0.00 H new ATOM 0 HA SER A 45 10.148 -8.191 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.208 -10.455 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.614 -9.315 -8.298 1.00 0.00 H new ATOM 0 HG SER A 45 12.066 -11.123 -8.245 1.00 0.00 H new ATOM 653 N GLU A 46 12.971 -9.134 -4.826 1.00 0.00 N ATOM 654 CA GLU A 46 13.609 -9.658 -3.623 1.00 0.00 C ATOM 655 C GLU A 46 12.828 -9.256 -2.375 1.00 0.00 C ATOM 656 O GLU A 46 12.103 -8.262 -2.376 1.00 0.00 O ATOM 657 CB GLU A 46 15.049 -9.152 -3.522 1.00 0.00 C ATOM 658 CG GLU A 46 15.972 -9.725 -4.584 1.00 0.00 C ATOM 659 CD GLU A 46 17.423 -9.344 -4.364 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.765 -8.162 -4.573 1.00 0.00 O ATOM 661 OE2 GLU A 46 18.217 -10.230 -3.981 1.00 0.00 O ATOM 0 H GLU A 46 13.613 -8.703 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 46 13.618 -10.746 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.049 -8.065 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.444 -9.400 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.883 -10.811 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.653 -9.374 -5.565 1.00 0.00 H new ATOM 668 N ASN A 47 12.982 -10.038 -1.311 1.00 0.00 N ATOM 669 CA ASN A 47 12.291 -9.766 -0.056 1.00 0.00 C ATOM 670 C ASN A 47 13.073 -8.766 0.790 1.00 0.00 C ATOM 671 O ASN A 47 13.820 -9.149 1.690 1.00 0.00 O ATOM 672 CB ASN A 47 12.084 -11.063 0.728 1.00 0.00 C ATOM 673 CG ASN A 47 11.575 -10.813 2.135 1.00 0.00 C ATOM 674 OD1 ASN A 47 11.264 -9.680 2.502 1.00 0.00 O ATOM 675 ND2 ASN A 47 11.487 -11.874 2.929 1.00 0.00 N ATOM 0 H ASN A 47 13.579 -10.865 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 47 11.319 -9.333 -0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.375 -11.697 0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.026 -11.609 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.150 -11.768 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.756 -12.795 2.582 1.00 0.00 H new ATOM 682 N ASN A 48 12.896 -7.482 0.494 1.00 0.00 N ATOM 683 CA ASN A 48 13.586 -6.427 1.227 1.00 0.00 C ATOM 684 C ASN A 48 12.824 -5.109 1.128 1.00 0.00 C ATOM 685 O ASN A 48 12.324 -4.745 0.063 1.00 0.00 O ATOM 686 CB ASN A 48 15.007 -6.248 0.690 1.00 0.00 C ATOM 687 CG ASN A 48 15.725 -5.077 1.331 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.182 -5.163 2.471 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.827 -3.973 0.600 1.00 0.00 N ATOM 0 H ASN A 48 12.281 -7.148 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 48 13.636 -6.721 2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.577 -7.160 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.968 -6.100 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.299 -3.152 0.979 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.433 -3.946 -0.341 1.00 0.00 H new ATOM 696 N LYS A 49 12.738 -4.396 2.246 1.00 0.00 N ATOM 697 CA LYS A 49 12.040 -3.117 2.287 1.00 0.00 C ATOM 698 C LYS A 49 13.028 -1.955 2.253 1.00 0.00 C ATOM 699 O LYS A 49 14.224 -2.138 2.482 1.00 0.00 O ATOM 700 CB LYS A 49 11.173 -3.026 3.545 1.00 0.00 C ATOM 701 CG LYS A 49 11.957 -3.176 4.837 1.00 0.00 C ATOM 702 CD LYS A 49 11.200 -2.599 6.020 1.00 0.00 C ATOM 703 CE LYS A 49 11.672 -3.203 7.333 1.00 0.00 C ATOM 704 NZ LYS A 49 13.075 -2.814 7.650 1.00 0.00 N ATOM 0 H LYS A 49 13.144 -4.683 3.137 1.00 0.00 H new ATOM 0 HA LYS A 49 11.401 -3.053 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.658 -2.065 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.406 -3.799 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.165 -4.231 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.919 -2.673 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.335 -1.518 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.133 -2.784 5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.014 -2.879 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.599 -4.289 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.359 -3.246 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.707 -3.146 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.140 -1.779 7.726 1.00 0.00 H new ATOM 718 N LEU A 50 12.521 -0.761 1.967 1.00 0.00 N ATOM 719 CA LEU A 50 13.359 0.431 1.905 1.00 0.00 C ATOM 720 C LEU A 50 12.509 1.697 1.943 1.00 0.00 C ATOM 721 O LEU A 50 11.454 1.770 1.311 1.00 0.00 O ATOM 722 CB LEU A 50 14.211 0.414 0.635 1.00 0.00 C ATOM 723 CG LEU A 50 14.925 1.721 0.287 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.218 1.440 -0.463 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.015 2.623 -0.534 1.00 0.00 C ATOM 0 H LEU A 50 11.534 -0.593 1.774 1.00 0.00 H new ATOM 0 HA LEU A 50 14.015 0.429 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.961 -0.371 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.572 0.138 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 50 15.173 2.236 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.712 2.382 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.875 0.833 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.995 0.903 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.539 3.548 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.736 2.115 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.117 2.852 0.039 1.00 0.00 H new ATOM 737 N THR A 51 12.975 2.695 2.688 1.00 0.00 N ATOM 738 CA THR A 51 12.259 3.958 2.808 1.00 0.00 C ATOM 739 C THR A 51 12.585 4.888 1.645 1.00 0.00 C ATOM 740 O THR A 51 13.696 5.410 1.548 1.00 0.00 O ATOM 741 CB THR A 51 12.596 4.672 4.131 1.00 0.00 C ATOM 742 OG1 THR A 51 12.454 3.763 5.228 1.00 0.00 O ATOM 743 CG2 THR A 51 11.690 5.875 4.343 1.00 0.00 C ATOM 0 H THR A 51 13.846 2.652 3.217 1.00 0.00 H new ATOM 0 HA THR A 51 11.195 3.720 2.793 1.00 0.00 H new ATOM 0 HB THR A 51 13.628 5.019 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.672 4.224 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.947 6.363 5.283 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.822 6.579 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.651 5.547 4.377 1.00 0.00 H new ATOM 751 N TYR A 52 11.611 5.091 0.765 1.00 0.00 N ATOM 752 CA TYR A 52 11.796 5.957 -0.394 1.00 0.00 C ATOM 753 C TYR A 52 11.113 7.305 -0.181 1.00 0.00 C ATOM 754 O TYR A 52 9.893 7.379 -0.037 1.00 0.00 O ATOM 755 CB TYR A 52 11.243 5.286 -1.652 1.00 0.00 C ATOM 756 CG TYR A 52 11.966 5.686 -2.919 1.00 0.00 C ATOM 757 CD1 TYR A 52 12.162 7.024 -3.237 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.452 4.726 -3.797 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.820 7.394 -4.393 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.113 5.087 -4.955 1.00 0.00 C ATOM 761 CZ TYR A 52 13.295 6.422 -5.249 1.00 0.00 C ATOM 762 OH TYR A 52 13.952 6.786 -6.402 1.00 0.00 O ATOM 0 H TYR A 52 10.685 4.668 0.832 1.00 0.00 H new ATOM 0 HA TYR A 52 12.865 6.127 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.305 4.204 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.187 5.535 -1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.793 7.788 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.311 3.679 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.962 8.439 -4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.485 4.328 -5.627 1.00 0.00 H new ATOM 0 HH TYR A 52 14.223 5.982 -6.892 1.00 0.00 H new ATOM 772 N SER A 53 11.910 8.368 -0.163 1.00 0.00 N ATOM 773 CA SER A 53 11.384 9.714 0.036 1.00 0.00 C ATOM 774 C SER A 53 11.082 10.382 -1.303 1.00 0.00 C ATOM 775 O SER A 53 11.992 10.719 -2.061 1.00 0.00 O ATOM 776 CB SER A 53 12.381 10.562 0.828 1.00 0.00 C ATOM 777 OG SER A 53 13.660 10.548 0.219 1.00 0.00 O ATOM 0 H SER A 53 12.922 8.324 -0.284 1.00 0.00 H new ATOM 0 HA SER A 53 10.455 9.635 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.018 11.588 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.456 10.183 1.847 1.00 0.00 H new ATOM 0 HG SER A 53 13.562 10.646 -0.751 1.00 0.00 H new ATOM 783 N HIS A 54 9.797 10.570 -1.586 1.00 0.00 N ATOM 784 CA HIS A 54 9.373 11.198 -2.833 1.00 0.00 C ATOM 785 C HIS A 54 8.554 12.455 -2.557 1.00 0.00 C ATOM 786 O HIS A 54 7.463 12.386 -1.994 1.00 0.00 O ATOM 787 CB HIS A 54 8.554 10.215 -3.671 1.00 0.00 C ATOM 788 CG HIS A 54 7.937 10.835 -4.887 1.00 0.00 C ATOM 789 ND1 HIS A 54 6.666 11.368 -4.897 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.425 11.006 -6.138 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.398 11.839 -6.102 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.450 11.632 -6.874 1.00 0.00 N ATOM 0 H HIS A 54 9.032 10.297 -0.970 1.00 0.00 H new ATOM 0 HA HIS A 54 10.266 11.482 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.196 9.390 -3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.766 9.790 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.400 10.706 -6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.476 12.313 -6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.525 11.895 -7.857 1.00 0.00 H new ATOM 801 N GLY A 55 9.090 13.604 -2.956 1.00 0.00 N ATOM 802 CA GLY A 55 8.396 14.861 -2.742 1.00 0.00 C ATOM 803 C GLY A 55 8.061 15.097 -1.283 1.00 0.00 C ATOM 804 O GLY A 55 8.825 14.719 -0.395 1.00 0.00 O ATOM 0 H GLY A 55 9.993 13.687 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.015 15.681 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.477 14.870 -3.329 1.00 0.00 H new ATOM 808 N ASN A 56 6.917 15.725 -1.034 1.00 0.00 N ATOM 809 CA ASN A 56 6.484 16.014 0.329 1.00 0.00 C ATOM 810 C ASN A 56 5.688 14.847 0.905 1.00 0.00 C ATOM 811 O ASN A 56 4.779 15.040 1.713 1.00 0.00 O ATOM 812 CB ASN A 56 5.636 17.287 0.358 1.00 0.00 C ATOM 813 CG ASN A 56 6.476 18.543 0.226 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.823 19.179 1.221 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.805 18.907 -1.008 1.00 0.00 N ATOM 0 H ASN A 56 6.273 16.044 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 56 7.373 16.163 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.907 17.254 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.074 17.325 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.367 19.744 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.495 18.349 -1.804 1.00 0.00 H new ATOM 822 N TYR A 57 6.037 13.636 0.485 1.00 0.00 N ATOM 823 CA TYR A 57 5.355 12.437 0.958 1.00 0.00 C ATOM 824 C TYR A 57 6.328 11.268 1.079 1.00 0.00 C ATOM 825 O TYR A 57 7.352 11.223 0.395 1.00 0.00 O ATOM 826 CB TYR A 57 4.212 12.068 0.010 1.00 0.00 C ATOM 827 CG TYR A 57 2.968 12.903 0.208 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.827 14.135 -0.419 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.932 12.461 1.023 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.692 14.902 -0.240 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.793 13.220 1.206 1.00 0.00 C ATOM 832 CZ TYR A 57 0.678 14.440 0.572 1.00 0.00 C ATOM 833 OH TYR A 57 -0.455 15.201 0.753 1.00 0.00 O ATOM 0 H TYR A 57 6.788 13.459 -0.182 1.00 0.00 H new ATOM 0 HA TYR A 57 4.946 12.648 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.554 12.179 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.960 11.017 0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.618 14.499 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.020 11.507 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.599 15.858 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.003 12.861 1.842 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.072 14.732 1.353 1.00 0.00 H new ATOM 843 N LEU A 58 6.001 10.323 1.953 1.00 0.00 N ATOM 844 CA LEU A 58 6.844 9.151 2.165 1.00 0.00 C ATOM 845 C LEU A 58 6.289 7.939 1.424 1.00 0.00 C ATOM 846 O LEU A 58 5.080 7.707 1.411 1.00 0.00 O ATOM 847 CB LEU A 58 6.957 8.843 3.659 1.00 0.00 C ATOM 848 CG LEU A 58 7.891 9.748 4.462 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.695 9.528 5.954 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.341 9.501 4.071 1.00 0.00 C ATOM 0 H LEU A 58 5.158 10.345 2.527 1.00 0.00 H new ATOM 0 HA LEU A 58 7.836 9.371 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.961 8.902 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.295 7.813 3.773 1.00 0.00 H new ATOM 0 HG LEU A 58 7.646 10.785 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.368 10.181 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.664 9.757 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.912 8.489 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.991 10.154 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.599 8.461 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.472 9.711 3.009 1.00 0.00 H new ATOM 862 N PHE A 59 7.180 7.168 0.810 1.00 0.00 N ATOM 863 CA PHE A 59 6.779 5.978 0.068 1.00 0.00 C ATOM 864 C PHE A 59 7.396 4.723 0.678 1.00 0.00 C ATOM 865 O PHE A 59 8.526 4.354 0.356 1.00 0.00 O ATOM 866 CB PHE A 59 7.193 6.103 -1.400 1.00 0.00 C ATOM 867 CG PHE A 59 6.313 7.024 -2.195 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.190 8.359 -1.845 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.610 6.555 -3.293 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.380 9.208 -2.575 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.799 7.400 -4.027 1.00 0.00 C ATOM 872 CZ PHE A 59 4.685 8.729 -3.668 1.00 0.00 C ATOM 0 H PHE A 59 8.184 7.346 0.811 1.00 0.00 H new ATOM 0 HA PHE A 59 5.694 5.892 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.221 6.463 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.179 5.114 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.733 8.740 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.697 5.517 -3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.291 10.246 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.255 7.022 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.054 9.392 -4.241 1.00 0.00 H new ATOM 882 N HIS A 60 6.647 4.071 1.561 1.00 0.00 N ATOM 883 CA HIS A 60 7.119 2.857 2.217 1.00 0.00 C ATOM 884 C HIS A 60 6.589 1.615 1.507 1.00 0.00 C ATOM 885 O HIS A 60 5.384 1.474 1.298 1.00 0.00 O ATOM 886 CB HIS A 60 6.688 2.844 3.684 1.00 0.00 C ATOM 887 CG HIS A 60 6.891 4.154 4.380 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.138 4.669 4.666 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.997 5.057 4.846 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.002 5.831 5.280 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.713 6.090 5.401 1.00 0.00 N ATOM 0 H HIS A 60 5.710 4.363 1.839 1.00 0.00 H new ATOM 0 HA HIS A 60 8.208 2.846 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.634 2.571 3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.247 2.071 4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.921 4.980 4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.808 6.462 5.624 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.314 6.922 5.836 1.00 0.00 H new ATOM 900 N TYR A 61 7.497 0.718 1.140 1.00 0.00 N ATOM 901 CA TYR A 61 7.122 -0.511 0.451 1.00 0.00 C ATOM 902 C TYR A 61 7.737 -1.729 1.134 1.00 0.00 C ATOM 903 O TYR A 61 8.908 -1.715 1.515 1.00 0.00 O ATOM 904 CB TYR A 61 7.563 -0.456 -1.013 1.00 0.00 C ATOM 905 CG TYR A 61 8.971 -0.959 -1.239 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.278 -2.308 -1.107 1.00 0.00 C ATOM 907 CD2 TYR A 61 9.994 -0.086 -1.588 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.563 -2.772 -1.312 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.282 -0.541 -1.796 1.00 0.00 C ATOM 910 CZ TYR A 61 11.561 -1.885 -1.657 1.00 0.00 C ATOM 911 OH TYR A 61 12.842 -2.343 -1.864 1.00 0.00 O ATOM 0 H TYR A 61 8.498 0.819 1.308 1.00 0.00 H new ATOM 0 HA TYR A 61 6.037 -0.603 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.873 -1.048 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.492 0.572 -1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.498 -3.006 -0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.779 0.967 -1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.785 -3.823 -1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.066 0.151 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 61 12.981 -3.168 -1.354 1.00 0.00 H new ATOM 921 N ILE A 62 6.939 -2.780 1.285 1.00 0.00 N ATOM 922 CA ILE A 62 7.405 -4.007 1.920 1.00 0.00 C ATOM 923 C ILE A 62 7.289 -5.195 0.971 1.00 0.00 C ATOM 924 O ILE A 62 6.194 -5.704 0.728 1.00 0.00 O ATOM 925 CB ILE A 62 6.613 -4.311 3.205 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.787 -3.178 4.218 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.061 -5.637 3.802 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.896 -3.311 5.433 1.00 0.00 C ATOM 0 H ILE A 62 5.967 -2.807 0.977 1.00 0.00 H new ATOM 0 HA ILE A 62 8.453 -3.852 2.177 1.00 0.00 H new ATOM 0 HB ILE A 62 5.555 -4.387 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.827 -3.148 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.579 -2.227 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.492 -5.838 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.889 -6.437 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.123 -5.587 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.073 -2.473 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.852 -3.310 5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.120 -4.245 5.948 1.00 0.00 H new ATOM 940 N CYS A 63 8.425 -5.634 0.440 1.00 0.00 N ATOM 941 CA CYS A 63 8.451 -6.764 -0.482 1.00 0.00 C ATOM 942 C CYS A 63 8.342 -8.084 0.274 1.00 0.00 C ATOM 943 O CYS A 63 9.091 -8.334 1.217 1.00 0.00 O ATOM 944 CB CYS A 63 9.736 -6.742 -1.311 1.00 0.00 C ATOM 945 SG CYS A 63 9.682 -5.620 -2.728 1.00 0.00 S ATOM 0 H CYS A 63 9.339 -5.225 0.632 1.00 0.00 H new ATOM 0 HA CYS A 63 7.594 -6.677 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.567 -6.456 -0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.943 -7.751 -1.668 1.00 0.00 H new ATOM 0 HG CYS A 63 9.581 -4.394 -2.307 1.00 0.00 H new ATOM 951 N GLN A 64 7.402 -8.925 -0.147 1.00 0.00 N ATOM 952 CA GLN A 64 7.193 -10.219 0.492 1.00 0.00 C ATOM 953 C GLN A 64 6.403 -11.154 -0.418 1.00 0.00 C ATOM 954 O GLN A 64 5.389 -10.763 -0.997 1.00 0.00 O ATOM 955 CB GLN A 64 6.459 -10.042 1.822 1.00 0.00 C ATOM 956 CG GLN A 64 6.061 -11.355 2.477 1.00 0.00 C ATOM 957 CD GLN A 64 7.130 -11.889 3.409 1.00 0.00 C ATOM 958 OE1 GLN A 64 7.996 -11.144 3.871 1.00 0.00 O ATOM 959 NE2 GLN A 64 7.076 -13.185 3.692 1.00 0.00 N ATOM 0 H GLN A 64 6.774 -8.733 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 64 8.170 -10.665 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.096 -9.482 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.564 -9.442 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.136 -11.212 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.856 -12.095 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.341 -13.765 3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.769 -13.600 4.314 1.00 0.00 H new ATOM 968 N ASP A 65 6.875 -12.390 -0.540 1.00 0.00 N ATOM 969 CA ASP A 65 6.213 -13.382 -1.379 1.00 0.00 C ATOM 970 C ASP A 65 6.001 -12.844 -2.792 1.00 0.00 C ATOM 971 O ASP A 65 4.970 -13.098 -3.415 1.00 0.00 O ATOM 972 CB ASP A 65 4.870 -13.784 -0.767 1.00 0.00 C ATOM 973 CG ASP A 65 4.995 -14.964 0.177 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.909 -14.948 1.027 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.179 -15.903 0.065 1.00 0.00 O ATOM 0 H ASP A 65 7.714 -12.729 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 65 6.855 -14.261 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.450 -12.934 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.170 -14.033 -1.565 1.00 0.00 H new ATOM 980 N ARG A 66 6.984 -12.101 -3.290 1.00 0.00 N ATOM 981 CA ARG A 66 6.904 -11.526 -4.627 1.00 0.00 C ATOM 982 C ARG A 66 5.782 -10.495 -4.709 1.00 0.00 C ATOM 983 O ARG A 66 5.196 -10.284 -5.772 1.00 0.00 O ATOM 984 CB ARG A 66 6.677 -12.626 -5.666 1.00 0.00 C ATOM 985 CG ARG A 66 7.809 -13.637 -5.739 1.00 0.00 C ATOM 986 CD ARG A 66 7.945 -14.221 -7.136 1.00 0.00 C ATOM 987 NE ARG A 66 7.141 -15.429 -7.305 1.00 0.00 N ATOM 988 CZ ARG A 66 7.294 -16.277 -8.316 1.00 0.00 C ATOM 989 NH1 ARG A 66 8.216 -16.052 -9.242 1.00 0.00 N ATOM 990 NH2 ARG A 66 6.524 -17.354 -8.401 1.00 0.00 N ATOM 0 H ARG A 66 7.845 -11.883 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 66 7.850 -11.026 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.749 -13.148 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.547 -12.167 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.745 -13.158 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.628 -14.440 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.640 -13.477 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.992 -14.452 -7.332 1.00 0.00 H new ATOM 0 HE ARG A 66 6.423 -15.632 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.811 -15.226 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.331 -16.705 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.814 -17.531 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.642 -18.005 -9.177 1.00 0.00 H new ATOM 1004 N ILE A 67 5.489 -9.856 -3.582 1.00 0.00 N ATOM 1005 CA ILE A 67 4.439 -8.846 -3.528 1.00 0.00 C ATOM 1006 C ILE A 67 4.962 -7.539 -2.944 1.00 0.00 C ATOM 1007 O ILE A 67 5.766 -7.540 -2.012 1.00 0.00 O ATOM 1008 CB ILE A 67 3.240 -9.327 -2.688 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.843 -10.748 -3.093 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.064 -8.375 -2.852 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.430 -10.870 -4.542 1.00 0.00 C ATOM 0 H ILE A 67 5.964 -10.019 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 67 4.111 -8.676 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 67 3.531 -9.337 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.682 -11.418 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.021 -11.081 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.224 -8.727 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.354 -7.378 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.770 -8.337 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.162 -11.904 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.571 -10.226 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.258 -10.568 -5.183 1.00 0.00 H new ATOM 1023 N VAL A 68 4.499 -6.422 -3.498 1.00 0.00 N ATOM 1024 CA VAL A 68 4.919 -5.106 -3.031 1.00 0.00 C ATOM 1025 C VAL A 68 3.732 -4.306 -2.505 1.00 0.00 C ATOM 1026 O VAL A 68 2.704 -4.190 -3.172 1.00 0.00 O ATOM 1027 CB VAL A 68 5.607 -4.306 -4.152 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.081 -2.957 -3.632 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.766 -5.098 -4.737 1.00 0.00 C ATOM 0 H VAL A 68 3.833 -6.403 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 68 5.631 -5.269 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 68 4.881 -4.128 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.565 -2.406 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.227 -2.388 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.792 -3.109 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.241 -4.518 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.495 -5.309 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.394 -6.036 -5.149 1.00 0.00 H new ATOM 1039 N TYR A 69 3.882 -3.756 -1.305 1.00 0.00 N ATOM 1040 CA TYR A 69 2.822 -2.968 -0.688 1.00 0.00 C ATOM 1041 C TYR A 69 3.270 -1.525 -0.474 1.00 0.00 C ATOM 1042 O TYR A 69 3.933 -1.209 0.515 1.00 0.00 O ATOM 1043 CB TYR A 69 2.408 -3.589 0.647 1.00 0.00 C ATOM 1044 CG TYR A 69 1.976 -5.033 0.536 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.914 -6.058 0.497 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.631 -5.374 0.468 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.525 -7.379 0.394 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.232 -6.693 0.367 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.183 -7.692 0.330 1.00 0.00 C ATOM 1050 OH TYR A 69 0.790 -9.007 0.227 1.00 0.00 O ATOM 0 H TYR A 69 4.727 -3.841 -0.741 1.00 0.00 H new ATOM 0 HA TYR A 69 1.965 -2.967 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.243 -3.521 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.591 -3.006 1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.966 -5.817 0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.116 -4.594 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.267 -8.163 0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.818 -6.941 0.317 1.00 0.00 H new ATOM 0 HH TYR A 69 0.473 -9.323 1.099 1.00 0.00 H new ATOM 1060 N LEU A 70 2.903 -0.654 -1.407 1.00 0.00 N ATOM 1061 CA LEU A 70 3.265 0.756 -1.322 1.00 0.00 C ATOM 1062 C LEU A 70 2.139 1.571 -0.695 1.00 0.00 C ATOM 1063 O LEU A 70 0.962 1.239 -0.844 1.00 0.00 O ATOM 1064 CB LEU A 70 3.593 1.304 -2.713 1.00 0.00 C ATOM 1065 CG LEU A 70 4.159 2.723 -2.759 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.065 2.897 -3.967 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.032 3.746 -2.783 1.00 0.00 C ATOM 0 H LEU A 70 2.355 -0.900 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 70 4.147 0.841 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.310 0.633 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.685 1.277 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 70 4.752 2.887 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.459 3.913 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.891 2.189 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.496 2.714 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.453 4.751 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.412 3.584 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.423 3.637 -1.886 1.00 0.00 H new ATOM 1079 N CYS A 71 2.507 2.639 0.004 1.00 0.00 N ATOM 1080 CA CYS A 71 1.527 3.503 0.653 1.00 0.00 C ATOM 1081 C CYS A 71 2.075 4.916 0.821 1.00 0.00 C ATOM 1082 O CYS A 71 3.221 5.103 1.231 1.00 0.00 O ATOM 1083 CB CYS A 71 1.134 2.930 2.016 1.00 0.00 C ATOM 1084 SG CYS A 71 2.394 3.139 3.296 1.00 0.00 S ATOM 0 H CYS A 71 3.476 2.927 0.136 1.00 0.00 H new ATOM 0 HA CYS A 71 0.643 3.549 0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.212 3.408 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.919 1.867 1.903 1.00 0.00 H new ATOM 0 HG CYS A 71 3.242 4.052 2.925 1.00 0.00 H new ATOM 1090 N ILE A 72 1.249 5.907 0.501 1.00 0.00 N ATOM 1091 CA ILE A 72 1.652 7.303 0.616 1.00 0.00 C ATOM 1092 C ILE A 72 1.204 7.896 1.948 1.00 0.00 C ATOM 1093 O ILE A 72 0.028 7.827 2.307 1.00 0.00 O ATOM 1094 CB ILE A 72 1.074 8.152 -0.532 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.679 7.720 -1.869 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.333 9.630 -0.280 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.762 7.952 -3.050 1.00 0.00 C ATOM 0 H ILE A 72 0.298 5.769 0.160 1.00 0.00 H new ATOM 0 HA ILE A 72 2.740 7.324 0.559 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.004 7.994 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.610 8.264 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.933 6.661 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.919 10.217 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.859 9.928 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.407 9.805 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.256 7.623 -3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.160 7.387 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.528 9.014 -3.126 1.00 0.00 H new ATOM 1109 N THR A 73 2.149 8.482 2.676 1.00 0.00 N ATOM 1110 CA THR A 73 1.853 9.088 3.968 1.00 0.00 C ATOM 1111 C THR A 73 2.531 10.447 4.106 1.00 0.00 C ATOM 1112 O THR A 73 3.286 10.867 3.229 1.00 0.00 O ATOM 1113 CB THR A 73 2.301 8.183 5.130 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.712 7.950 5.054 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.561 6.854 5.098 1.00 0.00 C ATOM 0 H THR A 73 3.126 8.550 2.393 1.00 0.00 H new ATOM 0 HA THR A 73 0.772 9.218 4.015 1.00 0.00 H new ATOM 0 HB THR A 73 2.066 8.689 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.989 7.375 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.894 6.232 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.489 7.032 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.768 6.345 4.157 1.00 0.00 H new ATOM 1123 N ASP A 74 2.259 11.129 5.213 1.00 0.00 N ATOM 1124 CA ASP A 74 2.845 12.439 5.468 1.00 0.00 C ATOM 1125 C ASP A 74 4.218 12.304 6.119 1.00 0.00 C ATOM 1126 O ASP A 74 4.369 11.627 7.136 1.00 0.00 O ATOM 1127 CB ASP A 74 1.923 13.270 6.362 1.00 0.00 C ATOM 1128 CG ASP A 74 0.604 13.596 5.688 1.00 0.00 C ATOM 1129 OD1 ASP A 74 -0.281 12.715 5.658 1.00 0.00 O ATOM 1130 OD2 ASP A 74 0.457 14.732 5.192 1.00 0.00 O ATOM 0 H ASP A 74 1.636 10.796 5.949 1.00 0.00 H new ATOM 0 HA ASP A 74 2.965 12.947 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.731 12.726 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.426 14.197 6.637 1.00 0.00 H new ATOM 1135 N ASP A 75 5.215 12.951 5.525 1.00 0.00 N ATOM 1136 CA ASP A 75 6.576 12.902 6.047 1.00 0.00 C ATOM 1137 C ASP A 75 6.574 12.930 7.572 1.00 0.00 C ATOM 1138 O ASP A 75 7.319 12.192 8.217 1.00 0.00 O ATOM 1139 CB ASP A 75 7.395 14.075 5.504 1.00 0.00 C ATOM 1140 CG ASP A 75 8.871 13.948 5.826 1.00 0.00 C ATOM 1141 OD1 ASP A 75 9.232 14.076 7.014 1.00 0.00 O ATOM 1142 OD2 ASP A 75 9.665 13.720 4.889 1.00 0.00 O ATOM 0 H ASP A 75 5.106 13.515 4.682 1.00 0.00 H new ATOM 0 HA ASP A 75 7.032 11.968 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.266 14.135 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.013 15.006 5.923 1.00 0.00 H new ATOM 1147 N ASP A 76 5.733 13.786 8.142 1.00 0.00 N ATOM 1148 CA ASP A 76 5.634 13.910 9.592 1.00 0.00 C ATOM 1149 C ASP A 76 5.290 12.568 10.230 1.00 0.00 C ATOM 1150 O ASP A 76 5.915 12.155 11.207 1.00 0.00 O ATOM 1151 CB ASP A 76 4.578 14.952 9.965 1.00 0.00 C ATOM 1152 CG ASP A 76 5.152 16.352 10.053 1.00 0.00 C ATOM 1153 OD1 ASP A 76 6.039 16.683 9.238 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.715 17.118 10.937 1.00 0.00 O ATOM 0 H ASP A 76 5.110 14.404 7.622 1.00 0.00 H new ATOM 0 HA ASP A 76 6.603 14.234 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.779 14.936 9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.131 14.685 10.922 1.00 0.00 H new ATOM 1159 N PHE A 77 4.292 11.891 9.672 1.00 0.00 N ATOM 1160 CA PHE A 77 3.863 10.597 10.187 1.00 0.00 C ATOM 1161 C PHE A 77 5.065 9.742 10.578 1.00 0.00 C ATOM 1162 O PHE A 77 6.117 9.805 9.943 1.00 0.00 O ATOM 1163 CB PHE A 77 3.019 9.862 9.143 1.00 0.00 C ATOM 1164 CG PHE A 77 2.085 8.845 9.735 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.068 9.235 10.592 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.224 7.500 9.434 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.207 8.302 11.138 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.366 6.563 9.977 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.357 6.964 10.830 1.00 0.00 C ATOM 0 H PHE A 77 3.765 12.218 8.862 1.00 0.00 H new ATOM 0 HA PHE A 77 3.257 10.771 11.076 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.438 10.591 8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.683 9.365 8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.947 10.280 10.836 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.012 7.180 8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.582 8.619 11.804 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.485 5.517 9.734 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.314 6.233 11.256 1.00 0.00 H new ATOM 1179 N GLU A 78 4.899 8.944 11.629 1.00 0.00 N ATOM 1180 CA GLU A 78 5.971 8.078 12.106 1.00 0.00 C ATOM 1181 C GLU A 78 6.107 6.843 11.220 1.00 0.00 C ATOM 1182 O GLU A 78 5.118 6.188 10.893 1.00 0.00 O ATOM 1183 CB GLU A 78 5.709 7.655 13.553 1.00 0.00 C ATOM 1184 CG GLU A 78 6.764 6.716 14.113 1.00 0.00 C ATOM 1185 CD GLU A 78 8.074 7.421 14.408 1.00 0.00 C ATOM 1186 OE1 GLU A 78 8.587 8.121 13.510 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.585 7.273 15.538 1.00 0.00 O ATOM 0 H GLU A 78 4.034 8.880 12.165 1.00 0.00 H new ATOM 0 HA GLU A 78 6.904 8.640 12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.658 8.546 14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.735 7.169 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.388 6.257 15.028 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.942 5.909 13.402 1.00 0.00 H new ATOM 1194 N ARG A 79 7.341 6.532 10.835 1.00 0.00 N ATOM 1195 CA ARG A 79 7.607 5.378 9.985 1.00 0.00 C ATOM 1196 C ARG A 79 7.003 4.111 10.584 1.00 0.00 C ATOM 1197 O ARG A 79 6.268 3.385 9.914 1.00 0.00 O ATOM 1198 CB ARG A 79 9.114 5.195 9.794 1.00 0.00 C ATOM 1199 CG ARG A 79 9.698 6.066 8.694 1.00 0.00 C ATOM 1200 CD ARG A 79 10.099 7.435 9.219 1.00 0.00 C ATOM 1201 NE ARG A 79 10.715 8.260 8.184 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.250 9.453 8.417 1.00 0.00 C ATOM 1203 NH1 ARG A 79 11.245 9.958 9.643 1.00 0.00 N ATOM 1204 NH2 ARG A 79 11.793 10.144 7.422 1.00 0.00 N ATOM 0 H ARG A 79 8.171 7.063 11.098 1.00 0.00 H new ATOM 0 HA ARG A 79 7.143 5.558 9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.621 5.421 10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.318 4.149 9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.568 5.572 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.967 6.182 7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.219 7.944 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.795 7.315 10.049 1.00 0.00 H new ATOM 0 HE ARG A 79 10.736 7.900 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.829 9.430 10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.657 10.875 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.800 9.759 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.204 11.060 7.602 1.00 0.00 H new ATOM 1218 N SER A 80 7.318 3.851 11.849 1.00 0.00 N ATOM 1219 CA SER A 80 6.810 2.670 12.537 1.00 0.00 C ATOM 1220 C SER A 80 5.328 2.463 12.237 1.00 0.00 C ATOM 1221 O SER A 80 4.908 1.371 11.854 1.00 0.00 O ATOM 1222 CB SER A 80 7.023 2.801 14.046 1.00 0.00 C ATOM 1223 OG SER A 80 6.674 1.603 14.716 1.00 0.00 O ATOM 0 H SER A 80 7.923 4.443 12.418 1.00 0.00 H new ATOM 0 HA SER A 80 7.362 1.803 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.066 3.045 14.249 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.422 3.625 14.431 1.00 0.00 H new ATOM 0 HG SER A 80 6.821 1.712 15.679 1.00 0.00 H new ATOM 1229 N ARG A 81 4.542 3.519 12.416 1.00 0.00 N ATOM 1230 CA ARG A 81 3.107 3.454 12.167 1.00 0.00 C ATOM 1231 C ARG A 81 2.821 2.912 10.769 1.00 0.00 C ATOM 1232 O ARG A 81 2.119 1.913 10.612 1.00 0.00 O ATOM 1233 CB ARG A 81 2.476 4.839 12.326 1.00 0.00 C ATOM 1234 CG ARG A 81 2.351 5.289 13.772 1.00 0.00 C ATOM 1235 CD ARG A 81 1.299 6.376 13.929 1.00 0.00 C ATOM 1236 NE ARG A 81 -0.043 5.821 14.085 1.00 0.00 N ATOM 1237 CZ ARG A 81 -0.542 5.420 15.249 1.00 0.00 C ATOM 1238 NH1 ARG A 81 0.186 5.513 16.353 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -1.772 4.926 15.310 1.00 0.00 N ATOM 0 H ARG A 81 4.874 4.430 12.733 1.00 0.00 H new ATOM 0 HA ARG A 81 2.668 2.776 12.899 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.075 5.567 11.778 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.486 4.833 11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.090 4.436 14.398 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.314 5.660 14.123 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.540 6.991 14.796 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.321 7.031 13.058 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.629 5.737 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.132 5.893 16.310 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.199 5.204 17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.335 4.854 14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.154 4.618 16.204 1.00 0.00 H new ATOM 1253 N ALA A 82 3.371 3.577 9.758 1.00 0.00 N ATOM 1254 CA ALA A 82 3.177 3.160 8.375 1.00 0.00 C ATOM 1255 C ALA A 82 3.479 1.676 8.201 1.00 0.00 C ATOM 1256 O ALA A 82 2.598 0.890 7.851 1.00 0.00 O ATOM 1257 CB ALA A 82 4.051 3.991 7.447 1.00 0.00 C ATOM 0 H ALA A 82 3.954 4.406 9.871 1.00 0.00 H new ATOM 0 HA ALA A 82 2.131 3.323 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.897 3.669 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.785 5.044 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.099 3.856 7.716 1.00 0.00 H new ATOM 1263 N PHE A 83 4.729 1.298 8.447 1.00 0.00 N ATOM 1264 CA PHE A 83 5.147 -0.093 8.316 1.00 0.00 C ATOM 1265 C PHE A 83 4.156 -1.026 9.004 1.00 0.00 C ATOM 1266 O PHE A 83 3.907 -2.137 8.538 1.00 0.00 O ATOM 1267 CB PHE A 83 6.544 -0.286 8.910 1.00 0.00 C ATOM 1268 CG PHE A 83 7.647 0.227 8.029 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.838 -0.296 6.760 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.492 1.233 8.468 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.852 0.173 5.948 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.508 1.707 7.660 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.687 1.177 6.397 1.00 0.00 C ATOM 0 H PHE A 83 5.470 1.935 8.738 1.00 0.00 H new ATOM 0 HA PHE A 83 5.174 -0.340 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.594 0.222 9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.706 -1.347 9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.186 -1.079 6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.355 1.652 9.454 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.992 -0.245 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.161 2.490 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.478 1.547 5.762 1.00 0.00 H new ATOM 1283 N ASN A 84 3.594 -0.566 10.117 1.00 0.00 N ATOM 1284 CA ASN A 84 2.630 -1.359 10.871 1.00 0.00 C ATOM 1285 C ASN A 84 1.406 -1.681 10.020 1.00 0.00 C ATOM 1286 O ASN A 84 1.198 -2.826 9.619 1.00 0.00 O ATOM 1287 CB ASN A 84 2.204 -0.614 12.137 1.00 0.00 C ATOM 1288 CG ASN A 84 1.543 -1.527 13.152 1.00 0.00 C ATOM 1289 OD1 ASN A 84 0.693 -2.347 12.804 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.931 -1.388 14.414 1.00 0.00 N ATOM 0 H ASN A 84 3.790 0.352 10.517 1.00 0.00 H new ATOM 0 HA ASN A 84 3.110 -2.296 11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.077 -0.144 12.590 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.514 0.186 11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.521 -1.974 15.141 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.639 -0.695 14.656 1.00 0.00 H new ATOM 1297 N PHE A 85 0.597 -0.662 9.748 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.608 -0.836 8.945 1.00 0.00 C ATOM 1299 C PHE A 85 -0.334 -1.734 7.741 1.00 0.00 C ATOM 1300 O PHE A 85 -1.137 -2.607 7.409 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.132 0.522 8.473 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.099 0.427 7.328 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.643 0.365 6.021 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.465 0.399 7.558 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.530 0.276 4.965 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.357 0.311 6.507 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.889 0.250 5.208 1.00 0.00 C ATOM 0 H PHE A 85 0.754 0.292 10.072 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.364 -1.313 9.568 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.619 1.025 9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.288 1.144 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.581 0.386 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.837 0.447 8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.161 0.227 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.419 0.290 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.585 0.182 4.385 1.00 0.00 H new ATOM 1317 N LEU A 86 0.804 -1.513 7.092 1.00 0.00 N ATOM 1318 CA LEU A 86 1.184 -2.301 5.925 1.00 0.00 C ATOM 1319 C LEU A 86 1.285 -3.782 6.277 1.00 0.00 C ATOM 1320 O LEU A 86 0.489 -4.596 5.812 1.00 0.00 O ATOM 1321 CB LEU A 86 2.518 -1.806 5.364 1.00 0.00 C ATOM 1322 CG LEU A 86 2.455 -0.553 4.491 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.856 -0.082 4.131 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.640 -0.819 3.233 1.00 0.00 C ATOM 0 H LEU A 86 1.479 -0.795 7.354 1.00 0.00 H new ATOM 0 HA LEU A 86 0.410 -2.179 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.190 -1.609 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.964 -2.610 4.779 1.00 0.00 H new ATOM 0 HG LEU A 86 1.963 0.237 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.791 0.811 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.407 0.150 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.375 -0.869 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.606 0.084 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.103 -1.624 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.626 -1.108 3.511 1.00 0.00 H new ATOM 1336 N ASN A 87 2.269 -4.122 7.104 1.00 0.00 N ATOM 1337 CA ASN A 87 2.473 -5.505 7.520 1.00 0.00 C ATOM 1338 C ASN A 87 1.146 -6.167 7.877 1.00 0.00 C ATOM 1339 O ASN A 87 0.941 -7.351 7.610 1.00 0.00 O ATOM 1340 CB ASN A 87 3.424 -5.564 8.717 1.00 0.00 C ATOM 1341 CG ASN A 87 3.614 -6.976 9.236 1.00 0.00 C ATOM 1342 OD1 ASN A 87 2.904 -7.898 8.833 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.576 -7.152 10.135 1.00 0.00 N ATOM 0 H ASN A 87 2.937 -3.460 7.499 1.00 0.00 H new ATOM 0 HA ASN A 87 2.916 -6.048 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.391 -5.152 8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.035 -4.935 9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.751 -8.080 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.140 -6.359 10.440 1.00 0.00 H new ATOM 1350 N GLU A 88 0.249 -5.395 8.482 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.058 -5.907 8.876 1.00 0.00 C ATOM 1352 C GLU A 88 -1.821 -6.438 7.665 1.00 0.00 C ATOM 1353 O GLU A 88 -2.124 -7.628 7.583 1.00 0.00 O ATOM 1354 CB GLU A 88 -1.873 -4.812 9.567 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.678 -4.766 11.073 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.353 -5.922 11.784 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.531 -6.985 11.152 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -2.705 -5.765 12.972 1.00 0.00 O ATOM 0 H GLU A 88 0.404 -4.413 8.710 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.903 -6.729 9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.599 -3.845 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.930 -4.966 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.612 -4.779 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.074 -3.826 11.458 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.129 -5.545 6.730 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.856 -5.923 5.525 1.00 0.00 C ATOM 1367 C ILE A 89 -2.045 -6.894 4.675 1.00 0.00 C ATOM 1368 O ILE A 89 -2.549 -7.932 4.244 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.215 -4.690 4.674 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -1.956 -3.884 4.348 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.233 -3.823 5.401 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.243 -2.568 3.660 1.00 0.00 C ATOM 0 H ILE A 89 -1.886 -4.556 6.784 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.775 -6.410 5.851 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.658 -5.029 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.409 -3.691 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.305 -4.483 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.477 -2.956 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.138 -4.402 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.815 -3.489 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.305 -2.050 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.763 -2.754 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.868 -1.949 4.304 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.783 -6.552 4.438 1.00 0.00 N ATOM 1385 CA LYS A 90 0.102 -7.394 3.642 1.00 0.00 C ATOM 1386 C LYS A 90 -0.042 -8.861 4.036 1.00 0.00 C ATOM 1387 O LYS A 90 -0.121 -9.740 3.178 1.00 0.00 O ATOM 1388 CB LYS A 90 1.556 -6.950 3.816 1.00 0.00 C ATOM 1389 CG LYS A 90 2.361 -7.849 4.739 1.00 0.00 C ATOM 1390 CD LYS A 90 3.844 -7.522 4.682 1.00 0.00 C ATOM 1391 CE LYS A 90 4.668 -8.536 5.460 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.418 -8.446 6.925 1.00 0.00 N ATOM 0 H LYS A 90 -0.350 -5.697 4.786 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.182 -7.287 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.038 -6.922 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.572 -5.933 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.002 -7.737 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.206 -8.891 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.174 -7.503 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.014 -6.525 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.430 -9.541 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.727 -8.372 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.450 -9.398 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.148 -7.851 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.481 -8.026 7.092 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.078 -9.118 5.339 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.216 -10.478 5.847 1.00 0.00 C ATOM 1408 C LYS A 91 -1.614 -11.022 5.571 1.00 0.00 C ATOM 1409 O LYS A 91 -1.769 -12.157 5.121 1.00 0.00 O ATOM 1410 CB LYS A 91 0.069 -10.513 7.351 1.00 0.00 C ATOM 1411 CG LYS A 91 1.533 -10.735 7.687 1.00 0.00 C ATOM 1412 CD LYS A 91 1.713 -11.170 9.132 1.00 0.00 C ATOM 1413 CE LYS A 91 3.177 -11.142 9.544 1.00 0.00 C ATOM 1414 NZ LYS A 91 3.390 -11.768 10.879 1.00 0.00 N ATOM 0 H LYS A 91 -0.014 -8.402 6.063 1.00 0.00 H new ATOM 0 HA LYS A 91 0.508 -11.108 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.259 -9.574 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.524 -11.306 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.949 -11.493 7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.091 -9.816 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.138 -10.514 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.316 -12.177 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.774 -11.666 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.528 -10.110 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.400 -11.729 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.840 -11.253 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.079 -12.760 10.851 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.626 -10.206 5.843 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.011 -10.607 5.623 1.00 0.00 C ATOM 1430 C ARG A 92 -4.243 -10.980 4.161 1.00 0.00 C ATOM 1431 O ARG A 92 -5.005 -11.898 3.858 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.961 -9.479 6.030 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.397 -9.545 7.484 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.654 -8.724 7.727 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.214 -8.962 9.055 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.253 -8.294 9.544 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.841 -7.352 8.819 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.706 -8.567 10.761 1.00 0.00 N ATOM 0 H ARG A 92 -2.514 -9.263 6.216 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.212 -11.483 6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.473 -8.521 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.845 -9.512 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.579 -10.583 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.593 -9.179 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.422 -7.665 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.399 -8.969 6.970 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.784 -9.680 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.496 -7.139 7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.639 -6.841 9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.256 -9.290 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.504 -8.053 11.135 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.582 -10.261 3.260 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.718 -10.515 1.831 1.00 0.00 C ATOM 1454 C PHE A 93 -2.990 -11.796 1.434 1.00 0.00 C ATOM 1455 O PHE A 93 -3.589 -12.715 0.877 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.170 -9.334 1.027 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.187 -9.559 -0.458 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.177 -10.280 -1.074 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -4.214 -9.051 -1.237 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -2.191 -10.488 -2.441 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.233 -9.257 -2.604 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.221 -9.977 -3.206 1.00 0.00 C ATOM 0 H PHE A 93 -2.947 -9.498 3.494 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.778 -10.637 1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.756 -8.445 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.147 -9.133 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.370 -10.684 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.009 -8.488 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.397 -11.050 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.039 -8.855 -3.200 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.235 -10.140 -4.273 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.694 -11.847 1.727 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.884 -13.014 1.400 1.00 0.00 C ATOM 1474 C GLN A 94 -1.436 -14.266 2.073 1.00 0.00 C ATOM 1475 O GLN A 94 -1.276 -15.378 1.568 1.00 0.00 O ATOM 1476 CB GLN A 94 0.568 -12.790 1.827 1.00 0.00 C ATOM 1477 CG GLN A 94 0.850 -13.200 3.263 1.00 0.00 C ATOM 1478 CD GLN A 94 2.277 -12.910 3.684 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.625 -11.630 3.755 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 3.059 -13.825 3.942 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.184 -11.095 2.190 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.920 -13.158 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.224 -13.352 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.816 -11.736 1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.165 -12.674 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.651 -14.265 3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.750 -14.795 3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.016 -13.614 4.223 1.00 0.00 H new ATOM 1489 N THR A 95 -2.088 -14.079 3.216 1.00 0.00 N ATOM 1490 CA THR A 95 -2.663 -15.193 3.960 1.00 0.00 C ATOM 1491 C THR A 95 -4.060 -15.531 3.451 1.00 0.00 C ATOM 1492 O THR A 95 -4.536 -16.655 3.611 1.00 0.00 O ATOM 1493 CB THR A 95 -2.739 -14.883 5.467 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.459 -14.453 5.943 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.191 -16.107 6.249 1.00 0.00 C ATOM 0 H THR A 95 -2.231 -13.166 3.647 1.00 0.00 H new ATOM 0 HA THR A 95 -2.006 -16.049 3.806 1.00 0.00 H new ATOM 0 HB THR A 95 -3.468 -14.087 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.232 -13.590 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.237 -15.864 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.178 -16.415 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.482 -16.920 6.094 1.00 0.00 H new ATOM 1503 N THR A 96 -4.714 -14.550 2.837 1.00 0.00 N ATOM 1504 CA THR A 96 -6.057 -14.743 2.305 1.00 0.00 C ATOM 1505 C THR A 96 -6.023 -14.986 0.801 1.00 0.00 C ATOM 1506 O THR A 96 -6.343 -16.079 0.331 1.00 0.00 O ATOM 1507 CB THR A 96 -6.957 -13.527 2.597 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.101 -13.352 4.011 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.328 -13.704 1.961 1.00 0.00 C ATOM 0 H THR A 96 -4.335 -13.614 2.696 1.00 0.00 H new ATOM 0 HA THR A 96 -6.471 -15.620 2.803 1.00 0.00 H new ATOM 0 HB THR A 96 -6.486 -12.643 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.483 -12.657 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.946 -12.833 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.218 -13.808 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.804 -14.598 2.365 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.633 -13.963 0.050 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.559 -14.065 -1.403 1.00 0.00 C ATOM 1519 C TYR A 97 -4.110 -14.021 -1.879 1.00 0.00 C ATOM 1520 O TYR A 97 -3.810 -13.474 -2.939 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.357 -12.935 -2.056 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.689 -12.672 -1.392 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.703 -13.622 -1.422 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.934 -11.473 -0.733 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.922 -13.385 -0.817 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.150 -11.229 -0.124 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.141 -12.188 -0.169 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.353 -11.948 0.436 1.00 0.00 O ATOM 0 H TYR A 97 -5.363 -13.053 0.423 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.990 -15.022 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.763 -12.022 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.525 -13.180 -3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.535 -14.562 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.161 -10.720 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.700 -14.134 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.324 -10.292 0.385 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.343 -11.059 0.848 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.216 -14.603 -1.086 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.809 -14.620 -1.442 1.00 0.00 C ATOM 1540 C GLY A 98 -1.517 -15.545 -2.607 1.00 0.00 C ATOM 1541 O GLY A 98 -1.119 -15.095 -3.681 1.00 0.00 O ATOM 0 H GLY A 98 -3.441 -15.063 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.489 -13.609 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.222 -14.933 -0.578 1.00 0.00 H new ATOM 1545 N SER A 99 -1.713 -16.842 -2.394 1.00 0.00 N ATOM 1546 CA SER A 99 -1.463 -17.834 -3.433 1.00 0.00 C ATOM 1547 C SER A 99 -2.097 -17.409 -4.754 1.00 0.00 C ATOM 1548 O SER A 99 -1.453 -17.441 -5.803 1.00 0.00 O ATOM 1549 CB SER A 99 -2.010 -19.198 -3.008 1.00 0.00 C ATOM 1550 OG SER A 99 -3.235 -19.061 -2.309 1.00 0.00 O ATOM 0 H SER A 99 -2.044 -17.231 -1.511 1.00 0.00 H new ATOM 0 HA SER A 99 -0.385 -17.911 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.158 -19.824 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.281 -19.704 -2.375 1.00 0.00 H new ATOM 0 HG SER A 99 -3.565 -19.947 -2.050 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.363 -17.009 -4.694 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.085 -16.578 -5.885 1.00 0.00 C ATOM 1558 C ARG A 100 -3.360 -15.425 -6.573 1.00 0.00 C ATOM 1559 O ARG A 100 -3.344 -15.334 -7.800 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.509 -16.154 -5.518 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.492 -17.311 -5.452 1.00 0.00 C ATOM 1562 CD ARG A 100 -6.524 -17.936 -4.066 1.00 0.00 C ATOM 1563 NE ARG A 100 -6.849 -19.359 -4.115 1.00 0.00 N ATOM 1564 CZ ARG A 100 -6.881 -20.143 -3.043 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -6.609 -19.644 -1.845 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -7.185 -21.428 -3.168 1.00 0.00 N ATOM 0 H ARG A 100 -3.910 -16.974 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.131 -17.419 -6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.491 -15.648 -4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.863 -15.429 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.489 -16.958 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.216 -18.067 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.555 -17.802 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.259 -17.417 -3.451 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.063 -19.774 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.375 -18.656 -1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.634 -20.248 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.395 -21.815 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.209 -22.029 -2.344 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.763 -14.548 -5.774 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.035 -13.402 -6.305 1.00 0.00 C ATOM 1582 C ALA A 101 -0.888 -13.850 -7.204 1.00 0.00 C ATOM 1583 O ALA A 101 -0.271 -13.035 -7.890 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.511 -12.536 -5.169 1.00 0.00 C ATOM 0 H ALA A 101 -2.769 -14.609 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.725 -12.812 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.970 -11.684 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.347 -12.178 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.840 -13.124 -4.543 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.607 -15.149 -7.196 1.00 0.00 N ATOM 1591 CA GLN A 102 0.468 -15.703 -8.010 1.00 0.00 C ATOM 1592 C GLN A 102 -0.045 -16.103 -9.390 1.00 0.00 C ATOM 1593 O GLN A 102 0.735 -16.293 -10.324 1.00 0.00 O ATOM 1594 CB GLN A 102 1.090 -16.915 -7.315 1.00 0.00 C ATOM 1595 CG GLN A 102 1.666 -16.600 -5.943 1.00 0.00 C ATOM 1596 CD GLN A 102 2.936 -15.775 -6.019 1.00 0.00 C ATOM 1597 OE1 GLN A 102 4.039 -16.317 -6.082 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.786 -14.455 -6.014 1.00 0.00 N ATOM 0 H GLN A 102 -1.109 -15.837 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 102 1.229 -14.933 -8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.333 -17.693 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.880 -17.320 -7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.922 -16.062 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.874 -17.532 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.852 -14.048 -5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.605 -13.849 -6.064 1.00 0.00 H new ATOM 1607 N THR A 103 -1.363 -16.228 -9.513 1.00 0.00 N ATOM 1608 CA THR A 103 -1.981 -16.606 -10.778 1.00 0.00 C ATOM 1609 C THR A 103 -3.120 -15.660 -11.138 1.00 0.00 C ATOM 1610 O THR A 103 -3.113 -15.041 -12.202 1.00 0.00 O ATOM 1611 CB THR A 103 -2.521 -18.048 -10.730 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.527 -18.161 -9.717 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.400 -19.037 -10.452 1.00 0.00 C ATOM 0 H THR A 103 -2.023 -16.073 -8.751 1.00 0.00 H new ATOM 0 HA THR A 103 -1.205 -16.542 -11.541 1.00 0.00 H new ATOM 0 HB THR A 103 -2.957 -18.282 -11.701 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.866 -19.080 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.806 -20.048 -10.423 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.651 -18.969 -11.241 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.938 -18.803 -9.493 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.098 -15.551 -10.244 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.243 -14.677 -10.467 1.00 0.00 C ATOM 1623 C ALA A 104 -4.829 -13.407 -11.201 1.00 0.00 C ATOM 1624 O ALA A 104 -3.680 -12.969 -11.136 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.909 -14.332 -9.143 1.00 0.00 C ATOM 0 H ALA A 104 -4.120 -16.057 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.959 -15.209 -11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.763 -13.679 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.249 -15.247 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.193 -13.823 -8.497 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.786 -12.798 -11.918 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.544 -11.569 -12.679 1.00 0.00 C ATOM 1633 C PRO A 105 -5.318 -10.362 -11.774 1.00 0.00 C ATOM 1634 O PRO A 105 -5.524 -10.418 -10.561 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.830 -11.395 -13.490 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.875 -12.107 -12.702 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.178 -13.264 -12.041 1.00 0.00 C ATOM 0 HA PRO A 105 -4.644 -11.639 -13.290 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.079 -10.341 -13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.729 -11.820 -14.488 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.323 -11.446 -11.960 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.682 -12.454 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.613 -13.492 -11.068 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.247 -14.171 -12.642 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.886 -9.244 -12.375 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.623 -8.002 -11.641 1.00 0.00 C ATOM 1647 C PRO A 106 -5.903 -7.349 -11.130 1.00 0.00 C ATOM 1648 O PRO A 106 -5.859 -6.425 -10.318 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.948 -7.109 -12.685 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.435 -7.624 -13.996 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.619 -9.105 -13.816 1.00 0.00 C ATOM 0 HA PRO A 106 -4.017 -8.175 -10.752 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.219 -6.062 -12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.862 -7.169 -12.615 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.373 -7.146 -14.279 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.717 -7.413 -14.789 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.447 -9.483 -14.416 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.730 -9.660 -14.115 1.00 0.00 H new ATOM 1659 N TYR A 107 -7.042 -7.836 -11.610 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.335 -7.299 -11.202 1.00 0.00 C ATOM 1661 C TYR A 107 -9.273 -8.416 -10.755 1.00 0.00 C ATOM 1662 O TYR A 107 -10.425 -8.482 -11.182 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.970 -6.514 -12.352 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.609 -5.046 -12.355 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.282 -4.636 -12.307 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -9.595 -4.068 -12.405 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.948 -3.296 -12.308 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.270 -2.726 -12.408 1.00 0.00 C ATOM 1669 CZ TYR A 107 -7.946 -2.344 -12.360 1.00 0.00 C ATOM 1670 OH TYR A 107 -7.618 -1.008 -12.361 1.00 0.00 O ATOM 0 H TYR A 107 -7.096 -8.602 -12.282 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.171 -6.628 -10.359 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.660 -6.958 -13.298 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.054 -6.613 -12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.498 -5.378 -12.268 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.633 -4.363 -12.442 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.912 -2.995 -12.268 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.049 -1.979 -12.448 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.436 -0.470 -12.402 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.770 -9.291 -9.891 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.562 -10.404 -9.383 1.00 0.00 C ATOM 1682 C ALA A 108 -10.063 -10.122 -7.970 1.00 0.00 C ATOM 1683 O ALA A 108 -11.267 -10.115 -7.718 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.746 -11.688 -9.409 1.00 0.00 C ATOM 0 H ALA A 108 -7.818 -9.251 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.430 -10.525 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.350 -12.511 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.443 -11.906 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.860 -11.569 -8.786 1.00 0.00 H new ATOM 1690 N MET A 109 -9.130 -9.889 -7.053 1.00 0.00 N ATOM 1691 CA MET A 109 -9.478 -9.606 -5.665 1.00 0.00 C ATOM 1692 C MET A 109 -9.474 -8.104 -5.400 1.00 0.00 C ATOM 1693 O MET A 109 -8.973 -7.646 -4.374 1.00 0.00 O ATOM 1694 CB MET A 109 -8.500 -10.305 -4.719 1.00 0.00 C ATOM 1695 CG MET A 109 -7.067 -9.816 -4.855 1.00 0.00 C ATOM 1696 SD MET A 109 -6.143 -10.715 -6.116 1.00 0.00 S ATOM 1697 CE MET A 109 -5.936 -12.304 -5.315 1.00 0.00 C ATOM 0 H MET A 109 -8.128 -9.890 -7.245 1.00 0.00 H new ATOM 0 HA MET A 109 -10.483 -9.987 -5.483 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.831 -10.154 -3.691 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.528 -11.378 -4.908 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.071 -8.754 -5.101 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.560 -9.919 -3.896 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.460 -13.000 -6.005 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.311 -12.186 -4.429 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.911 -12.694 -5.022 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.036 -7.341 -6.332 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.097 -5.890 -6.199 1.00 0.00 C ATOM 1709 C ASN A 110 -11.312 -5.470 -5.378 1.00 0.00 C ATOM 1710 O ASN A 110 -11.251 -4.513 -4.605 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.148 -5.232 -7.579 1.00 0.00 C ATOM 1712 CG ASN A 110 -9.787 -3.760 -7.531 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -8.683 -3.392 -7.130 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.721 -2.909 -7.941 1.00 0.00 N ATOM 0 H ASN A 110 -10.456 -7.704 -7.188 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.197 -5.560 -5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.463 -5.750 -8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.149 -5.344 -7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.537 -1.906 -7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.623 -3.259 -8.265 1.00 0.00 H new ATOM 1721 N SER A 111 -12.415 -6.192 -5.550 1.00 0.00 N ATOM 1722 CA SER A 111 -13.645 -5.892 -4.827 1.00 0.00 C ATOM 1723 C SER A 111 -13.514 -6.264 -3.354 1.00 0.00 C ATOM 1724 O SER A 111 -13.529 -5.397 -2.480 1.00 0.00 O ATOM 1725 CB SER A 111 -14.824 -6.641 -5.452 1.00 0.00 C ATOM 1726 OG SER A 111 -15.401 -5.895 -6.509 1.00 0.00 O ATOM 0 H SER A 111 -12.482 -6.989 -6.184 1.00 0.00 H new ATOM 0 HA SER A 111 -13.827 -4.820 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.487 -7.607 -5.827 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.577 -6.840 -4.690 1.00 0.00 H new ATOM 0 HG SER A 111 -16.151 -6.397 -6.892 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.386 -7.560 -3.086 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.254 -8.048 -1.718 1.00 0.00 C ATOM 1734 C GLU A 112 -12.232 -7.221 -0.943 1.00 0.00 C ATOM 1735 O GLU A 112 -12.533 -6.681 0.122 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.841 -9.521 -1.716 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.944 -10.462 -2.172 1.00 0.00 C ATOM 1738 CD GLU A 112 -15.107 -10.512 -1.200 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -14.863 -10.434 0.022 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -16.261 -10.630 -1.663 1.00 0.00 O ATOM 0 H GLU A 112 -13.371 -8.290 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.223 -7.949 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.975 -9.648 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.529 -9.801 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.306 -10.145 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.534 -11.465 -2.294 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.022 -7.128 -1.484 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.954 -6.369 -0.843 1.00 0.00 C ATOM 1749 C PHE A 113 -10.342 -4.901 -0.698 1.00 0.00 C ATOM 1750 O PHE A 113 -10.295 -4.340 0.397 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.659 -6.489 -1.649 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.418 -6.403 -0.807 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.170 -7.340 0.183 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.501 -5.384 -1.005 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.029 -7.264 0.959 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.358 -5.302 -0.232 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.122 -6.243 0.752 1.00 0.00 C ATOM 0 H PHE A 113 -10.756 -7.569 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.794 -6.784 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.660 -7.439 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.634 -5.700 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.877 -8.139 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.681 -4.645 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.847 -8.002 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.650 -4.503 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.230 -6.180 1.358 1.00 0.00 H new ATOM 1767 N SER A 114 -10.725 -4.283 -1.811 1.00 0.00 N ATOM 1768 CA SER A 114 -11.116 -2.879 -1.810 1.00 0.00 C ATOM 1769 C SER A 114 -11.855 -2.522 -0.524 1.00 0.00 C ATOM 1770 O SER A 114 -11.501 -1.563 0.163 1.00 0.00 O ATOM 1771 CB SER A 114 -12.001 -2.573 -3.021 1.00 0.00 C ATOM 1772 OG SER A 114 -12.845 -1.464 -2.769 1.00 0.00 O ATOM 0 H SER A 114 -10.773 -4.733 -2.725 1.00 0.00 H new ATOM 0 HA SER A 114 -10.210 -2.275 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.375 -2.368 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.606 -3.447 -3.263 1.00 0.00 H new ATOM 0 HG SER A 114 -13.399 -1.288 -3.558 1.00 0.00 H new ATOM 1778 N SER A 115 -12.884 -3.300 -0.204 1.00 0.00 N ATOM 1779 CA SER A 115 -13.676 -3.065 0.998 1.00 0.00 C ATOM 1780 C SER A 115 -12.835 -3.276 2.253 1.00 0.00 C ATOM 1781 O SER A 115 -12.799 -2.425 3.141 1.00 0.00 O ATOM 1782 CB SER A 115 -14.892 -3.993 1.022 1.00 0.00 C ATOM 1783 OG SER A 115 -15.790 -3.629 2.056 1.00 0.00 O ATOM 0 H SER A 115 -13.189 -4.099 -0.760 1.00 0.00 H new ATOM 0 HA SER A 115 -14.018 -2.030 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.404 -3.952 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.565 -5.023 1.166 1.00 0.00 H new ATOM 0 HG SER A 115 -16.560 -4.236 2.050 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.158 -4.419 2.319 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.316 -4.744 3.464 1.00 0.00 C ATOM 1791 C VAL A 116 -10.363 -3.599 3.787 1.00 0.00 C ATOM 1792 O VAL A 116 -10.323 -3.110 4.917 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.497 -6.024 3.212 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.566 -6.300 4.383 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.421 -7.207 2.965 1.00 0.00 C ATOM 0 H VAL A 116 -12.177 -5.135 1.593 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.982 -4.908 4.311 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.888 -5.876 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.995 -7.208 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.882 -5.461 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.153 -6.429 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.826 -8.103 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.057 -7.360 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.043 -7.007 2.092 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.597 -3.175 2.788 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.643 -2.085 2.965 1.00 0.00 C ATOM 1807 C LEU A 117 -9.328 -0.849 3.537 1.00 0.00 C ATOM 1808 O LEU A 117 -8.863 -0.265 4.516 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.977 -1.742 1.632 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.834 -2.661 1.196 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.375 -2.312 -0.211 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.674 -2.570 2.176 1.00 0.00 C ATOM 0 H LEU A 117 -9.618 -3.569 1.847 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.880 -2.414 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.741 -1.751 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.595 -0.723 1.691 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.200 -3.688 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.562 -2.976 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.207 -2.430 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.027 -1.279 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.870 -3.230 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.309 -1.544 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.011 -2.871 3.168 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.438 -0.455 2.921 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.190 0.709 3.371 1.00 0.00 C ATOM 1826 C ALA A 118 -11.399 0.678 4.881 1.00 0.00 C ATOM 1827 O ALA A 118 -11.188 1.677 5.567 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.530 0.782 2.653 1.00 0.00 C ATOM 0 H ALA A 118 -10.836 -0.926 2.108 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.611 1.600 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.081 1.656 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.363 0.860 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.107 -0.118 2.866 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.814 -0.476 5.393 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.050 -0.638 6.822 1.00 0.00 C ATOM 1836 C ALA A 119 -10.760 -0.458 7.615 1.00 0.00 C ATOM 1837 O ALA A 119 -10.754 0.175 8.671 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.660 -2.003 7.106 1.00 0.00 C ATOM 0 H ALA A 119 -11.994 -1.313 4.839 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.752 0.134 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.831 -2.110 8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.608 -2.095 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.979 -2.784 6.768 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.671 -1.017 7.099 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.375 -0.919 7.761 1.00 0.00 C ATOM 1846 C GLN A 120 -7.899 0.529 7.813 1.00 0.00 C ATOM 1847 O GLN A 120 -7.294 0.960 8.795 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.342 -1.783 7.036 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.538 -3.275 7.250 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.130 -3.724 8.639 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -5.946 -3.912 8.921 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.110 -3.899 9.518 1.00 0.00 N ATOM 0 H GLN A 120 -9.660 -1.542 6.225 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.488 -1.282 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.387 -1.569 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.345 -1.504 7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.585 -3.527 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.956 -3.824 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.078 -3.732 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.895 -4.200 10.468 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.176 1.276 6.749 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.775 2.676 6.673 1.00 0.00 C ATOM 1863 C LEU A 121 -8.584 3.528 7.646 1.00 0.00 C ATOM 1864 O LEU A 121 -8.031 4.146 8.556 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.954 3.201 5.247 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.748 3.049 4.320 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.201 2.907 2.875 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.805 4.233 4.471 1.00 0.00 C ATOM 0 H LEU A 121 -8.676 0.935 5.928 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.723 2.743 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.802 2.686 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.215 4.258 5.300 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.210 2.144 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.329 2.800 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.835 2.026 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.763 3.793 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.953 4.107 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.332 5.153 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.454 4.289 5.501 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.898 3.554 7.450 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.785 4.327 8.311 1.00 0.00 C ATOM 1882 C LYS A 122 -10.570 3.966 9.777 1.00 0.00 C ATOM 1883 O LYS A 122 -10.505 4.842 10.640 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.246 4.082 7.924 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.648 4.747 6.619 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.738 3.964 5.907 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.095 4.177 6.560 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.780 5.389 6.032 1.00 0.00 N ATOM 0 H LYS A 122 -10.372 3.048 6.702 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.552 5.383 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.417 3.009 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.891 4.448 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.998 5.760 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.777 4.832 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.784 4.270 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.491 2.902 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.722 3.302 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.968 4.272 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.701 5.499 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.194 6.228 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -15.924 5.288 5.007 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.459 2.670 10.053 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.248 2.194 11.416 1.00 0.00 C ATOM 1904 C HIS A 123 -8.945 2.742 11.988 1.00 0.00 C ATOM 1905 O HIS A 123 -8.945 3.443 13.000 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.229 0.665 11.447 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.795 0.098 12.763 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -8.475 0.036 13.157 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -10.514 -0.432 13.780 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -8.401 -0.510 14.358 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -9.625 -0.803 14.758 1.00 0.00 N ATOM 0 H HIS A 123 -10.512 1.931 9.352 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.073 2.553 12.031 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -11.226 0.293 11.211 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.560 0.302 10.666 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.588 -0.542 13.815 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -7.494 -0.687 14.917 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -9.870 -1.235 15.649 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.834 2.418 11.333 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.523 2.879 11.777 1.00 0.00 C ATOM 1922 C HIS A 124 -6.513 4.393 11.961 1.00 0.00 C ATOM 1923 O HIS A 124 -6.324 4.892 13.070 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.447 2.468 10.771 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.848 1.124 11.050 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -5.556 -0.054 10.934 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -3.600 0.774 11.439 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -4.769 -1.070 11.242 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -3.577 -0.594 11.552 1.00 0.00 N ATOM 0 H HIS A 124 -7.816 1.839 10.494 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.308 2.413 12.739 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.880 2.463 9.771 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.655 3.217 10.772 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -6.534 -0.129 10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.775 1.446 11.626 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -5.053 -2.112 11.240 1.00 0.00 H new