USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 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 129 SER OG : rot 72:sc= 0.519 USER MOD Set 1.2: A 130 GLN : amide:sc= -4.44! K(o=-3.9!,f=-4.7) USER MOD Set 2.1: A 119 GLN : amide:sc= -0.0222 X(o=-0.044,f=-0.08) USER MOD Set 2.2: A 123 THR OG1 : rot 71:sc= -0.0216 USER MOD Set 3.1: A 80 GLN : amide:sc= -0.0164 K(o=-1.5,f=-4!) USER MOD Set 3.2: A 83 HIS : no HD1:sc= -1.44 K(o=-1.5,f=-2!) USER MOD Set 4.1: A 68 GLN :FLIP amide:sc= -0.096 F(o=-4.1!,f=-1.4) USER MOD Set 4.2: A 71 SER OG : rot 51:sc= -1.26! USER MOD Set 5.1: A 61 CYS SG : rot 176:sc= -7.66! USER MOD Set 5.2: A 65 ASN : amide:sc= -1.12 K(o=-8.8,f=-12!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 49 ASN : amide:sc= -0.696 K(o=-0.7,f=-4.2!) USER MOD Single : A 51 MET CE :methyl -102:sc= -1.63 (180deg=-3.32!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0318 (180deg=-0.241) USER MOD Single : A 76 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.35) USER MOD Single : A 81 ASN : amide:sc= -1.01 K(o=-1,f=-3.6!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.2!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.263 F(o=-1.1,f=-0.26) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.0504 (180deg=-0.329) USER MOD Single : A 103 HIS : no HE2:sc= -3.26! C(o=-3.3!,f=-6!) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.961 F(o=-4.4!,f=-0.96) USER MOD Single : A 115 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.312 F(o=-2.8!,f=-0.31) USER MOD Single : A 117 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-7.9!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 122 SER OG : rot -24:sc= 0.923 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -6.389 -2.360 -14.739 1.00 0.00 N ATOM 105 CA GLN A 33 -7.081 -1.312 -14.004 1.00 0.00 C ATOM 106 C GLN A 33 -6.549 -1.200 -12.581 1.00 0.00 C ATOM 107 O GLN A 33 -6.483 -0.108 -12.018 1.00 0.00 O ATOM 108 CB GLN A 33 -8.584 -1.595 -13.982 1.00 0.00 C ATOM 109 CG GLN A 33 -9.388 -0.537 -13.250 1.00 0.00 C ATOM 110 CD GLN A 33 -10.874 -0.839 -13.235 1.00 0.00 C ATOM 111 OE1 GLN A 33 -11.509 -0.946 -14.284 1.00 0.00 O ATOM 112 NE2 GLN A 33 -11.437 -0.976 -12.039 1.00 0.00 N ATOM 0 HA GLN A 33 -6.901 -0.363 -14.510 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.946 -1.671 -15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.757 -2.562 -13.510 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.027 -0.457 -12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.223 0.431 -13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.872 -0.879 -11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.434 -1.178 -11.965 1.00 0.00 H new ATOM 121 N LEU A 34 -6.174 -2.339 -12.004 1.00 0.00 N ATOM 122 CA LEU A 34 -5.651 -2.368 -10.642 1.00 0.00 C ATOM 123 C LEU A 34 -4.457 -1.429 -10.499 1.00 0.00 C ATOM 124 O LEU A 34 -4.429 -0.581 -9.610 1.00 0.00 O ATOM 125 CB LEU A 34 -5.239 -3.794 -10.263 1.00 0.00 C ATOM 126 CG LEU A 34 -4.701 -3.962 -8.840 1.00 0.00 C ATOM 127 CD1 LEU A 34 -5.732 -3.508 -7.819 1.00 0.00 C ATOM 128 CD2 LEU A 34 -4.305 -5.407 -8.587 1.00 0.00 C ATOM 0 H LEU A 34 -6.223 -3.251 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.439 -2.032 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.101 -4.449 -10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.477 -4.133 -10.965 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.815 -3.337 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.330 -3.636 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.969 -2.457 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.637 -4.105 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.925 -5.507 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.176 -6.050 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.530 -5.701 -9.295 1.00 0.00 H new ATOM 140 N ARG A 35 -3.475 -1.587 -11.381 1.00 0.00 N ATOM 141 CA ARG A 35 -2.278 -0.754 -11.354 1.00 0.00 C ATOM 142 C ARG A 35 -2.595 0.681 -11.770 1.00 0.00 C ATOM 143 O ARG A 35 -2.144 1.634 -11.135 1.00 0.00 O ATOM 144 CB ARG A 35 -1.206 -1.338 -12.273 1.00 0.00 C ATOM 145 CG ARG A 35 0.080 -0.527 -12.303 1.00 0.00 C ATOM 146 CD ARG A 35 1.121 -1.175 -13.202 1.00 0.00 C ATOM 147 NE ARG A 35 2.347 -0.386 -13.280 1.00 0.00 N ATOM 148 CZ ARG A 35 3.405 -0.738 -14.006 1.00 0.00 C ATOM 149 NH1 ARG A 35 3.386 -1.862 -14.710 1.00 0.00 N ATOM 150 NH2 ARG A 35 4.483 0.034 -14.029 1.00 0.00 N ATOM 0 H ARG A 35 -3.485 -2.285 -12.124 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.903 -0.738 -10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.977 -2.354 -11.950 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.605 -1.407 -13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.132 0.482 -12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.477 -0.433 -11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.355 -2.171 -12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.707 -1.301 -14.203 1.00 0.00 H new ATOM 0 HE ARG A 35 2.395 0.483 -12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.559 -2.459 -14.696 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.198 -2.129 -15.266 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.502 0.899 -13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.293 -0.238 -14.586 1.00 0.00 H new ATOM 164 N VAL A 36 -3.373 0.823 -12.838 1.00 0.00 N ATOM 165 CA VAL A 36 -3.753 2.138 -13.345 1.00 0.00 C ATOM 166 C VAL A 36 -4.399 2.982 -12.250 1.00 0.00 C ATOM 167 O VAL A 36 -4.257 4.204 -12.229 1.00 0.00 O ATOM 168 CB VAL A 36 -4.728 2.022 -14.534 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.142 3.401 -15.027 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.105 1.212 -15.661 1.00 0.00 C ATOM 0 H VAL A 36 -3.754 0.041 -13.371 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.838 2.625 -13.683 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.622 1.500 -14.193 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.830 3.296 -15.866 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.634 3.943 -14.220 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.259 3.953 -15.349 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.809 1.142 -16.491 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.192 1.702 -16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.867 0.211 -15.301 1.00 0.00 H new ATOM 180 N TRP A 37 -5.112 2.319 -11.347 1.00 0.00 N ATOM 181 CA TRP A 37 -5.790 3.000 -10.249 1.00 0.00 C ATOM 182 C TRP A 37 -4.816 3.831 -9.411 1.00 0.00 C ATOM 183 O TRP A 37 -4.957 5.050 -9.319 1.00 0.00 O ATOM 184 CB TRP A 37 -6.529 1.966 -9.376 1.00 0.00 C ATOM 185 CG TRP A 37 -6.487 2.233 -7.893 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.600 3.438 -7.257 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.327 1.255 -6.861 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.477 3.269 -5.902 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.325 1.936 -5.632 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.178 -0.134 -6.860 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.180 1.278 -4.413 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.037 -0.788 -5.651 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.040 -0.083 -4.442 1.00 0.00 C ATOM 0 H TRP A 37 -5.236 1.307 -11.353 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.517 3.694 -10.671 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.571 1.925 -9.693 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.100 0.982 -9.564 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.762 4.385 -7.750 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.496 4.016 -5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.173 -0.687 -7.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.178 1.822 -3.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.922 -1.862 -5.639 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.930 -0.624 -3.514 1.00 0.00 H new ATOM 204 N ILE A 38 -3.849 3.170 -8.782 1.00 0.00 N ATOM 205 CA ILE A 38 -2.886 3.867 -7.933 1.00 0.00 C ATOM 206 C ILE A 38 -2.084 4.894 -8.726 1.00 0.00 C ATOM 207 O ILE A 38 -1.871 6.015 -8.265 1.00 0.00 O ATOM 208 CB ILE A 38 -1.911 2.895 -7.244 1.00 0.00 C ATOM 209 CG1 ILE A 38 -2.666 1.776 -6.522 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.011 3.641 -6.272 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.934 0.571 -7.395 1.00 0.00 C ATOM 0 H ILE A 38 -3.711 2.161 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.471 4.377 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.290 2.440 -8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.091 1.463 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.615 2.167 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.329 2.938 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.437 4.394 -6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.621 4.128 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.472 -0.183 -6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.536 0.870 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.988 0.156 -7.742 1.00 0.00 H new ATOM 223 N GLU A 39 -1.640 4.505 -9.918 1.00 0.00 N ATOM 224 CA GLU A 39 -0.859 5.395 -10.769 1.00 0.00 C ATOM 225 C GLU A 39 -1.613 6.695 -11.034 1.00 0.00 C ATOM 226 O GLU A 39 -1.045 7.783 -10.951 1.00 0.00 O ATOM 227 CB GLU A 39 -0.526 4.705 -12.093 1.00 0.00 C ATOM 228 CG GLU A 39 0.291 3.435 -11.929 1.00 0.00 C ATOM 229 CD GLU A 39 0.588 2.755 -13.251 1.00 0.00 C ATOM 230 OE1 GLU A 39 -0.374 2.385 -13.958 1.00 0.00 O ATOM 231 OE2 GLU A 39 1.781 2.594 -13.582 1.00 0.00 O ATOM 0 H GLU A 39 -1.808 3.581 -10.315 1.00 0.00 H new ATOM 0 HA GLU A 39 0.068 5.634 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.454 4.465 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.023 5.401 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.230 3.674 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.247 2.743 -11.282 1.00 0.00 H new ATOM 238 N GLY A 40 -2.896 6.570 -11.352 1.00 0.00 N ATOM 239 CA GLY A 40 -3.714 7.736 -11.623 1.00 0.00 C ATOM 240 C GLY A 40 -3.947 8.585 -10.387 1.00 0.00 C ATOM 241 O GLY A 40 -4.025 9.811 -10.474 1.00 0.00 O ATOM 0 H GLY A 40 -3.385 5.678 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.233 8.342 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.675 7.416 -12.026 1.00 0.00 H new ATOM 245 N ALA A 41 -4.072 7.928 -9.238 1.00 0.00 N ATOM 246 CA ALA A 41 -4.312 8.622 -7.976 1.00 0.00 C ATOM 247 C ALA A 41 -3.270 9.708 -7.724 1.00 0.00 C ATOM 248 O ALA A 41 -3.603 10.891 -7.641 1.00 0.00 O ATOM 249 CB ALA A 41 -4.317 7.626 -6.826 1.00 0.00 C ATOM 0 H ALA A 41 -4.011 6.913 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.287 9.105 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.497 8.153 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.105 6.890 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.353 7.120 -6.779 1.00 0.00 H new ATOM 255 N THR A 42 -2.012 9.301 -7.601 1.00 0.00 N ATOM 256 CA THR A 42 -0.926 10.243 -7.356 1.00 0.00 C ATOM 257 C THR A 42 -0.182 10.583 -8.643 1.00 0.00 C ATOM 258 O THR A 42 -0.168 11.734 -9.081 1.00 0.00 O ATOM 259 CB THR A 42 0.078 9.680 -6.331 1.00 0.00 C ATOM 260 OG1 THR A 42 0.533 8.387 -6.751 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.556 9.578 -4.951 1.00 0.00 C ATOM 0 H THR A 42 -1.719 8.326 -7.667 1.00 0.00 H new ATOM 0 HA THR A 42 -1.380 11.150 -6.957 1.00 0.00 H new ATOM 0 HB THR A 42 0.926 10.362 -6.273 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.172 8.036 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.172 9.178 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.874 10.567 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.420 8.915 -4.996 1.00 0.00 H new ATOM 269 N GLY A 43 0.439 9.573 -9.236 1.00 0.00 N ATOM 270 CA GLY A 43 1.188 9.768 -10.462 1.00 0.00 C ATOM 271 C GLY A 43 2.239 8.696 -10.642 1.00 0.00 C ATOM 272 O GLY A 43 2.593 8.335 -11.764 1.00 0.00 O ATOM 0 H GLY A 43 0.437 8.615 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.506 9.758 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.665 10.748 -10.447 1.00 0.00 H new ATOM 276 N ARG A 44 2.740 8.196 -9.517 1.00 0.00 N ATOM 277 CA ARG A 44 3.764 7.162 -9.515 1.00 0.00 C ATOM 278 C ARG A 44 3.311 5.942 -10.310 1.00 0.00 C ATOM 279 O ARG A 44 2.200 5.447 -10.124 1.00 0.00 O ATOM 280 CB ARG A 44 4.077 6.749 -8.075 1.00 0.00 C ATOM 281 CG ARG A 44 4.274 7.925 -7.133 1.00 0.00 C ATOM 282 CD ARG A 44 5.401 8.827 -7.598 1.00 0.00 C ATOM 283 NE ARG A 44 6.665 8.105 -7.725 1.00 0.00 N ATOM 284 CZ ARG A 44 7.803 8.674 -8.113 1.00 0.00 C ATOM 285 NH1 ARG A 44 7.835 9.966 -8.410 1.00 0.00 N ATOM 286 NH2 ARG A 44 8.910 7.949 -8.203 1.00 0.00 N ATOM 0 H ARG A 44 2.448 8.495 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 44 4.660 7.566 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.265 6.126 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.978 6.135 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.350 8.499 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.491 7.557 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.138 9.269 -8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.522 9.648 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 44 6.675 7.109 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.985 10.526 -8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.709 10.399 -8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.889 6.955 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.783 8.385 -8.501 1.00 0.00 H new ATOM 300 N ARG A 45 4.180 5.457 -11.191 1.00 0.00 N ATOM 301 CA ARG A 45 3.867 4.291 -12.008 1.00 0.00 C ATOM 302 C ARG A 45 4.099 3.001 -11.224 1.00 0.00 C ATOM 303 O ARG A 45 4.230 1.929 -11.811 1.00 0.00 O ATOM 304 CB ARG A 45 4.720 4.290 -13.277 1.00 0.00 C ATOM 305 CG ARG A 45 4.517 5.519 -14.151 1.00 0.00 C ATOM 306 CD ARG A 45 3.090 5.607 -14.672 1.00 0.00 C ATOM 307 NE ARG A 45 2.734 4.454 -15.493 1.00 0.00 N ATOM 308 CZ ARG A 45 1.546 4.296 -16.068 1.00 0.00 C ATOM 309 NH1 ARG A 45 0.603 5.216 -15.913 1.00 0.00 N ATOM 310 NH2 ARG A 45 1.300 3.218 -16.800 1.00 0.00 N ATOM 0 H ARG A 45 5.105 5.853 -11.357 1.00 0.00 H new ATOM 0 HA ARG A 45 2.814 4.343 -12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.771 4.223 -12.997 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.488 3.398 -13.860 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.752 6.416 -13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.210 5.487 -14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.401 5.679 -13.830 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.974 6.519 -15.258 1.00 0.00 H new ATOM 0 HE ARG A 45 3.437 3.728 -15.634 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.789 6.047 -15.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.308 5.092 -16.355 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.023 2.509 -16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.388 3.098 -17.241 1.00 0.00 H new ATOM 324 N ILE A 46 4.137 3.121 -9.897 1.00 0.00 N ATOM 325 CA ILE A 46 4.346 1.982 -9.009 1.00 0.00 C ATOM 326 C ILE A 46 5.632 1.233 -9.348 1.00 0.00 C ATOM 327 O ILE A 46 6.646 1.377 -8.664 1.00 0.00 O ATOM 328 CB ILE A 46 3.155 1.008 -9.069 1.00 0.00 C ATOM 329 CG1 ILE A 46 1.886 1.687 -8.545 1.00 0.00 C ATOM 330 CG2 ILE A 46 3.454 -0.258 -8.277 1.00 0.00 C ATOM 331 CD1 ILE A 46 0.651 0.816 -8.627 1.00 0.00 C ATOM 0 H ILE A 46 4.024 4.010 -9.410 1.00 0.00 H new ATOM 0 HA ILE A 46 4.432 2.380 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 46 2.992 0.726 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.044 1.981 -7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.713 2.601 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.599 -0.932 -8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.332 -0.750 -8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.645 0.001 -7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.207 1.364 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.467 0.543 -9.666 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.803 -0.087 -8.036 1.00 0.00 H new ATOM 343 N GLY A 47 5.578 0.431 -10.402 1.00 0.00 N ATOM 344 CA GLY A 47 6.735 -0.338 -10.820 1.00 0.00 C ATOM 345 C GLY A 47 6.350 -1.528 -11.675 1.00 0.00 C ATOM 346 O GLY A 47 5.310 -2.146 -11.449 1.00 0.00 O ATOM 0 H GLY A 47 4.748 0.298 -10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.414 0.305 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.277 -0.685 -9.940 1.00 0.00 H new ATOM 350 N ASP A 48 7.184 -1.852 -12.659 1.00 0.00 N ATOM 351 CA ASP A 48 6.912 -2.982 -13.543 1.00 0.00 C ATOM 352 C ASP A 48 6.699 -4.254 -12.727 1.00 0.00 C ATOM 353 O ASP A 48 5.858 -5.087 -13.065 1.00 0.00 O ATOM 354 CB ASP A 48 8.054 -3.170 -14.547 1.00 0.00 C ATOM 355 CG ASP A 48 9.370 -3.531 -13.887 1.00 0.00 C ATOM 356 OD1 ASP A 48 9.467 -4.639 -13.322 1.00 0.00 O ATOM 357 OD2 ASP A 48 10.303 -2.702 -13.934 1.00 0.00 O ATOM 0 H ASP A 48 8.049 -1.352 -12.864 1.00 0.00 H new ATOM 0 HA ASP A 48 6.000 -2.772 -14.101 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.782 -3.953 -15.255 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.181 -2.252 -15.120 1.00 0.00 H new ATOM 362 N ASN A 49 7.458 -4.388 -11.642 1.00 0.00 N ATOM 363 CA ASN A 49 7.345 -5.549 -10.765 1.00 0.00 C ATOM 364 C ASN A 49 5.963 -5.597 -10.122 1.00 0.00 C ATOM 365 O ASN A 49 5.443 -6.674 -9.828 1.00 0.00 O ATOM 366 CB ASN A 49 8.419 -5.506 -9.676 1.00 0.00 C ATOM 367 CG ASN A 49 9.825 -5.458 -10.240 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.207 -4.498 -10.907 1.00 0.00 O ATOM 369 ND2 ASN A 49 10.605 -6.501 -9.974 1.00 0.00 N ATOM 0 H ASN A 49 8.158 -3.706 -11.350 1.00 0.00 H new ATOM 0 HA ASN A 49 7.489 -6.446 -11.368 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.255 -4.632 -9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.318 -6.384 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.561 -6.526 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.247 -7.276 -9.416 1.00 0.00 H new ATOM 376 N PHE A 50 5.387 -4.413 -9.907 1.00 0.00 N ATOM 377 CA PHE A 50 4.064 -4.271 -9.297 1.00 0.00 C ATOM 378 C PHE A 50 4.137 -4.452 -7.782 1.00 0.00 C ATOM 379 O PHE A 50 3.578 -3.655 -7.029 1.00 0.00 O ATOM 380 CB PHE A 50 3.073 -5.270 -9.906 1.00 0.00 C ATOM 381 CG PHE A 50 1.635 -5.001 -9.554 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.101 -3.728 -9.688 1.00 0.00 C ATOM 383 CD2 PHE A 50 0.816 -6.022 -9.100 1.00 0.00 C ATOM 384 CE1 PHE A 50 -0.223 -3.481 -9.373 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.509 -5.781 -8.787 1.00 0.00 C ATOM 386 CZ PHE A 50 -1.029 -4.508 -8.923 1.00 0.00 C ATOM 0 H PHE A 50 5.825 -3.525 -10.151 1.00 0.00 H new ATOM 0 HA PHE A 50 3.709 -3.262 -9.504 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.179 -5.255 -10.991 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.336 -6.274 -9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.726 -2.921 -10.042 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.217 -7.018 -8.989 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.626 -2.485 -9.479 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.137 -6.587 -8.437 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.063 -4.317 -8.678 1.00 0.00 H new ATOM 396 N MET A 51 4.832 -5.495 -7.338 1.00 0.00 N ATOM 397 CA MET A 51 4.980 -5.766 -5.910 1.00 0.00 C ATOM 398 C MET A 51 6.174 -5.014 -5.346 1.00 0.00 C ATOM 399 O MET A 51 6.072 -4.323 -4.332 1.00 0.00 O ATOM 400 CB MET A 51 5.165 -7.261 -5.671 1.00 0.00 C ATOM 401 CG MET A 51 4.148 -8.109 -6.399 1.00 0.00 C ATOM 402 SD MET A 51 2.459 -7.721 -5.909 1.00 0.00 S ATOM 403 CE MET A 51 1.554 -8.919 -6.878 1.00 0.00 C ATOM 0 H MET A 51 5.302 -6.167 -7.945 1.00 0.00 H new ATOM 0 HA MET A 51 4.075 -5.429 -5.405 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.166 -7.552 -5.989 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.099 -7.463 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.256 -7.960 -7.473 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.348 -9.162 -6.202 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.119 -8.429 -7.749 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.231 -9.708 -7.206 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.759 -9.352 -6.271 1.00 0.00 H new ATOM 413 N ASP A 52 7.309 -5.168 -6.016 1.00 0.00 N ATOM 414 CA ASP A 52 8.544 -4.521 -5.603 1.00 0.00 C ATOM 415 C ASP A 52 8.354 -3.015 -5.443 1.00 0.00 C ATOM 416 O ASP A 52 8.921 -2.400 -4.540 1.00 0.00 O ATOM 417 CB ASP A 52 9.644 -4.807 -6.621 1.00 0.00 C ATOM 418 CG ASP A 52 9.960 -6.286 -6.731 1.00 0.00 C ATOM 419 OD1 ASP A 52 9.045 -7.066 -7.071 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.123 -6.666 -6.479 1.00 0.00 O ATOM 0 H ASP A 52 7.398 -5.741 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 52 8.834 -4.927 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.339 -4.430 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.547 -4.265 -6.338 1.00 0.00 H new ATOM 425 N GLY A 53 7.551 -2.424 -6.321 1.00 0.00 N ATOM 426 CA GLY A 53 7.301 -0.996 -6.249 1.00 0.00 C ATOM 427 C GLY A 53 6.560 -0.605 -4.984 1.00 0.00 C ATOM 428 O GLY A 53 6.875 0.406 -4.357 1.00 0.00 O ATOM 0 H GLY A 53 7.070 -2.907 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.249 -0.461 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.720 -0.687 -7.118 1.00 0.00 H new ATOM 432 N LEU A 54 5.571 -1.412 -4.614 1.00 0.00 N ATOM 433 CA LEU A 54 4.766 -1.163 -3.421 1.00 0.00 C ATOM 434 C LEU A 54 5.609 -1.243 -2.149 1.00 0.00 C ATOM 435 O LEU A 54 5.244 -0.679 -1.117 1.00 0.00 O ATOM 436 CB LEU A 54 3.622 -2.176 -3.341 1.00 0.00 C ATOM 437 CG LEU A 54 2.676 -2.190 -4.545 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.655 -3.308 -4.404 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.976 -0.849 -4.693 1.00 0.00 C ATOM 0 H LEU A 54 5.305 -2.252 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 54 4.361 -0.154 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.048 -3.172 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.039 -1.970 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 54 3.267 -2.369 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.990 -3.305 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.171 -4.267 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.071 -3.155 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.309 -0.880 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.398 -0.639 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.719 -0.065 -4.838 1.00 0.00 H new ATOM 451 N LYS A 55 6.722 -1.967 -2.225 1.00 0.00 N ATOM 452 CA LYS A 55 7.607 -2.148 -1.076 1.00 0.00 C ATOM 453 C LYS A 55 7.950 -0.821 -0.400 1.00 0.00 C ATOM 454 O LYS A 55 7.981 -0.737 0.828 1.00 0.00 O ATOM 455 CB LYS A 55 8.894 -2.853 -1.506 1.00 0.00 C ATOM 456 CG LYS A 55 8.653 -4.154 -2.253 1.00 0.00 C ATOM 457 CD LYS A 55 9.961 -4.830 -2.632 1.00 0.00 C ATOM 458 CE LYS A 55 10.624 -5.467 -1.428 1.00 0.00 C ATOM 459 NZ LYS A 55 11.952 -6.049 -1.766 1.00 0.00 N ATOM 0 H LYS A 55 7.034 -2.440 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 55 7.073 -2.763 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.472 -2.181 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.499 -3.057 -0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.061 -4.827 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.071 -3.956 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.773 -5.590 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.636 -4.098 -3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.744 -4.720 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.977 -6.248 -1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.371 -6.475 -0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.835 -6.780 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.579 -5.300 -2.123 1.00 0.00 H new ATOM 473 N ASP A 56 8.217 0.212 -1.197 1.00 0.00 N ATOM 474 CA ASP A 56 8.566 1.520 -0.649 1.00 0.00 C ATOM 475 C ASP A 56 7.492 2.013 0.320 1.00 0.00 C ATOM 476 O ASP A 56 7.794 2.693 1.302 1.00 0.00 O ATOM 477 CB ASP A 56 8.799 2.542 -1.768 1.00 0.00 C ATOM 478 CG ASP A 56 7.578 2.763 -2.642 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.551 2.092 -2.416 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.653 3.607 -3.560 1.00 0.00 O ATOM 0 H ASP A 56 8.199 0.169 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 56 9.497 1.410 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.098 3.493 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.628 2.206 -2.391 1.00 0.00 H new ATOM 485 N GLY A 57 6.239 1.651 0.049 1.00 0.00 N ATOM 486 CA GLY A 57 5.143 2.049 0.917 1.00 0.00 C ATOM 487 C GLY A 57 4.708 3.491 0.726 1.00 0.00 C ATOM 488 O GLY A 57 3.533 3.808 0.892 1.00 0.00 O ATOM 0 H GLY A 57 5.964 1.089 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.291 1.394 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.441 1.903 1.955 1.00 0.00 H new ATOM 492 N VAL A 58 5.654 4.364 0.401 1.00 0.00 N ATOM 493 CA VAL A 58 5.365 5.783 0.210 1.00 0.00 C ATOM 494 C VAL A 58 4.210 6.010 -0.756 1.00 0.00 C ATOM 495 O VAL A 58 3.260 6.714 -0.431 1.00 0.00 O ATOM 496 CB VAL A 58 6.593 6.536 -0.325 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.278 8.013 -0.516 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.775 6.354 0.610 1.00 0.00 C ATOM 0 H VAL A 58 6.633 4.114 0.263 1.00 0.00 H new ATOM 0 HA VAL A 58 5.090 6.166 1.193 1.00 0.00 H new ATOM 0 HB VAL A 58 6.857 6.118 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.161 8.527 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.461 8.121 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.986 8.449 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.637 6.894 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.522 6.744 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.016 5.294 0.690 1.00 0.00 H new ATOM 508 N ILE A 59 4.303 5.429 -1.948 1.00 0.00 N ATOM 509 CA ILE A 59 3.261 5.597 -2.955 1.00 0.00 C ATOM 510 C ILE A 59 1.898 5.192 -2.406 1.00 0.00 C ATOM 511 O ILE A 59 0.948 5.972 -2.458 1.00 0.00 O ATOM 512 CB ILE A 59 3.567 4.778 -4.225 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.939 5.167 -4.784 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.478 4.992 -5.269 1.00 0.00 C ATOM 515 CD1 ILE A 59 5.343 4.379 -6.011 1.00 0.00 C ATOM 0 H ILE A 59 5.084 4.841 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 59 3.240 6.655 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 59 3.587 3.719 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.933 6.229 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.691 5.025 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.708 4.407 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.518 4.673 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.428 6.049 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.325 4.710 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.383 3.318 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.613 4.541 -6.804 1.00 0.00 H new ATOM 527 N LEU A 60 1.809 3.982 -1.860 1.00 0.00 N ATOM 528 CA LEU A 60 0.558 3.510 -1.283 1.00 0.00 C ATOM 529 C LEU A 60 0.156 4.427 -0.138 1.00 0.00 C ATOM 530 O LEU A 60 -1.025 4.688 0.084 1.00 0.00 O ATOM 531 CB LEU A 60 0.691 2.065 -0.798 1.00 0.00 C ATOM 532 CG LEU A 60 0.899 1.034 -1.909 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.021 -0.365 -1.323 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.244 1.096 -2.915 1.00 0.00 C ATOM 0 H LEU A 60 2.581 3.318 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.217 3.530 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.529 2.005 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.206 1.800 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 60 1.828 1.270 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.168 -1.085 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.872 -0.402 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.110 -0.612 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.080 0.356 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.186 0.886 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.285 2.091 -3.359 1.00 0.00 H new ATOM 546 N CYS A 61 1.163 4.938 0.558 1.00 0.00 N ATOM 547 CA CYS A 61 0.953 5.865 1.659 1.00 0.00 C ATOM 548 C CYS A 61 0.363 7.163 1.123 1.00 0.00 C ATOM 549 O CYS A 61 -0.483 7.790 1.757 1.00 0.00 O ATOM 550 CB CYS A 61 2.279 6.134 2.380 1.00 0.00 C ATOM 551 SG CYS A 61 2.309 7.671 3.329 1.00 0.00 S ATOM 0 H CYS A 61 2.143 4.722 0.376 1.00 0.00 H new ATOM 0 HA CYS A 61 0.256 5.428 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.490 5.302 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.082 6.160 1.643 1.00 0.00 H new ATOM 0 HG CYS A 61 3.437 7.764 3.969 1.00 0.00 H new ATOM 557 N GLU A 62 0.818 7.543 -0.064 1.00 0.00 N ATOM 558 CA GLU A 62 0.355 8.749 -0.731 1.00 0.00 C ATOM 559 C GLU A 62 -1.100 8.602 -1.168 1.00 0.00 C ATOM 560 O GLU A 62 -1.890 9.541 -1.066 1.00 0.00 O ATOM 561 CB GLU A 62 1.245 9.031 -1.945 1.00 0.00 C ATOM 562 CG GLU A 62 2.676 9.386 -1.578 1.00 0.00 C ATOM 563 CD GLU A 62 3.516 9.748 -2.786 1.00 0.00 C ATOM 564 OE1 GLU A 62 3.160 10.716 -3.490 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.533 9.062 -3.030 1.00 0.00 O ATOM 0 H GLU A 62 1.519 7.022 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 62 0.415 9.584 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.251 8.154 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.812 9.849 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.671 10.223 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.134 8.543 -1.061 1.00 0.00 H new ATOM 572 N LEU A 63 -1.440 7.417 -1.662 1.00 0.00 N ATOM 573 CA LEU A 63 -2.790 7.127 -2.129 1.00 0.00 C ATOM 574 C LEU A 63 -3.782 6.992 -0.976 1.00 0.00 C ATOM 575 O LEU A 63 -4.881 7.544 -1.028 1.00 0.00 O ATOM 576 CB LEU A 63 -2.781 5.845 -2.963 1.00 0.00 C ATOM 577 CG LEU A 63 -4.151 5.230 -3.235 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.073 6.234 -3.911 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.012 3.974 -4.078 1.00 0.00 C ATOM 0 H LEU A 63 -0.792 6.634 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.116 7.968 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.301 6.057 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.164 5.105 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.597 4.955 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.043 5.771 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.201 7.102 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.636 6.548 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.998 3.549 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.541 4.224 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.396 3.247 -3.549 1.00 0.00 H new ATOM 591 N ILE A 64 -3.402 6.242 0.055 1.00 0.00 N ATOM 592 CA ILE A 64 -4.280 6.026 1.200 1.00 0.00 C ATOM 593 C ILE A 64 -4.717 7.345 1.827 1.00 0.00 C ATOM 594 O ILE A 64 -5.865 7.485 2.240 1.00 0.00 O ATOM 595 CB ILE A 64 -3.620 5.139 2.274 1.00 0.00 C ATOM 596 CG1 ILE A 64 -4.615 4.832 3.393 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.373 5.805 2.834 1.00 0.00 C ATOM 598 CD1 ILE A 64 -5.853 4.096 2.924 1.00 0.00 C ATOM 0 H ILE A 64 -2.497 5.776 0.121 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.159 5.508 0.818 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.321 4.200 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.116 4.235 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.916 5.767 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.925 5.160 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.657 5.972 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.642 6.760 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.511 3.914 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.376 4.700 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.564 3.144 2.478 1.00 0.00 H new ATOM 610 N ASN A 65 -3.808 8.316 1.887 1.00 0.00 N ATOM 611 CA ASN A 65 -4.136 9.618 2.455 1.00 0.00 C ATOM 612 C ASN A 65 -5.238 10.288 1.642 1.00 0.00 C ATOM 613 O ASN A 65 -6.114 10.953 2.194 1.00 0.00 O ATOM 614 CB ASN A 65 -2.899 10.518 2.518 1.00 0.00 C ATOM 615 CG ASN A 65 -1.949 10.116 3.630 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.331 10.064 4.799 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.701 9.837 3.275 1.00 0.00 N ATOM 0 H ASN A 65 -2.849 8.226 1.553 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.494 9.463 3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.375 10.478 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.212 11.551 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.018 9.567 3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.425 9.892 2.295 1.00 0.00 H new ATOM 624 N LYS A 66 -5.194 10.097 0.326 1.00 0.00 N ATOM 625 CA LYS A 66 -6.188 10.662 -0.563 1.00 0.00 C ATOM 626 C LYS A 66 -7.558 10.063 -0.273 1.00 0.00 C ATOM 627 O LYS A 66 -8.542 10.778 -0.085 1.00 0.00 O ATOM 628 CB LYS A 66 -5.792 10.371 -2.008 1.00 0.00 C ATOM 629 CG LYS A 66 -4.411 10.873 -2.382 1.00 0.00 C ATOM 630 CD LYS A 66 -4.310 12.379 -2.236 1.00 0.00 C ATOM 631 CE LYS A 66 -2.956 12.883 -2.697 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.835 14.361 -2.560 1.00 0.00 N ATOM 0 H LYS A 66 -4.473 9.550 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.239 11.739 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.834 9.295 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.525 10.826 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.664 10.394 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.186 10.590 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.097 12.857 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.470 12.658 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.172 12.399 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.800 12.601 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.895 14.664 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.567 14.824 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.958 14.628 -1.563 1.00 0.00 H new ATOM 646 N LEU A 67 -7.597 8.737 -0.237 1.00 0.00 N ATOM 647 CA LEU A 67 -8.825 8.000 0.031 1.00 0.00 C ATOM 648 C LEU A 67 -9.307 8.247 1.457 1.00 0.00 C ATOM 649 O LEU A 67 -10.508 8.265 1.728 1.00 0.00 O ATOM 650 CB LEU A 67 -8.584 6.507 -0.187 1.00 0.00 C ATOM 651 CG LEU A 67 -8.025 6.141 -1.565 1.00 0.00 C ATOM 652 CD1 LEU A 67 -7.799 4.640 -1.667 1.00 0.00 C ATOM 653 CD2 LEU A 67 -8.958 6.619 -2.668 1.00 0.00 C ATOM 0 H LEU A 67 -6.782 8.144 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.597 8.349 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.893 6.150 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.524 5.976 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.065 6.643 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.402 4.398 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.088 4.326 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.745 4.119 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.542 6.349 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.934 6.149 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.067 7.702 -2.609 1.00 0.00 H new ATOM 665 N GLN A 68 -8.354 8.432 2.362 1.00 0.00 N ATOM 666 CA GLN A 68 -8.656 8.675 3.766 1.00 0.00 C ATOM 667 C GLN A 68 -7.713 9.733 4.343 1.00 0.00 C ATOM 668 O GLN A 68 -6.504 9.524 4.421 1.00 0.00 O ATOM 669 CB GLN A 68 -8.531 7.373 4.563 1.00 0.00 C ATOM 670 CG GLN A 68 -8.788 7.536 6.053 1.00 0.00 C ATOM 671 CD GLN A 68 -8.584 6.250 6.836 1.00 0.00 C ATOM 672 OE1 GLN A 68 -8.161 5.190 6.153 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.800 6.211 8.047 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.357 8.418 2.145 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.679 9.043 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.234 6.643 4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.531 6.965 4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.124 8.305 6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.808 7.888 6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.124 7.046 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.655 5.343 8.563 1.00 0.00 H new ATOM 682 N PRO A 69 -8.263 10.891 4.741 1.00 0.00 N ATOM 683 CA PRO A 69 -7.477 11.996 5.300 1.00 0.00 C ATOM 684 C PRO A 69 -6.624 11.584 6.498 1.00 0.00 C ATOM 685 O PRO A 69 -7.113 10.956 7.438 1.00 0.00 O ATOM 686 CB PRO A 69 -8.545 12.997 5.740 1.00 0.00 C ATOM 687 CG PRO A 69 -9.724 12.702 4.894 1.00 0.00 C ATOM 688 CD PRO A 69 -9.693 11.224 4.657 1.00 0.00 C ATOM 0 HA PRO A 69 -6.765 12.384 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.781 12.882 6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.205 14.023 5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.647 12.999 5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.678 13.250 3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.275 10.686 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.109 10.965 3.683 1.00 0.00 H new ATOM 696 N GLY A 70 -5.348 11.967 6.463 1.00 0.00 N ATOM 697 CA GLY A 70 -4.436 11.659 7.553 1.00 0.00 C ATOM 698 C GLY A 70 -4.370 10.183 7.897 1.00 0.00 C ATOM 699 O GLY A 70 -4.450 9.814 9.070 1.00 0.00 O ATOM 0 H GLY A 70 -4.928 12.488 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.437 12.006 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.742 12.216 8.439 1.00 0.00 H new ATOM 703 N SER A 71 -4.213 9.335 6.886 1.00 0.00 N ATOM 704 CA SER A 71 -4.128 7.896 7.113 1.00 0.00 C ATOM 705 C SER A 71 -2.776 7.516 7.712 1.00 0.00 C ATOM 706 O SER A 71 -2.705 6.956 8.807 1.00 0.00 O ATOM 707 CB SER A 71 -4.343 7.134 5.806 1.00 0.00 C ATOM 708 OG SER A 71 -5.652 7.333 5.308 1.00 0.00 O ATOM 0 H SER A 71 -4.142 9.616 5.908 1.00 0.00 H new ATOM 0 HA SER A 71 -4.912 7.624 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.615 7.464 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.171 6.070 5.970 1.00 0.00 H new ATOM 0 HG SER A 71 -5.847 8.293 5.276 1.00 0.00 H new ATOM 714 N VAL A 72 -1.706 7.824 6.984 1.00 0.00 N ATOM 715 CA VAL A 72 -0.353 7.517 7.436 1.00 0.00 C ATOM 716 C VAL A 72 0.175 8.591 8.382 1.00 0.00 C ATOM 717 O VAL A 72 -0.070 9.781 8.186 1.00 0.00 O ATOM 718 CB VAL A 72 0.610 7.360 6.243 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.030 7.093 6.721 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.134 6.244 5.326 1.00 0.00 C ATOM 0 H VAL A 72 -1.751 8.287 6.076 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.404 6.571 7.976 1.00 0.00 H new ATOM 0 HB VAL A 72 0.616 8.294 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.690 6.986 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.369 7.926 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.049 6.175 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.823 6.143 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.099 5.307 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.862 6.481 4.951 1.00 0.00 H new ATOM 730 N GLN A 73 0.895 8.158 9.414 1.00 0.00 N ATOM 731 CA GLN A 73 1.456 9.074 10.402 1.00 0.00 C ATOM 732 C GLN A 73 2.381 10.099 9.749 1.00 0.00 C ATOM 733 O GLN A 73 2.291 11.294 10.033 1.00 0.00 O ATOM 734 CB GLN A 73 2.218 8.293 11.474 1.00 0.00 C ATOM 735 CG GLN A 73 2.826 9.175 12.553 1.00 0.00 C ATOM 736 CD GLN A 73 3.574 8.378 13.604 1.00 0.00 C ATOM 737 OE1 GLN A 73 4.530 7.667 13.297 1.00 0.00 O ATOM 738 NE2 GLN A 73 3.141 8.494 14.854 1.00 0.00 N ATOM 0 H GLN A 73 1.104 7.175 9.588 1.00 0.00 H new ATOM 0 HA GLN A 73 0.629 9.611 10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.541 7.577 11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.011 7.717 10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.507 9.890 12.092 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.036 9.752 13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.344 9.095 15.064 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.605 7.982 15.604 1.00 0.00 H new ATOM 747 N LYS A 74 3.269 9.628 8.877 1.00 0.00 N ATOM 748 CA LYS A 74 4.209 10.514 8.194 1.00 0.00 C ATOM 749 C LYS A 74 4.965 9.776 7.092 1.00 0.00 C ATOM 750 O LYS A 74 5.450 8.663 7.293 1.00 0.00 O ATOM 751 CB LYS A 74 5.202 11.108 9.197 1.00 0.00 C ATOM 752 CG LYS A 74 6.206 12.061 8.568 1.00 0.00 C ATOM 753 CD LYS A 74 7.171 12.622 9.603 1.00 0.00 C ATOM 754 CE LYS A 74 6.447 13.441 10.661 1.00 0.00 C ATOM 755 NZ LYS A 74 5.719 14.596 10.069 1.00 0.00 N ATOM 0 H LYS A 74 3.358 8.643 8.627 1.00 0.00 H new ATOM 0 HA LYS A 74 3.635 11.319 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.649 11.637 9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.741 10.297 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.767 11.540 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.676 12.880 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.708 11.803 10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.915 13.245 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.742 12.803 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.167 13.804 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.427 15.247 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.343 15.096 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.877 14.253 9.563 1.00 0.00 H new ATOM 769 N VAL A 75 5.059 10.410 5.927 1.00 0.00 N ATOM 770 CA VAL A 75 5.753 9.828 4.784 1.00 0.00 C ATOM 771 C VAL A 75 7.267 9.854 4.983 1.00 0.00 C ATOM 772 O VAL A 75 7.821 10.845 5.459 1.00 0.00 O ATOM 773 CB VAL A 75 5.407 10.574 3.481 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.081 9.914 2.289 1.00 0.00 C ATOM 775 CG2 VAL A 75 3.900 10.637 3.286 1.00 0.00 C ATOM 0 H VAL A 75 4.661 11.332 5.750 1.00 0.00 H new ATOM 0 HA VAL A 75 5.419 8.793 4.705 1.00 0.00 H new ATOM 0 HB VAL A 75 5.783 11.594 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.824 10.456 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.162 9.930 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.741 8.882 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.675 11.167 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.498 9.625 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.446 11.163 4.126 1.00 0.00 H new ATOM 785 N ASN A 76 7.930 8.762 4.610 1.00 0.00 N ATOM 786 CA ASN A 76 9.380 8.665 4.743 1.00 0.00 C ATOM 787 C ASN A 76 10.015 8.249 3.419 1.00 0.00 C ATOM 788 O ASN A 76 9.584 7.280 2.795 1.00 0.00 O ATOM 789 CB ASN A 76 9.740 7.644 5.822 1.00 0.00 C ATOM 790 CG ASN A 76 8.954 7.853 7.098 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.079 8.883 7.759 1.00 0.00 O ATOM 792 ND2 ASN A 76 8.130 6.872 7.444 1.00 0.00 N ATOM 0 H ASN A 76 7.486 7.933 4.214 1.00 0.00 H new ATOM 0 HA ASN A 76 9.764 9.645 5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.554 6.639 5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.806 7.710 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.566 6.954 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.060 6.036 6.864 1.00 0.00 H new ATOM 799 N ASP A 77 11.042 8.981 2.998 1.00 0.00 N ATOM 800 CA ASP A 77 11.730 8.675 1.748 1.00 0.00 C ATOM 801 C ASP A 77 12.419 7.313 1.831 1.00 0.00 C ATOM 802 O ASP A 77 13.233 7.079 2.724 1.00 0.00 O ATOM 803 CB ASP A 77 12.759 9.762 1.430 1.00 0.00 C ATOM 804 CG ASP A 77 12.129 11.132 1.270 1.00 0.00 C ATOM 805 OD1 ASP A 77 10.892 11.237 1.401 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.874 12.101 1.012 1.00 0.00 O ATOM 0 H ASP A 77 11.415 9.786 3.501 1.00 0.00 H new ATOM 0 HA ASP A 77 10.989 8.642 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.502 9.798 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.288 9.500 0.513 1.00 0.00 H new ATOM 811 N PRO A 78 12.105 6.391 0.902 1.00 0.00 N ATOM 812 CA PRO A 78 12.704 5.054 0.885 1.00 0.00 C ATOM 813 C PRO A 78 14.166 5.091 0.456 1.00 0.00 C ATOM 814 O PRO A 78 14.487 5.539 -0.645 1.00 0.00 O ATOM 815 CB PRO A 78 11.855 4.280 -0.142 1.00 0.00 C ATOM 816 CG PRO A 78 10.694 5.162 -0.459 1.00 0.00 C ATOM 817 CD PRO A 78 11.152 6.565 -0.201 1.00 0.00 C ATOM 0 HA PRO A 78 12.705 4.595 1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.433 4.058 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.521 3.326 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.383 5.039 -1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.834 4.913 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.624 7.006 -1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.324 7.217 0.077 1.00 0.00 H new ATOM 825 N VAL A 79 15.048 4.613 1.333 1.00 0.00 N ATOM 826 CA VAL A 79 16.482 4.591 1.051 1.00 0.00 C ATOM 827 C VAL A 79 17.173 3.465 1.814 1.00 0.00 C ATOM 828 O VAL A 79 17.754 2.561 1.214 1.00 0.00 O ATOM 829 CB VAL A 79 17.158 5.926 1.437 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.666 5.838 1.251 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.587 7.082 0.629 1.00 0.00 C ATOM 0 H VAL A 79 14.794 4.235 2.246 1.00 0.00 H new ATOM 0 HA VAL A 79 16.585 4.431 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 79 16.950 6.115 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.123 6.788 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.065 5.045 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.892 5.618 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.081 8.009 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.754 6.901 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.517 7.165 0.819 1.00 0.00 H new ATOM 841 N GLN A 80 17.108 3.532 3.140 1.00 0.00 N ATOM 842 CA GLN A 80 17.731 2.525 3.988 1.00 0.00 C ATOM 843 C GLN A 80 16.880 1.256 4.048 1.00 0.00 C ATOM 844 O GLN A 80 16.469 0.732 3.013 1.00 0.00 O ATOM 845 CB GLN A 80 17.967 3.091 5.390 1.00 0.00 C ATOM 846 CG GLN A 80 18.862 4.320 5.397 1.00 0.00 C ATOM 847 CD GLN A 80 19.150 4.831 6.794 1.00 0.00 C ATOM 848 OE1 GLN A 80 18.235 5.173 7.543 1.00 0.00 O ATOM 849 NE2 GLN A 80 20.427 4.890 7.148 1.00 0.00 N ATOM 0 H GLN A 80 16.629 4.275 3.650 1.00 0.00 H new ATOM 0 HA GLN A 80 18.694 2.256 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 80 17.007 3.346 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 80 18.416 2.319 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.803 4.081 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.388 5.112 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 80 21.152 4.596 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.684 5.230 8.075 1.00 0.00 H new ATOM 858 N ASN A 81 16.626 0.759 5.257 1.00 0.00 N ATOM 859 CA ASN A 81 15.831 -0.454 5.426 1.00 0.00 C ATOM 860 C ASN A 81 14.913 -0.353 6.640 1.00 0.00 C ATOM 861 O ASN A 81 14.904 -1.235 7.499 1.00 0.00 O ATOM 862 CB ASN A 81 16.743 -1.676 5.569 1.00 0.00 C ATOM 863 CG ASN A 81 17.626 -1.893 4.354 1.00 0.00 C ATOM 864 OD1 ASN A 81 18.463 -1.054 4.022 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.444 -3.026 3.686 1.00 0.00 N ATOM 0 H ASN A 81 16.957 1.174 6.128 1.00 0.00 H new ATOM 0 HA ASN A 81 15.212 -0.568 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 81 17.370 -1.555 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.132 -2.564 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.010 -3.229 2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.738 -3.694 3.997 1.00 0.00 H new ATOM 872 N TRP A 82 14.129 0.720 6.699 1.00 0.00 N ATOM 873 CA TRP A 82 13.197 0.921 7.801 1.00 0.00 C ATOM 874 C TRP A 82 12.111 1.919 7.414 1.00 0.00 C ATOM 875 O TRP A 82 10.969 1.804 7.857 1.00 0.00 O ATOM 876 CB TRP A 82 13.931 1.373 9.072 1.00 0.00 C ATOM 877 CG TRP A 82 14.444 2.782 9.035 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.730 3.180 8.814 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.688 3.979 9.269 1.00 0.00 C ATOM 880 NE1 TRP A 82 15.818 4.550 8.875 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.579 5.063 9.154 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.344 4.240 9.555 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.169 6.384 9.317 1.00 0.00 C ATOM 884 CZ3 TRP A 82 11.940 5.552 9.717 1.00 0.00 C ATOM 885 CH2 TRP A 82 12.849 6.609 9.596 1.00 0.00 C ATOM 0 H TRP A 82 14.121 1.461 5.998 1.00 0.00 H new ATOM 0 HA TRP A 82 12.719 -0.035 8.016 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.255 1.269 9.921 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.770 0.700 9.249 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.558 2.515 8.619 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.668 5.096 8.735 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.635 3.431 9.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 14.869 7.202 9.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 10.905 5.765 9.941 1.00 0.00 H new ATOM 0 HH2 TRP A 82 12.501 7.623 9.726 1.00 0.00 H new ATOM 896 N HIS A 83 12.466 2.893 6.574 1.00 0.00 N ATOM 897 CA HIS A 83 11.503 3.894 6.126 1.00 0.00 C ATOM 898 C HIS A 83 10.286 3.208 5.517 1.00 0.00 C ATOM 899 O HIS A 83 9.144 3.546 5.831 1.00 0.00 O ATOM 900 CB HIS A 83 12.124 4.826 5.080 1.00 0.00 C ATOM 901 CG HIS A 83 13.419 5.449 5.494 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.584 4.730 5.659 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.736 6.740 5.759 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.561 5.551 6.003 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.072 6.775 6.071 1.00 0.00 N ATOM 0 H HIS A 83 13.406 3.008 6.194 1.00 0.00 H new ATOM 0 HA HIS A 83 11.205 4.484 6.993 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.284 4.263 4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.412 5.618 4.849 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.063 7.584 5.730 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.585 5.268 6.196 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.601 7.612 6.316 1.00 0.00 H new ATOM 914 N LYS A 84 10.547 2.239 4.644 1.00 0.00 N ATOM 915 CA LYS A 84 9.484 1.493 3.980 1.00 0.00 C ATOM 916 C LYS A 84 8.639 0.730 4.993 1.00 0.00 C ATOM 917 O LYS A 84 7.412 0.729 4.916 1.00 0.00 O ATOM 918 CB LYS A 84 10.080 0.515 2.965 1.00 0.00 C ATOM 919 CG LYS A 84 10.949 1.180 1.911 1.00 0.00 C ATOM 920 CD LYS A 84 11.528 0.160 0.944 1.00 0.00 C ATOM 921 CE LYS A 84 12.387 0.823 -0.120 1.00 0.00 C ATOM 922 NZ LYS A 84 12.959 -0.170 -1.071 1.00 0.00 N ATOM 0 H LYS A 84 11.489 1.952 4.380 1.00 0.00 H new ATOM 0 HA LYS A 84 8.844 2.207 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.674 -0.228 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.269 -0.019 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.359 1.912 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.759 1.724 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.126 -0.566 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.717 -0.391 0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.788 1.549 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.196 1.375 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.538 0.323 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.552 -0.848 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.187 -0.679 -1.547 1.00 0.00 H new ATOM 936 N LEU A 85 9.306 0.076 5.937 1.00 0.00 N ATOM 937 CA LEU A 85 8.628 -0.700 6.965 1.00 0.00 C ATOM 938 C LEU A 85 7.605 0.145 7.718 1.00 0.00 C ATOM 939 O LEU A 85 6.544 -0.347 8.103 1.00 0.00 O ATOM 940 CB LEU A 85 9.657 -1.268 7.942 1.00 0.00 C ATOM 941 CG LEU A 85 10.715 -2.179 7.316 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.725 -2.622 8.364 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.062 -3.386 6.661 1.00 0.00 C ATOM 0 H LEU A 85 10.323 0.069 6.010 1.00 0.00 H new ATOM 0 HA LEU A 85 8.094 -1.516 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.162 -0.438 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.130 -1.827 8.715 1.00 0.00 H new ATOM 0 HG LEU A 85 11.242 -1.615 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.470 -3.269 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.218 -1.747 8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.212 -3.168 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.831 -4.022 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.508 -3.951 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.378 -3.051 5.881 1.00 0.00 H new ATOM 955 N GLU A 86 7.933 1.414 7.931 1.00 0.00 N ATOM 956 CA GLU A 86 7.044 2.324 8.647 1.00 0.00 C ATOM 957 C GLU A 86 5.886 2.766 7.759 1.00 0.00 C ATOM 958 O GLU A 86 4.731 2.764 8.187 1.00 0.00 O ATOM 959 CB GLU A 86 7.823 3.539 9.155 1.00 0.00 C ATOM 960 CG GLU A 86 6.980 4.506 9.966 1.00 0.00 C ATOM 961 CD GLU A 86 7.811 5.568 10.661 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.534 6.309 9.963 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.737 5.659 11.905 1.00 0.00 O ATOM 0 H GLU A 86 8.807 1.837 7.619 1.00 0.00 H new ATOM 0 HA GLU A 86 6.630 1.792 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.657 3.195 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.250 4.068 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.256 4.989 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.412 3.949 10.712 1.00 0.00 H new ATOM 970 N ASN A 87 6.197 3.136 6.521 1.00 0.00 N ATOM 971 CA ASN A 87 5.181 3.570 5.578 1.00 0.00 C ATOM 972 C ASN A 87 4.163 2.461 5.337 1.00 0.00 C ATOM 973 O ASN A 87 2.961 2.715 5.257 1.00 0.00 O ATOM 974 CB ASN A 87 5.832 3.977 4.257 1.00 0.00 C ATOM 975 CG ASN A 87 6.743 5.180 4.400 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.326 6.236 4.876 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.991 5.030 3.975 1.00 0.00 N ATOM 0 H ASN A 87 7.147 3.143 6.150 1.00 0.00 H new ATOM 0 HA ASN A 87 4.663 4.430 6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.405 3.137 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.054 4.200 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.648 5.808 4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.294 4.136 3.587 1.00 0.00 H new ATOM 984 N ILE A 88 4.655 1.232 5.222 1.00 0.00 N ATOM 985 CA ILE A 88 3.788 0.083 4.992 1.00 0.00 C ATOM 986 C ILE A 88 2.913 -0.195 6.209 1.00 0.00 C ATOM 987 O ILE A 88 1.729 -0.505 6.077 1.00 0.00 O ATOM 988 CB ILE A 88 4.599 -1.185 4.657 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.469 -0.950 3.420 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.662 -2.365 4.437 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.318 -2.143 3.035 1.00 0.00 C ATOM 0 H ILE A 88 5.648 1.007 5.284 1.00 0.00 H new ATOM 0 HA ILE A 88 3.157 0.333 4.139 1.00 0.00 H new ATOM 0 HB ILE A 88 5.254 -1.415 5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.826 -0.687 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.121 -0.096 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.246 -3.254 4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.081 -2.542 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.987 -2.144 3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.906 -1.900 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.987 -2.394 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.673 -2.994 2.819 1.00 0.00 H new ATOM 1003 N GLY A 89 3.508 -0.087 7.394 1.00 0.00 N ATOM 1004 CA GLY A 89 2.771 -0.334 8.620 1.00 0.00 C ATOM 1005 C GLY A 89 1.552 0.556 8.756 1.00 0.00 C ATOM 1006 O GLY A 89 0.453 0.072 9.021 1.00 0.00 O ATOM 0 H GLY A 89 4.487 0.167 7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.459 -1.378 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.430 -0.175 9.474 1.00 0.00 H new ATOM 1010 N ASN A 90 1.744 1.858 8.572 1.00 0.00 N ATOM 1011 CA ASN A 90 0.646 2.814 8.676 1.00 0.00 C ATOM 1012 C ASN A 90 -0.425 2.530 7.630 1.00 0.00 C ATOM 1013 O ASN A 90 -1.619 2.621 7.908 1.00 0.00 O ATOM 1014 CB ASN A 90 1.165 4.243 8.504 1.00 0.00 C ATOM 1015 CG ASN A 90 2.226 4.606 9.519 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.386 5.024 9.030 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.005 4.520 10.726 1.00 0.00 N flip ATOM 0 H ASN A 90 2.648 2.276 8.350 1.00 0.00 H new ATOM 0 HA ASN A 90 0.204 2.709 9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.574 4.358 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.332 4.940 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.097 4.193 11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.730 4.776 11.397 1.00 0.00 H new ATOM 1024 N PHE A 91 0.016 2.194 6.423 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.896 1.903 5.321 1.00 0.00 C ATOM 1026 C PHE A 91 -1.819 0.733 5.651 1.00 0.00 C ATOM 1027 O PHE A 91 -3.033 0.821 5.473 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.098 1.591 4.053 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.953 1.272 2.858 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.941 2.148 2.441 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.766 0.093 2.153 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.727 1.855 1.342 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.549 -0.205 1.055 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.531 0.677 0.649 1.00 0.00 C ATOM 0 H PHE A 91 1.004 2.116 6.181 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.515 2.785 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.537 2.445 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.563 0.747 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.099 3.070 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.001 -0.600 2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.494 2.547 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.393 -1.127 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.145 0.446 -0.209 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.236 -0.366 6.116 1.00 0.00 N ATOM 1045 CA LEU A 92 -2.005 -1.561 6.451 1.00 0.00 C ATOM 1046 C LEU A 92 -2.909 -1.337 7.657 1.00 0.00 C ATOM 1047 O LEU A 92 -4.082 -1.695 7.630 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.063 -2.733 6.704 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.204 -3.116 5.503 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.808 -4.183 5.885 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.080 -3.593 4.356 1.00 0.00 C ATOM 0 H LEU A 92 -0.232 -0.455 6.270 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.648 -1.791 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.409 -2.485 7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.652 -3.599 7.006 1.00 0.00 H new ATOM 0 HG LEU A 92 0.343 -2.232 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.410 -4.442 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.456 -3.803 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.284 -5.070 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.452 -3.863 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.654 -4.464 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.763 -2.795 4.064 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.366 -0.743 8.712 1.00 0.00 N ATOM 1064 CA ARG A 93 -3.148 -0.476 9.913 1.00 0.00 C ATOM 1065 C ARG A 93 -4.346 0.401 9.575 1.00 0.00 C ATOM 1066 O ARG A 93 -5.459 0.170 10.049 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.287 0.211 10.970 1.00 0.00 C ATOM 1068 CG ARG A 93 -1.105 -0.615 11.428 1.00 0.00 C ATOM 1069 CD ARG A 93 -0.240 0.172 12.385 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.952 0.528 13.611 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.418 -0.364 14.482 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -1.234 -1.661 14.275 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -2.065 0.043 15.566 1.00 0.00 N ATOM 0 H ARG A 93 -1.394 -0.439 8.761 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.502 -1.427 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.923 1.157 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.909 0.448 11.833 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.458 -1.525 11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.514 -0.922 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.644 -0.413 12.638 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.109 1.080 11.893 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.100 1.517 13.811 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.733 -1.979 13.445 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.593 -2.340 14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.205 1.040 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.422 -0.641 16.234 1.00 0.00 H new ATOM 1087 N ALA A 94 -4.098 1.413 8.754 1.00 0.00 N ATOM 1088 CA ALA A 94 -5.139 2.343 8.341 1.00 0.00 C ATOM 1089 C ALA A 94 -6.210 1.659 7.495 1.00 0.00 C ATOM 1090 O ALA A 94 -7.400 1.890 7.696 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.531 3.508 7.577 1.00 0.00 C ATOM 0 H ALA A 94 -3.179 1.611 8.359 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.622 2.717 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.320 4.196 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.820 4.031 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.016 3.134 6.692 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.787 0.831 6.539 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.728 0.136 5.661 1.00 0.00 C ATOM 1099 C ILE A 95 -7.499 -0.957 6.400 1.00 0.00 C ATOM 1100 O ILE A 95 -8.686 -1.165 6.149 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.030 -0.475 4.425 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.022 -1.553 4.839 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.346 0.616 3.614 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.372 -2.254 3.666 1.00 0.00 C ATOM 0 H ILE A 95 -4.805 0.626 6.354 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.433 0.895 5.322 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.789 -0.949 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.247 -1.097 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.528 -2.293 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.858 0.172 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.088 1.342 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.601 1.116 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.671 -3.003 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.139 -2.739 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.838 -1.525 3.057 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.822 -1.650 7.311 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.449 -2.715 8.083 1.00 0.00 C ATOM 1118 C LYS A 96 -8.644 -2.179 8.865 1.00 0.00 C ATOM 1119 O LYS A 96 -9.687 -2.826 8.950 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.432 -3.347 9.040 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.406 -4.237 8.354 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.417 -4.836 9.347 1.00 0.00 C ATOM 1123 CE LYS A 96 -5.115 -5.716 10.372 1.00 0.00 C ATOM 1124 NZ LYS A 96 -4.156 -6.302 11.348 1.00 0.00 N ATOM 0 H LYS A 96 -5.839 -1.492 7.532 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.803 -3.479 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.910 -2.553 9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.967 -3.935 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.919 -5.040 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.864 -3.657 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.672 -5.423 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.883 -4.035 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.862 -5.129 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.647 -6.518 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.672 -6.895 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.458 -6.884 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.667 -5.538 11.856 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.479 -0.988 9.427 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.534 -0.345 10.199 1.00 0.00 C ATOM 1140 C HIS A 97 -10.472 0.433 9.284 1.00 0.00 C ATOM 1141 O HIS A 97 -11.674 0.520 9.535 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.927 0.597 11.238 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.938 1.218 12.151 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.766 0.479 12.969 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -10.253 2.516 12.373 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -11.547 1.296 13.655 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -11.254 2.537 13.311 1.00 0.00 N ATOM 0 H HIS A 97 -7.618 -0.445 9.361 1.00 0.00 H new ATOM 0 HA HIS A 97 -10.106 -1.120 10.708 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.201 0.045 11.836 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.381 1.388 10.723 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.801 3.375 11.900 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -12.296 0.999 14.374 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.700 3.376 13.683 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.902 1.006 8.228 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.670 1.793 7.268 1.00 0.00 C ATOM 1158 C TYR A 98 -11.884 1.020 6.767 1.00 0.00 C ATOM 1159 O TYR A 98 -12.981 1.570 6.661 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.789 2.197 6.082 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.487 3.085 5.073 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.019 4.313 5.448 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.610 2.694 3.746 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.654 5.126 4.528 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.242 3.502 2.820 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.762 4.715 3.216 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.394 5.522 2.296 1.00 0.00 O ATOM 0 H TYR A 98 -8.907 0.940 8.015 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.019 2.690 7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.906 2.715 6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.440 1.296 5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.935 4.637 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.205 1.743 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.063 6.077 4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.328 3.184 1.791 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.003 5.376 1.409 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.684 -0.258 6.460 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.780 -1.076 5.972 1.00 0.00 C ATOM 1179 C GLY A 99 -12.347 -2.473 5.578 1.00 0.00 C ATOM 1180 O GLY A 99 -13.016 -3.452 5.910 1.00 0.00 O ATOM 0 H GLY A 99 -10.788 -0.740 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.547 -1.144 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.236 -0.587 5.111 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.232 -2.567 4.862 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.724 -3.859 4.415 1.00 0.00 C ATOM 1186 C VAL A 100 -10.465 -4.781 5.602 1.00 0.00 C ATOM 1187 O VAL A 100 -9.773 -4.411 6.550 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.424 -3.702 3.603 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.065 -5.016 2.926 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.570 -2.597 2.570 1.00 0.00 C ATOM 0 H VAL A 100 -10.665 -1.768 4.580 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.488 -4.299 3.774 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.620 -3.429 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.145 -4.892 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.922 -5.788 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.871 -5.311 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.642 -2.501 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.385 -2.841 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.788 -1.655 3.073 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.033 -5.982 5.544 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.871 -6.957 6.617 1.00 0.00 C ATOM 1202 C LYS A 101 -9.442 -7.501 6.656 1.00 0.00 C ATOM 1203 O LYS A 101 -8.824 -7.729 5.616 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.877 -8.097 6.451 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.322 -7.624 6.418 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.299 -8.789 6.378 1.00 0.00 C ATOM 1207 CE LYS A 101 -14.259 -9.599 7.664 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.613 -8.774 8.852 1.00 0.00 N ATOM 0 H LYS A 101 -11.609 -6.303 4.766 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.063 -6.456 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.657 -8.635 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.752 -8.805 7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.524 -7.011 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.477 -6.990 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.309 -8.412 6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.061 -9.435 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.950 -10.438 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.262 -10.019 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.839 -9.398 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.809 -8.165 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.439 -8.182 8.630 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.893 -7.696 7.870 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.522 -8.193 8.062 1.00 0.00 C ATOM 1224 C PRO A 102 -7.220 -9.488 7.308 1.00 0.00 C ATOM 1225 O PRO A 102 -6.142 -9.632 6.731 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.441 -8.427 9.571 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.438 -7.485 10.148 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.560 -7.423 9.158 1.00 0.00 C ATOM 0 HA PRO A 102 -6.792 -7.483 7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.677 -9.460 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.439 -8.226 9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.791 -7.835 11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.000 -6.499 10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.330 -8.162 9.377 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.045 -6.447 9.161 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.157 -10.437 7.323 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.944 -11.714 6.641 1.00 0.00 C ATOM 1238 C HIS A 103 -7.973 -11.560 5.119 1.00 0.00 C ATOM 1239 O HIS A 103 -8.168 -12.534 4.391 1.00 0.00 O ATOM 1240 CB HIS A 103 -8.979 -12.753 7.094 1.00 0.00 C ATOM 1241 CG HIS A 103 -10.402 -12.372 6.822 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -11.467 -13.201 7.110 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.939 -11.248 6.290 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -12.593 -12.605 6.764 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -12.300 -11.419 6.265 1.00 0.00 N ATOM 0 H HIS A 103 -9.058 -10.348 7.793 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.950 -12.065 6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.768 -13.699 6.595 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.860 -12.923 8.164 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -11.395 -14.130 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.397 -10.379 5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.585 -13.018 6.871 1.00 0.00 H new ATOM 1254 N ASP A 104 -7.752 -10.336 4.647 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.727 -10.038 3.222 1.00 0.00 C ATOM 1256 C ASP A 104 -6.789 -8.866 2.955 1.00 0.00 C ATOM 1257 O ASP A 104 -7.088 -7.988 2.146 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.127 -9.700 2.707 1.00 0.00 C ATOM 1259 CG ASP A 104 -9.999 -10.924 2.498 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.309 -11.612 3.491 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.370 -11.194 1.337 1.00 0.00 O ATOM 0 H ASP A 104 -7.586 -9.525 5.243 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.369 -10.923 2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.616 -9.030 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.040 -9.159 1.765 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.655 -8.859 3.651 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.670 -7.794 3.506 1.00 0.00 C ATOM 1268 C ILE A 105 -3.256 -8.320 3.711 1.00 0.00 C ATOM 1269 O ILE A 105 -2.987 -9.049 4.666 1.00 0.00 O ATOM 1270 CB ILE A 105 -4.916 -6.656 4.517 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.309 -6.055 4.325 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.847 -5.582 4.378 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.646 -4.968 5.322 1.00 0.00 C ATOM 0 H ILE A 105 -5.396 -9.582 4.323 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.777 -7.409 2.492 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.860 -7.072 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.383 -5.647 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.051 -6.849 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.035 -4.786 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.866 -6.018 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.873 -5.171 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.649 -4.590 5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.606 -5.376 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.927 -4.154 5.230 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.353 -7.935 2.817 1.00 0.00 N ATOM 1286 CA PHE A 106 -0.963 -8.358 2.912 1.00 0.00 C ATOM 1287 C PHE A 106 -0.276 -7.661 4.072 1.00 0.00 C ATOM 1288 O PHE A 106 -0.540 -6.494 4.351 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.216 -8.064 1.611 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.111 -6.597 1.287 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.897 -5.820 1.838 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.022 -5.994 0.436 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.992 -4.473 1.546 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.932 -4.647 0.139 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.077 -3.886 0.695 1.00 0.00 C ATOM 0 H PHE A 106 -2.559 -7.332 2.020 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.948 -9.434 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.787 -8.485 1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.722 -8.572 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.617 -6.273 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.814 -6.584 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.781 -3.880 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.650 -4.191 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.150 -2.833 0.465 1.00 0.00 H new ATOM 1305 N GLU A 107 0.606 -8.380 4.743 1.00 0.00 N ATOM 1306 CA GLU A 107 1.332 -7.819 5.870 1.00 0.00 C ATOM 1307 C GLU A 107 2.629 -7.165 5.417 1.00 0.00 C ATOM 1308 O GLU A 107 3.202 -7.543 4.395 1.00 0.00 O ATOM 1309 CB GLU A 107 1.607 -8.884 6.923 1.00 0.00 C ATOM 1310 CG GLU A 107 0.378 -9.231 7.743 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.634 -10.074 6.988 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -0.350 -10.460 5.837 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -1.710 -10.355 7.557 1.00 0.00 O ATOM 0 H GLU A 107 0.837 -9.350 4.529 1.00 0.00 H new ATOM 0 HA GLU A 107 0.705 -7.048 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.978 -9.785 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.396 -8.535 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.689 -9.767 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.102 -8.309 8.072 1.00 0.00 H new ATOM 1320 N ALA A 108 3.079 -6.176 6.181 1.00 0.00 N ATOM 1321 CA ALA A 108 4.304 -5.454 5.862 1.00 0.00 C ATOM 1322 C ALA A 108 5.439 -6.414 5.530 1.00 0.00 C ATOM 1323 O ALA A 108 6.238 -6.155 4.632 1.00 0.00 O ATOM 1324 CB ALA A 108 4.697 -4.548 7.019 1.00 0.00 C ATOM 0 H ALA A 108 2.611 -5.855 7.029 1.00 0.00 H new ATOM 0 HA ALA A 108 4.116 -4.841 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.614 -4.014 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.899 -3.830 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.861 -5.150 7.913 1.00 0.00 H new ATOM 1330 N ASN A 109 5.504 -7.524 6.259 1.00 0.00 N ATOM 1331 CA ASN A 109 6.539 -8.518 6.038 1.00 0.00 C ATOM 1332 C ASN A 109 6.341 -9.231 4.704 1.00 0.00 C ATOM 1333 O ASN A 109 7.304 -9.578 4.027 1.00 0.00 O ATOM 1334 CB ASN A 109 6.532 -9.533 7.176 1.00 0.00 C ATOM 1335 CG ASN A 109 6.758 -8.889 8.529 1.00 0.00 C ATOM 1336 OD1 ASN A 109 7.788 -8.258 8.765 1.00 0.00 O ATOM 1337 ND2 ASN A 109 5.793 -9.049 9.428 1.00 0.00 N ATOM 0 H ASN A 109 4.850 -7.754 7.007 1.00 0.00 H new ATOM 0 HA ASN A 109 7.502 -8.008 6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.578 -10.060 7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.307 -10.279 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.889 -8.641 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.956 -9.580 9.188 1.00 0.00 H new ATOM 1344 N ASP A 110 5.084 -9.459 4.340 1.00 0.00 N ATOM 1345 CA ASP A 110 4.760 -10.143 3.091 1.00 0.00 C ATOM 1346 C ASP A 110 5.223 -9.335 1.881 1.00 0.00 C ATOM 1347 O ASP A 110 5.890 -9.861 0.990 1.00 0.00 O ATOM 1348 CB ASP A 110 3.253 -10.390 3.005 1.00 0.00 C ATOM 1349 CG ASP A 110 2.716 -11.127 4.217 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.525 -11.497 5.095 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.489 -11.336 4.287 1.00 0.00 O ATOM 0 H ASP A 110 4.272 -9.181 4.891 1.00 0.00 H new ATOM 0 HA ASP A 110 5.286 -11.098 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.737 -9.435 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.033 -10.966 2.106 1.00 0.00 H new ATOM 1356 N LEU A 111 4.859 -8.056 1.853 1.00 0.00 N ATOM 1357 CA LEU A 111 5.229 -7.175 0.750 1.00 0.00 C ATOM 1358 C LEU A 111 6.726 -6.879 0.756 1.00 0.00 C ATOM 1359 O LEU A 111 7.359 -6.820 -0.296 1.00 0.00 O ATOM 1360 CB LEU A 111 4.444 -5.864 0.831 1.00 0.00 C ATOM 1361 CG LEU A 111 4.710 -4.874 -0.308 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.327 -5.480 -1.653 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.950 -3.577 -0.074 1.00 0.00 C ATOM 0 H LEU A 111 4.307 -7.606 2.583 1.00 0.00 H new ATOM 0 HA LEU A 111 4.983 -7.687 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.379 -6.097 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.678 -5.376 1.777 1.00 0.00 H new ATOM 0 HG LEU A 111 5.777 -4.653 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.525 -4.759 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.915 -6.381 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.267 -5.734 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.150 -2.885 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.881 -3.785 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.273 -3.130 0.866 1.00 0.00 H new ATOM 1375 N PHE A 112 7.279 -6.675 1.945 1.00 0.00 N ATOM 1376 CA PHE A 112 8.700 -6.365 2.088 1.00 0.00 C ATOM 1377 C PHE A 112 9.581 -7.565 1.742 1.00 0.00 C ATOM 1378 O PHE A 112 10.551 -7.437 0.995 1.00 0.00 O ATOM 1379 CB PHE A 112 8.997 -5.904 3.517 1.00 0.00 C ATOM 1380 CG PHE A 112 10.433 -5.520 3.743 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.059 -4.599 2.916 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.159 -6.083 4.781 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.380 -4.247 3.121 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.480 -5.735 4.990 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.091 -4.815 4.159 1.00 0.00 C ATOM 0 H PHE A 112 6.767 -6.718 2.826 1.00 0.00 H new ATOM 0 HA PHE A 112 8.932 -5.564 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.361 -5.051 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.731 -6.702 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.508 -4.152 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.687 -6.802 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.855 -3.528 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.035 -6.182 5.802 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.123 -4.541 4.321 1.00 0.00 H new ATOM 1395 N GLU A 113 9.249 -8.727 2.298 1.00 0.00 N ATOM 1396 CA GLU A 113 10.020 -9.941 2.057 1.00 0.00 C ATOM 1397 C GLU A 113 9.646 -10.582 0.728 1.00 0.00 C ATOM 1398 O GLU A 113 10.343 -11.476 0.245 1.00 0.00 O ATOM 1399 CB GLU A 113 9.810 -10.942 3.194 1.00 0.00 C ATOM 1400 CG GLU A 113 10.251 -10.424 4.549 1.00 0.00 C ATOM 1401 CD GLU A 113 10.027 -11.430 5.662 1.00 0.00 C ATOM 1402 OE1 GLU A 113 9.525 -12.536 5.373 1.00 0.00 O ATOM 1403 OE2 GLU A 113 10.354 -11.110 6.825 1.00 0.00 O ATOM 0 H GLU A 113 8.450 -8.853 2.919 1.00 0.00 H new ATOM 0 HA GLU A 113 11.072 -9.660 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.754 -11.208 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.359 -11.856 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.309 -10.164 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.706 -9.508 4.778 1.00 0.00 H new ATOM 1410 N ASN A 114 8.538 -10.132 0.145 1.00 0.00 N ATOM 1411 CA ASN A 114 8.069 -10.676 -1.123 1.00 0.00 C ATOM 1412 C ASN A 114 7.691 -12.145 -0.962 1.00 0.00 C ATOM 1413 O ASN A 114 7.934 -12.962 -1.850 1.00 0.00 O ATOM 1414 CB ASN A 114 9.154 -10.533 -2.196 1.00 0.00 C ATOM 1415 CG ASN A 114 9.468 -9.089 -2.542 1.00 0.00 C ATOM 1416 OD1 ASN A 114 8.763 -8.154 -1.916 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 10.339 -8.815 -3.369 1.00 0.00 N flip ATOM 0 H ASN A 114 7.950 -9.393 0.531 1.00 0.00 H new ATOM 0 HA ASN A 114 7.187 -10.116 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.064 -11.023 -1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.834 -11.055 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.859 -9.562 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 114 10.540 -7.841 -3.594 1.00 0.00 H new ATOM 1424 N THR A 115 7.108 -12.475 0.187 1.00 0.00 N ATOM 1425 CA THR A 115 6.710 -13.849 0.475 1.00 0.00 C ATOM 1426 C THR A 115 5.374 -14.214 -0.173 1.00 0.00 C ATOM 1427 O THR A 115 5.280 -15.200 -0.903 1.00 0.00 O ATOM 1428 CB THR A 115 6.609 -14.095 1.992 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.646 -13.205 2.570 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.959 -13.892 2.662 1.00 0.00 C ATOM 0 H THR A 115 6.901 -11.811 0.933 1.00 0.00 H new ATOM 0 HA THR A 115 7.488 -14.483 0.050 1.00 0.00 H new ATOM 0 HB THR A 115 6.292 -15.126 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.586 -13.369 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.864 -14.071 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.683 -14.589 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.299 -12.870 2.494 1.00 0.00 H new ATOM 1438 N ASN A 116 4.339 -13.428 0.115 1.00 0.00 N ATOM 1439 CA ASN A 116 3.007 -13.690 -0.425 1.00 0.00 C ATOM 1440 C ASN A 116 2.890 -13.338 -1.908 1.00 0.00 C ATOM 1441 O ASN A 116 2.416 -14.152 -2.700 1.00 0.00 O ATOM 1442 CB ASN A 116 1.944 -12.935 0.375 1.00 0.00 C ATOM 1443 CG ASN A 116 1.289 -13.811 1.424 1.00 0.00 C ATOM 1444 OD1 ASN A 116 1.425 -13.430 2.685 1.00 0.00 O flip ATOM 1445 ND2 ASN A 116 0.667 -14.824 1.102 1.00 0.00 N flip ATOM 0 H ASN A 116 4.397 -12.607 0.717 1.00 0.00 H new ATOM 0 HA ASN A 116 2.840 -14.763 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.401 -12.071 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 116 1.182 -12.554 -0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.586 -15.082 0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.233 -15.405 1.819 1.00 0.00 H new ATOM 1452 N HIS A 117 3.307 -12.128 -2.274 1.00 0.00 N ATOM 1453 CA HIS A 117 3.228 -11.670 -3.664 1.00 0.00 C ATOM 1454 C HIS A 117 1.778 -11.503 -4.113 1.00 0.00 C ATOM 1455 O HIS A 117 1.282 -10.382 -4.234 1.00 0.00 O ATOM 1456 CB HIS A 117 3.939 -12.649 -4.604 1.00 0.00 C ATOM 1457 CG HIS A 117 5.431 -12.523 -4.618 1.00 0.00 C ATOM 1458 ND1 HIS A 117 6.246 -13.376 -5.330 1.00 0.00 N ATOM 1459 CD2 HIS A 117 6.254 -11.625 -4.029 1.00 0.00 C ATOM 1460 CE1 HIS A 117 7.504 -13.010 -5.179 1.00 0.00 C ATOM 1461 NE2 HIS A 117 7.539 -11.949 -4.395 1.00 0.00 N ATOM 0 H HIS A 117 3.704 -11.445 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 117 3.725 -10.701 -3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.676 -13.667 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.565 -12.498 -5.616 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.926 -14.168 -5.888 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.957 -10.806 -3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.361 -13.496 -5.622 1.00 0.00 H new ATOM 1470 N THR A 118 1.107 -12.623 -4.370 1.00 0.00 N ATOM 1471 CA THR A 118 -0.281 -12.602 -4.819 1.00 0.00 C ATOM 1472 C THR A 118 -1.191 -11.925 -3.799 1.00 0.00 C ATOM 1473 O THR A 118 -2.063 -11.137 -4.166 1.00 0.00 O ATOM 1474 CB THR A 118 -0.805 -14.024 -5.093 1.00 0.00 C ATOM 1475 OG1 THR A 118 0.048 -14.688 -6.033 1.00 0.00 O ATOM 1476 CG2 THR A 118 -2.223 -13.977 -5.639 1.00 0.00 C ATOM 0 H THR A 118 1.504 -13.558 -4.274 1.00 0.00 H new ATOM 0 HA THR A 118 -0.298 -12.029 -5.746 1.00 0.00 H new ATOM 0 HB THR A 118 -0.808 -14.575 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.291 -15.592 -6.201 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.575 -14.992 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.877 -13.494 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.236 -13.411 -6.571 1.00 0.00 H new ATOM 1484 N GLN A 119 -0.985 -12.234 -2.522 1.00 0.00 N ATOM 1485 CA GLN A 119 -1.789 -11.650 -1.456 1.00 0.00 C ATOM 1486 C GLN A 119 -1.824 -10.132 -1.584 1.00 0.00 C ATOM 1487 O GLN A 119 -2.849 -9.498 -1.335 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.226 -12.044 -0.091 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.004 -11.469 1.079 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.443 -11.949 1.115 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.708 -13.147 1.207 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.380 -11.011 1.044 1.00 0.00 N ATOM 0 H GLN A 119 -0.268 -12.885 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.806 -12.033 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.218 -13.131 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.190 -11.712 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.509 -11.745 2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -1.989 -10.381 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.114 -10.029 0.969 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.366 -11.272 1.065 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.692 -9.559 -1.976 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.580 -8.117 -2.143 1.00 0.00 C ATOM 1503 C VAL A 120 -1.540 -7.610 -3.216 1.00 0.00 C ATOM 1504 O VAL A 120 -2.196 -6.583 -3.040 1.00 0.00 O ATOM 1505 CB VAL A 120 0.860 -7.711 -2.515 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.957 -6.207 -2.721 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.837 -8.172 -1.443 1.00 0.00 C ATOM 0 H VAL A 120 0.163 -10.074 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.843 -7.662 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 120 1.124 -8.200 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.981 -5.941 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.287 -5.906 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.673 -5.695 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.849 -7.877 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.575 -7.713 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.788 -9.257 -1.349 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.614 -8.335 -4.327 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.478 -7.973 -5.429 1.00 0.00 C ATOM 1519 C GLN A 121 -3.951 -8.011 -5.024 1.00 0.00 C ATOM 1520 O GLN A 121 -4.707 -7.082 -5.310 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.229 -8.931 -6.590 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.119 -8.665 -7.778 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.875 -9.619 -8.936 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.915 -10.524 -8.778 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -3.546 -9.542 -9.965 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.075 -9.187 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.248 -6.951 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.187 -8.854 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.385 -9.954 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.161 -8.741 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.962 -7.642 -8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.274 -8.833 -10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.374 -10.188 -10.736 1.00 0.00 H new ATOM 1534 N SER A 122 -4.352 -9.094 -4.366 1.00 0.00 N ATOM 1535 CA SER A 122 -5.736 -9.259 -3.930 1.00 0.00 C ATOM 1536 C SER A 122 -6.151 -8.156 -2.962 1.00 0.00 C ATOM 1537 O SER A 122 -7.262 -7.633 -3.043 1.00 0.00 O ATOM 1538 CB SER A 122 -5.923 -10.627 -3.270 1.00 0.00 C ATOM 1539 OG SER A 122 -5.088 -10.766 -2.134 1.00 0.00 O ATOM 0 H SER A 122 -3.738 -9.872 -4.122 1.00 0.00 H new ATOM 0 HA SER A 122 -6.372 -9.193 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.965 -10.753 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.697 -11.415 -3.989 1.00 0.00 H new ATOM 0 HG SER A 122 -4.318 -10.166 -2.218 1.00 0.00 H new ATOM 1545 N THR A 123 -5.254 -7.811 -2.044 1.00 0.00 N ATOM 1546 CA THR A 123 -5.529 -6.775 -1.054 1.00 0.00 C ATOM 1547 C THR A 123 -5.914 -5.457 -1.718 1.00 0.00 C ATOM 1548 O THR A 123 -6.857 -4.790 -1.291 1.00 0.00 O ATOM 1549 CB THR A 123 -4.313 -6.536 -0.142 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.949 -7.753 0.519 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.611 -5.462 0.894 1.00 0.00 C ATOM 0 H THR A 123 -4.329 -8.234 -1.965 1.00 0.00 H new ATOM 0 HA THR A 123 -6.366 -7.132 -0.454 1.00 0.00 H new ATOM 0 HB THR A 123 -3.485 -6.197 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.561 -8.375 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.735 -5.313 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.858 -4.528 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.454 -5.775 1.510 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.179 -5.085 -2.762 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.444 -3.844 -3.480 1.00 0.00 C ATOM 1561 C LEU A 124 -6.892 -3.786 -3.958 1.00 0.00 C ATOM 1562 O LEU A 124 -7.549 -2.751 -3.850 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.495 -3.705 -4.674 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.011 -3.581 -4.320 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.171 -3.475 -5.584 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.774 -2.379 -3.418 1.00 0.00 C ATOM 0 H LEU A 124 -4.396 -5.626 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.275 -3.016 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.625 -4.571 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.789 -2.827 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.710 -4.478 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.118 -3.387 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.317 -4.367 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.475 -2.595 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.713 -2.308 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.091 -1.471 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.347 -2.496 -2.498 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.382 -4.902 -4.487 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.752 -4.976 -4.983 1.00 0.00 C ATOM 1580 C ILE A 125 -9.758 -4.701 -3.867 1.00 0.00 C ATOM 1581 O ILE A 125 -10.725 -3.962 -4.060 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.050 -6.356 -5.603 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.032 -6.673 -6.703 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.467 -6.390 -6.158 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.218 -8.038 -7.328 1.00 0.00 C ATOM 0 H ILE A 125 -6.851 -5.768 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.852 -4.211 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.967 -7.116 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.103 -5.914 -7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.027 -6.608 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.664 -7.370 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.178 -6.200 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.575 -5.624 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.462 -8.192 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.117 -8.806 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.210 -8.101 -7.776 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.525 -5.301 -2.703 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.411 -5.122 -1.556 1.00 0.00 C ATOM 1599 C ALA A 126 -10.462 -3.660 -1.120 1.00 0.00 C ATOM 1600 O ALA A 126 -11.527 -3.134 -0.802 1.00 0.00 O ATOM 1601 CB ALA A 126 -9.961 -6.004 -0.400 1.00 0.00 C ATOM 0 H ALA A 126 -8.730 -5.916 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.416 -5.418 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.630 -5.861 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.985 -7.049 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.945 -5.735 -0.111 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.303 -3.014 -1.105 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.206 -1.613 -0.704 1.00 0.00 C ATOM 1609 C LEU A 127 -9.941 -0.714 -1.697 1.00 0.00 C ATOM 1610 O LEU A 127 -10.646 0.216 -1.304 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.729 -1.207 -0.601 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.444 0.174 0.009 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -7.900 1.292 -0.917 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -8.107 0.305 1.372 1.00 0.00 C ATOM 0 H LEU A 127 -8.413 -3.438 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.678 -1.492 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.208 -1.958 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.296 -1.236 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.365 0.265 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.684 2.256 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -7.370 1.217 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.972 1.205 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.893 1.290 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -9.185 0.182 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.718 -0.463 2.041 1.00 0.00 H new ATOM 1626 N ALA A 128 -9.759 -0.995 -2.982 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.386 -0.214 -4.043 1.00 0.00 C ATOM 1628 C ALA A 128 -11.894 -0.107 -3.848 1.00 0.00 C ATOM 1629 O ALA A 128 -12.469 0.974 -3.980 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.072 -0.824 -5.400 1.00 0.00 C ATOM 0 H ALA A 128 -9.178 -1.764 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 128 -9.975 0.795 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.546 -0.232 -6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.993 -0.833 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.452 -1.845 -5.437 1.00 0.00 H new ATOM 1636 N SER A 129 -12.532 -1.231 -3.541 1.00 0.00 N ATOM 1637 CA SER A 129 -13.977 -1.257 -3.336 1.00 0.00 C ATOM 1638 C SER A 129 -14.390 -0.318 -2.206 1.00 0.00 C ATOM 1639 O SER A 129 -15.447 0.313 -2.269 1.00 0.00 O ATOM 1640 CB SER A 129 -14.451 -2.682 -3.038 1.00 0.00 C ATOM 1641 OG SER A 129 -13.833 -3.194 -1.873 1.00 0.00 O ATOM 0 H SER A 129 -12.073 -2.135 -3.429 1.00 0.00 H new ATOM 0 HA SER A 129 -14.451 -0.913 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 129 -15.534 -2.689 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.225 -3.328 -3.886 1.00 0.00 H new ATOM 0 HG SER A 129 -14.202 -2.746 -1.083 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.554 -0.226 -1.176 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.833 0.634 -0.038 1.00 0.00 C ATOM 1649 C GLN A 130 -13.807 2.107 -0.427 1.00 0.00 C ATOM 1650 O GLN A 130 -14.742 2.854 -0.143 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.807 0.380 1.054 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.191 -0.724 2.028 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.384 -2.070 1.360 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.245 -2.233 0.496 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.582 -3.047 1.764 1.00 0.00 N ATOM 0 H GLN A 130 -12.675 -0.740 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.834 0.399 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.855 0.124 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.651 1.303 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.417 -0.812 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.112 -0.444 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -11.882 -2.867 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -12.666 -3.978 1.355 1.00 0.00 H new ATOM 1664 N ALA A 131 -12.718 2.515 -1.065 1.00 0.00 N ATOM 1665 CA ALA A 131 -12.543 3.899 -1.483 1.00 0.00 C ATOM 1666 C ALA A 131 -13.644 4.352 -2.438 1.00 0.00 C ATOM 1667 O ALA A 131 -14.175 5.455 -2.304 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.175 4.073 -2.118 1.00 0.00 C ATOM 0 H ALA A 131 -11.938 1.903 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.613 4.530 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.048 5.110 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.402 3.814 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.092 3.420 -2.987 1.00 0.00 H new ATOM 1674 N LYS A 132 -13.983 3.503 -3.405 1.00 0.00 N ATOM 1675 CA LYS A 132 -15.022 3.833 -4.379 1.00 0.00 C ATOM 1676 C LYS A 132 -16.416 3.649 -3.784 1.00 0.00 C ATOM 1677 O LYS A 132 -17.325 3.159 -4.456 1.00 0.00 O ATOM 1678 CB LYS A 132 -14.880 2.960 -5.629 1.00 0.00 C ATOM 1679 CG LYS A 132 -15.151 1.486 -5.379 1.00 0.00 C ATOM 1680 CD LYS A 132 -15.117 0.688 -6.673 1.00 0.00 C ATOM 1681 CE LYS A 132 -15.435 -0.780 -6.437 1.00 0.00 C ATOM 1682 NZ LYS A 132 -15.403 -1.565 -7.701 1.00 0.00 N ATOM 0 H LYS A 132 -13.556 2.586 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.897 4.881 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.567 3.322 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.872 3.072 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -14.408 1.090 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.125 1.369 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -15.835 1.107 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -14.132 0.778 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -14.717 -1.198 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -16.420 -0.869 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -15.625 -2.560 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -16.106 -1.182 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -14.456 -1.501 -8.125 1.00 0.00 H new