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 115 THR OG1 : rot 88:sc= -1.35! USER MOD Set 1.2: A 116 ASN : amide:sc= 0.354 K(o=-1,f=-3.2) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.146 X(o=0.28,f=-0.0075) USER MOD Set 2.2: A 90 ASN : amide:sc= 0.138 X(o=0.28,f=-0.0075) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 178:sc= 0.04 (180deg=0) USER MOD Set 3.2: A 114 ASN : amide:sc= -2.77 K(o=-2.7,f=-8.8!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 150:sc= -0.0785 USER MOD Single : A 49 ASN : amide:sc= 0.132 K(o=0.13,f=-3.1!) USER MOD Single : A 51 MET CE :methyl -141:sc= -6.72! (180deg=-8.43!) USER MOD Single : A 61 CYS SG : rot 83:sc= -3.1 USER MOD Single : A 65 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0269 F(o=-1.8!,f=-0.027) USER MOD Single : A 71 SER OG : rot 40:sc= -2.07! USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0406 (180deg=-0.281) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.075) USER MOD Single : A 81 ASN : amide:sc= -0.793 K(o=-0.79,f=-2.9) USER MOD Single : A 83 HIS : +bothHN:sc= 0.142 K(o=0.14,f=-3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= -2.7! C(o=-6.7!,f=-2.7!) 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 100:sc= -1.54! USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0471 (180deg=-0.274) USER MOD Single : A 103 HIS :FLIP no HE2:sc= 0.00556 F(o=-0.53,f=0.0056) USER MOD Single : A 109 ASN : amide:sc= -0.283 K(o=-0.28,f=-3!) USER MOD Single : A 117 HIS : no HD1:sc= 0.106 K(o=0.11,f=-2.1!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.745 X(o=-0.75,f=-0.6) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 122 SER OG : rot -27:sc= 0.849 USER MOD Single : A 123 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -5.65! C(o=-6.5!,f=-5.7!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -5.608 -3.188 -13.902 1.00 0.00 N ATOM 105 CA GLN A 33 -6.363 -2.065 -13.343 1.00 0.00 C ATOM 106 C GLN A 33 -5.756 -1.585 -12.026 1.00 0.00 C ATOM 107 O GLN A 33 -5.801 -0.395 -11.719 1.00 0.00 O ATOM 108 CB GLN A 33 -7.834 -2.441 -13.141 1.00 0.00 C ATOM 109 CG GLN A 33 -8.550 -2.808 -14.430 1.00 0.00 C ATOM 110 CD GLN A 33 -10.008 -3.159 -14.209 1.00 0.00 C ATOM 111 OE1 GLN A 33 -10.329 -4.096 -13.478 1.00 0.00 O ATOM 112 NE2 GLN A 33 -10.901 -2.405 -14.840 1.00 0.00 N ATOM 0 HA GLN A 33 -6.308 -1.246 -14.061 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.894 -3.282 -12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.353 -1.605 -12.672 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.483 -1.974 -15.128 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.043 -3.654 -14.894 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.590 -1.638 -15.437 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.897 -2.593 -14.728 1.00 0.00 H new ATOM 121 N LEU A 34 -5.187 -2.508 -11.253 1.00 0.00 N ATOM 122 CA LEU A 34 -4.573 -2.155 -9.977 1.00 0.00 C ATOM 123 C LEU A 34 -3.502 -1.085 -10.170 1.00 0.00 C ATOM 124 O LEU A 34 -3.457 -0.097 -9.437 1.00 0.00 O ATOM 125 CB LEU A 34 -3.947 -3.389 -9.316 1.00 0.00 C ATOM 126 CG LEU A 34 -4.931 -4.482 -8.893 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.181 -5.677 -8.319 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.925 -3.942 -7.876 1.00 0.00 C ATOM 0 H LEU A 34 -5.139 -3.500 -11.487 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.357 -1.762 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.225 -3.823 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.391 -3.065 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.483 -4.808 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.894 -6.446 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.506 -6.080 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.605 -5.361 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.616 -4.734 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.389 -3.589 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.483 -3.116 -8.316 1.00 0.00 H new ATOM 140 N ARG A 35 -2.639 -1.292 -11.160 1.00 0.00 N ATOM 141 CA ARG A 35 -1.564 -0.349 -11.449 1.00 0.00 C ATOM 142 C ARG A 35 -2.114 0.974 -11.978 1.00 0.00 C ATOM 143 O ARG A 35 -1.762 2.040 -11.481 1.00 0.00 O ATOM 144 CB ARG A 35 -0.583 -0.954 -12.458 1.00 0.00 C ATOM 145 CG ARG A 35 -1.232 -1.388 -13.762 1.00 0.00 C ATOM 146 CD ARG A 35 -0.213 -1.972 -14.726 1.00 0.00 C ATOM 147 NE ARG A 35 0.456 -3.146 -14.173 1.00 0.00 N ATOM 148 CZ ARG A 35 1.389 -3.837 -14.820 1.00 0.00 C ATOM 149 NH1 ARG A 35 1.762 -3.474 -16.040 1.00 0.00 N ATOM 150 NH2 ARG A 35 1.950 -4.893 -14.247 1.00 0.00 N ATOM 0 H ARG A 35 -2.663 -2.105 -11.776 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.037 -0.147 -10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.196 -0.223 -12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.093 -1.815 -12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.005 -2.128 -13.556 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.725 -0.534 -14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.710 -2.244 -15.657 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.530 -1.213 -14.971 1.00 0.00 H new ATOM 0 HE ARG A 35 0.192 -3.453 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.333 -2.662 -16.484 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.478 -4.006 -16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.666 -5.176 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.666 -5.423 -14.744 1.00 0.00 H new ATOM 164 N VAL A 36 -2.977 0.898 -12.986 1.00 0.00 N ATOM 165 CA VAL A 36 -3.570 2.092 -13.578 1.00 0.00 C ATOM 166 C VAL A 36 -4.279 2.934 -12.521 1.00 0.00 C ATOM 167 O VAL A 36 -4.254 4.165 -12.568 1.00 0.00 O ATOM 168 CB VAL A 36 -4.577 1.725 -14.687 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.176 2.980 -15.306 1.00 0.00 C ATOM 170 CG2 VAL A 36 -3.912 0.864 -15.749 1.00 0.00 C ATOM 0 H VAL A 36 -3.281 0.022 -13.410 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.755 2.671 -14.013 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.386 1.149 -14.239 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.884 2.699 -16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.693 3.554 -14.537 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.381 3.587 -15.739 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.638 0.615 -16.523 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.081 1.412 -16.194 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.539 -0.053 -15.293 1.00 0.00 H new ATOM 180 N TRP A 37 -4.917 2.258 -11.575 1.00 0.00 N ATOM 181 CA TRP A 37 -5.649 2.922 -10.502 1.00 0.00 C ATOM 182 C TRP A 37 -4.727 3.748 -9.600 1.00 0.00 C ATOM 183 O TRP A 37 -4.836 4.973 -9.548 1.00 0.00 O ATOM 184 CB TRP A 37 -6.414 1.867 -9.682 1.00 0.00 C ATOM 185 CG TRP A 37 -6.546 2.178 -8.216 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.823 3.386 -7.642 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.405 1.247 -7.137 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.831 3.267 -6.275 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.590 1.963 -5.940 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.135 -0.122 -7.068 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.513 1.356 -4.689 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.063 -0.724 -5.826 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.251 0.014 -4.652 1.00 0.00 C ATOM 0 H TRP A 37 -4.943 1.239 -11.528 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.355 3.621 -10.951 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.412 1.752 -10.105 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.909 0.907 -9.791 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.009 4.301 -8.185 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.991 4.028 -5.615 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.985 -0.699 -7.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.655 1.924 -3.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.858 -1.782 -5.760 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.188 -0.486 -3.697 1.00 0.00 H new ATOM 204 N ILE A 38 -3.851 3.070 -8.867 1.00 0.00 N ATOM 205 CA ILE A 38 -2.946 3.742 -7.939 1.00 0.00 C ATOM 206 C ILE A 38 -1.969 4.678 -8.648 1.00 0.00 C ATOM 207 O ILE A 38 -1.794 5.824 -8.232 1.00 0.00 O ATOM 208 CB ILE A 38 -2.168 2.717 -7.096 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.136 1.904 -6.232 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.125 3.412 -6.231 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.475 0.782 -5.464 1.00 0.00 C ATOM 0 H ILE A 38 -3.748 2.056 -8.897 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.569 4.351 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.647 2.036 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.628 2.573 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.914 1.485 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.586 2.669 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.423 3.949 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.618 4.116 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.225 0.253 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.006 0.089 -6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.717 1.194 -4.798 1.00 0.00 H new ATOM 223 N GLU A 39 -1.333 4.198 -9.714 1.00 0.00 N ATOM 224 CA GLU A 39 -0.378 5.017 -10.457 1.00 0.00 C ATOM 225 C GLU A 39 -1.024 6.325 -10.902 1.00 0.00 C ATOM 226 O GLU A 39 -0.445 7.400 -10.746 1.00 0.00 O ATOM 227 CB GLU A 39 0.155 4.260 -11.675 1.00 0.00 C ATOM 228 CG GLU A 39 0.992 3.042 -11.317 1.00 0.00 C ATOM 229 CD GLU A 39 1.474 2.286 -12.540 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.620 1.827 -13.328 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.703 2.152 -12.710 1.00 0.00 O ATOM 0 H GLU A 39 -1.460 3.255 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 39 0.457 5.243 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.686 3.944 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.757 4.939 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.852 3.358 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.403 2.373 -10.689 1.00 0.00 H new ATOM 238 N GLY A 40 -2.229 6.224 -11.452 1.00 0.00 N ATOM 239 CA GLY A 40 -2.942 7.403 -11.906 1.00 0.00 C ATOM 240 C GLY A 40 -3.402 8.281 -10.758 1.00 0.00 C ATOM 241 O GLY A 40 -3.480 9.503 -10.895 1.00 0.00 O ATOM 0 H GLY A 40 -2.726 5.344 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.297 7.982 -12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.807 7.097 -12.494 1.00 0.00 H new ATOM 245 N ALA A 41 -3.716 7.654 -9.627 1.00 0.00 N ATOM 246 CA ALA A 41 -4.185 8.377 -8.450 1.00 0.00 C ATOM 247 C ALA A 41 -3.226 9.497 -8.058 1.00 0.00 C ATOM 248 O ALA A 41 -3.562 10.677 -8.160 1.00 0.00 O ATOM 249 CB ALA A 41 -4.367 7.413 -7.286 1.00 0.00 C ATOM 0 H ALA A 41 -3.654 6.644 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.144 8.833 -8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.717 7.961 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.100 6.652 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.415 6.935 -7.057 1.00 0.00 H new ATOM 255 N THR A 42 -2.035 9.121 -7.606 1.00 0.00 N ATOM 256 CA THR A 42 -1.031 10.097 -7.198 1.00 0.00 C ATOM 257 C THR A 42 -0.258 10.632 -8.396 1.00 0.00 C ATOM 258 O THR A 42 -0.106 11.843 -8.560 1.00 0.00 O ATOM 259 CB THR A 42 -0.038 9.487 -6.190 1.00 0.00 C ATOM 260 OG1 THR A 42 0.572 8.317 -6.748 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.740 9.129 -4.889 1.00 0.00 C ATOM 0 H THR A 42 -1.741 8.149 -7.513 1.00 0.00 H new ATOM 0 HA THR A 42 -1.565 10.920 -6.723 1.00 0.00 H new ATOM 0 HB THR A 42 0.731 10.229 -5.977 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.475 8.213 -6.382 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.019 8.700 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.177 10.027 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.528 8.403 -5.089 1.00 0.00 H new ATOM 269 N GLY A 43 0.236 9.720 -9.224 1.00 0.00 N ATOM 270 CA GLY A 43 0.998 10.108 -10.394 1.00 0.00 C ATOM 271 C GLY A 43 2.382 9.498 -10.386 1.00 0.00 C ATOM 272 O GLY A 43 3.362 10.155 -10.736 1.00 0.00 O ATOM 0 H GLY A 43 0.121 8.714 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.468 9.796 -11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.079 11.194 -10.432 1.00 0.00 H new ATOM 276 N ARG A 44 2.458 8.236 -9.976 1.00 0.00 N ATOM 277 CA ARG A 44 3.728 7.526 -9.910 1.00 0.00 C ATOM 278 C ARG A 44 3.621 6.166 -10.588 1.00 0.00 C ATOM 279 O ARG A 44 2.705 5.394 -10.306 1.00 0.00 O ATOM 280 CB ARG A 44 4.149 7.336 -8.450 1.00 0.00 C ATOM 281 CG ARG A 44 4.121 8.615 -7.627 1.00 0.00 C ATOM 282 CD ARG A 44 5.043 9.671 -8.208 1.00 0.00 C ATOM 283 NE ARG A 44 5.003 10.914 -7.443 1.00 0.00 N ATOM 284 CZ ARG A 44 5.720 11.991 -7.747 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.532 11.978 -8.796 1.00 0.00 N ATOM 286 NH2 ARG A 44 5.627 13.084 -7.001 1.00 0.00 N ATOM 0 H ARG A 44 1.652 7.684 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 44 4.478 8.121 -10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.490 6.602 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.157 6.921 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.103 9.001 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.418 8.396 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.064 9.290 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.759 9.872 -9.241 1.00 0.00 H new ATOM 0 HE ARG A 44 4.390 10.958 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.607 11.140 -9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.081 12.806 -9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.005 13.099 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.178 13.910 -7.235 1.00 0.00 H new ATOM 300 N ARG A 45 4.564 5.873 -11.476 1.00 0.00 N ATOM 301 CA ARG A 45 4.572 4.599 -12.184 1.00 0.00 C ATOM 302 C ARG A 45 5.173 3.497 -11.317 1.00 0.00 C ATOM 303 O ARG A 45 5.785 2.561 -11.828 1.00 0.00 O ATOM 304 CB ARG A 45 5.358 4.726 -13.491 1.00 0.00 C ATOM 305 CG ARG A 45 4.780 5.753 -14.451 1.00 0.00 C ATOM 306 CD ARG A 45 3.366 5.387 -14.876 1.00 0.00 C ATOM 307 NE ARG A 45 3.320 4.107 -15.579 1.00 0.00 N ATOM 308 CZ ARG A 45 2.202 3.569 -16.057 1.00 0.00 C ATOM 309 NH1 ARG A 45 1.043 4.196 -15.909 1.00 0.00 N ATOM 310 NH2 ARG A 45 2.243 2.401 -16.685 1.00 0.00 N ATOM 0 H ARG A 45 5.331 6.499 -11.722 1.00 0.00 H new ATOM 0 HA ARG A 45 3.541 4.331 -12.413 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.389 4.996 -13.261 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.386 3.755 -13.985 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.776 6.734 -13.976 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.418 5.828 -15.332 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.724 5.341 -13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.967 6.170 -15.521 1.00 0.00 H new ATOM 0 HE ARG A 45 4.194 3.598 -15.710 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.007 5.094 -15.427 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.187 3.780 -16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.132 1.915 -16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.385 1.989 -17.052 1.00 0.00 H new ATOM 324 N ILE A 46 4.983 3.620 -10.003 1.00 0.00 N ATOM 325 CA ILE A 46 5.490 2.648 -9.042 1.00 0.00 C ATOM 326 C ILE A 46 7.005 2.495 -9.144 1.00 0.00 C ATOM 327 O ILE A 46 7.751 3.018 -8.316 1.00 0.00 O ATOM 328 CB ILE A 46 4.815 1.278 -9.238 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.322 1.372 -8.913 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.489 0.219 -8.377 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.565 0.082 -9.148 1.00 0.00 C ATOM 0 H ILE A 46 4.474 4.395 -9.579 1.00 0.00 H new ATOM 0 HA ILE A 46 5.249 3.025 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 46 4.924 0.983 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.204 1.667 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.876 2.160 -9.520 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.997 -0.742 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.539 0.137 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.414 0.502 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.514 0.226 -8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.651 -0.205 -10.196 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.984 -0.705 -8.521 1.00 0.00 H new ATOM 343 N GLY A 47 7.453 1.777 -10.166 1.00 0.00 N ATOM 344 CA GLY A 47 8.875 1.564 -10.365 1.00 0.00 C ATOM 345 C GLY A 47 9.160 0.314 -11.173 1.00 0.00 C ATOM 346 O GLY A 47 8.523 0.072 -12.198 1.00 0.00 O ATOM 0 H GLY A 47 6.854 1.336 -10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.302 2.428 -10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.368 1.488 -9.396 1.00 0.00 H new ATOM 350 N ASP A 48 10.114 -0.485 -10.704 1.00 0.00 N ATOM 351 CA ASP A 48 10.477 -1.725 -11.380 1.00 0.00 C ATOM 352 C ASP A 48 9.331 -2.735 -11.294 1.00 0.00 C ATOM 353 O ASP A 48 8.209 -2.442 -11.707 1.00 0.00 O ATOM 354 CB ASP A 48 11.754 -2.307 -10.767 1.00 0.00 C ATOM 355 CG ASP A 48 12.934 -1.361 -10.881 1.00 0.00 C ATOM 356 OD1 ASP A 48 13.304 -1.009 -12.021 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.487 -0.972 -9.831 1.00 0.00 O ATOM 0 H ASP A 48 10.650 -0.295 -9.857 1.00 0.00 H new ATOM 0 HA ASP A 48 10.665 -1.508 -12.432 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.577 -2.538 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.996 -3.247 -11.263 1.00 0.00 H new ATOM 362 N ASN A 49 9.612 -3.919 -10.753 1.00 0.00 N ATOM 363 CA ASN A 49 8.593 -4.953 -10.613 1.00 0.00 C ATOM 364 C ASN A 49 7.374 -4.405 -9.879 1.00 0.00 C ATOM 365 O ASN A 49 7.504 -3.585 -8.971 1.00 0.00 O ATOM 366 CB ASN A 49 9.158 -6.161 -9.863 1.00 0.00 C ATOM 367 CG ASN A 49 10.338 -6.787 -10.580 1.00 0.00 C ATOM 368 OD1 ASN A 49 11.359 -6.138 -10.802 1.00 0.00 O ATOM 369 ND2 ASN A 49 10.202 -8.056 -10.947 1.00 0.00 N ATOM 0 H ASN A 49 10.534 -4.184 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 49 8.287 -5.270 -11.610 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.465 -5.853 -8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.374 -6.908 -9.740 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.963 -8.530 -11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.337 -8.556 -10.742 1.00 0.00 H new ATOM 376 N PHE A 50 6.190 -4.852 -10.286 1.00 0.00 N ATOM 377 CA PHE A 50 4.946 -4.396 -9.674 1.00 0.00 C ATOM 378 C PHE A 50 4.953 -4.620 -8.163 1.00 0.00 C ATOM 379 O PHE A 50 4.617 -3.720 -7.392 1.00 0.00 O ATOM 380 CB PHE A 50 3.754 -5.122 -10.303 1.00 0.00 C ATOM 381 CG PHE A 50 2.424 -4.716 -9.732 1.00 0.00 C ATOM 382 CD1 PHE A 50 2.083 -3.378 -9.609 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.513 -5.675 -9.318 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.860 -3.005 -9.084 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.288 -5.308 -8.793 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.039 -3.971 -8.676 1.00 0.00 C ATOM 0 H PHE A 50 6.065 -5.530 -11.038 1.00 0.00 H new ATOM 0 HA PHE A 50 4.856 -3.325 -9.856 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.751 -4.933 -11.376 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.883 -6.196 -10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.781 -2.618 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.763 -6.722 -9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.607 -1.959 -8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.413 -6.066 -8.475 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.996 -3.682 -8.266 1.00 0.00 H new ATOM 396 N MET A 51 5.329 -5.825 -7.747 1.00 0.00 N ATOM 397 CA MET A 51 5.370 -6.168 -6.328 1.00 0.00 C ATOM 398 C MET A 51 6.514 -5.448 -5.624 1.00 0.00 C ATOM 399 O MET A 51 6.328 -4.849 -4.565 1.00 0.00 O ATOM 400 CB MET A 51 5.532 -7.678 -6.162 1.00 0.00 C ATOM 401 CG MET A 51 4.660 -8.480 -7.109 1.00 0.00 C ATOM 402 SD MET A 51 2.905 -8.120 -6.919 1.00 0.00 S ATOM 403 CE MET A 51 2.651 -8.610 -5.219 1.00 0.00 C ATOM 0 H MET A 51 5.610 -6.581 -8.371 1.00 0.00 H new ATOM 0 HA MET A 51 4.432 -5.850 -5.874 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.576 -7.945 -6.326 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.290 -7.952 -5.135 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.960 -8.271 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.828 -9.543 -6.938 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.685 -9.106 -5.124 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.443 -9.295 -4.916 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.670 -7.728 -4.579 1.00 0.00 H new ATOM 413 N ASP A 52 7.696 -5.517 -6.224 1.00 0.00 N ATOM 414 CA ASP A 52 8.886 -4.879 -5.665 1.00 0.00 C ATOM 415 C ASP A 52 8.643 -3.394 -5.412 1.00 0.00 C ATOM 416 O ASP A 52 9.079 -2.848 -4.398 1.00 0.00 O ATOM 417 CB ASP A 52 10.078 -5.061 -6.608 1.00 0.00 C ATOM 418 CG ASP A 52 11.361 -4.475 -6.049 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.408 -3.246 -5.828 1.00 0.00 O ATOM 420 OD2 ASP A 52 12.319 -5.246 -5.832 1.00 0.00 O ATOM 0 H ASP A 52 7.858 -6.010 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 52 9.109 -5.357 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.223 -6.124 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.855 -4.589 -7.565 1.00 0.00 H new ATOM 425 N GLY A 53 7.948 -2.746 -6.339 1.00 0.00 N ATOM 426 CA GLY A 53 7.663 -1.330 -6.198 1.00 0.00 C ATOM 427 C GLY A 53 6.772 -1.031 -5.008 1.00 0.00 C ATOM 428 O GLY A 53 7.077 -0.149 -4.210 1.00 0.00 O ATOM 0 H GLY A 53 7.576 -3.176 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.600 -0.783 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.183 -0.967 -7.107 1.00 0.00 H new ATOM 432 N LEU A 54 5.672 -1.770 -4.893 1.00 0.00 N ATOM 433 CA LEU A 54 4.725 -1.585 -3.794 1.00 0.00 C ATOM 434 C LEU A 54 5.430 -1.649 -2.440 1.00 0.00 C ATOM 435 O LEU A 54 4.989 -1.035 -1.469 1.00 0.00 O ATOM 436 CB LEU A 54 3.634 -2.658 -3.856 1.00 0.00 C ATOM 437 CG LEU A 54 2.775 -2.646 -5.123 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.857 -3.858 -5.153 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.961 -1.364 -5.206 1.00 0.00 C ATOM 0 H LEU A 54 5.412 -2.506 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 54 4.275 -0.598 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.105 -3.637 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.980 -2.538 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 54 3.438 -2.690 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.253 -3.835 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.456 -4.769 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.203 -3.841 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.357 -1.375 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.308 -1.291 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.634 -0.507 -5.228 1.00 0.00 H new ATOM 451 N LYS A 55 6.514 -2.414 -2.387 1.00 0.00 N ATOM 452 CA LYS A 55 7.285 -2.592 -1.161 1.00 0.00 C ATOM 453 C LYS A 55 7.628 -1.261 -0.487 1.00 0.00 C ATOM 454 O LYS A 55 7.671 -1.183 0.742 1.00 0.00 O ATOM 455 CB LYS A 55 8.564 -3.373 -1.462 1.00 0.00 C ATOM 456 CG LYS A 55 8.304 -4.810 -1.890 1.00 0.00 C ATOM 457 CD LYS A 55 9.561 -5.479 -2.425 1.00 0.00 C ATOM 458 CE LYS A 55 10.699 -5.405 -1.429 1.00 0.00 C ATOM 459 NZ LYS A 55 11.902 -6.145 -1.901 1.00 0.00 N ATOM 0 H LYS A 55 6.883 -2.926 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 55 6.663 -3.153 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.118 -2.861 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.198 -3.374 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.924 -5.378 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.530 -4.826 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.348 -6.522 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.861 -4.999 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.961 -4.361 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.372 -5.816 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.669 -6.041 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.669 -7.153 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.210 -5.759 -2.816 1.00 0.00 H new ATOM 473 N ASP A 56 7.883 -0.222 -1.280 1.00 0.00 N ATOM 474 CA ASP A 56 8.232 1.085 -0.723 1.00 0.00 C ATOM 475 C ASP A 56 7.163 1.559 0.257 1.00 0.00 C ATOM 476 O ASP A 56 7.477 2.117 1.309 1.00 0.00 O ATOM 477 CB ASP A 56 8.418 2.126 -1.829 1.00 0.00 C ATOM 478 CG ASP A 56 7.103 2.581 -2.433 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.319 1.717 -2.875 1.00 0.00 O ATOM 480 OD2 ASP A 56 6.858 3.805 -2.465 1.00 0.00 O ATOM 0 H ASP A 56 7.855 -0.257 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 56 9.176 0.972 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.945 2.990 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.048 1.707 -2.614 1.00 0.00 H new ATOM 485 N GLY A 57 5.901 1.331 -0.093 1.00 0.00 N ATOM 486 CA GLY A 57 4.808 1.737 0.769 1.00 0.00 C ATOM 487 C GLY A 57 4.467 3.211 0.642 1.00 0.00 C ATOM 488 O GLY A 57 3.324 3.599 0.846 1.00 0.00 O ATOM 0 H GLY A 57 5.617 0.872 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.925 1.144 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.069 1.518 1.804 1.00 0.00 H new ATOM 492 N VAL A 58 5.465 4.030 0.324 1.00 0.00 N ATOM 493 CA VAL A 58 5.275 5.472 0.188 1.00 0.00 C ATOM 494 C VAL A 58 4.131 5.812 -0.758 1.00 0.00 C ATOM 495 O VAL A 58 3.165 6.461 -0.361 1.00 0.00 O ATOM 496 CB VAL A 58 6.552 6.153 -0.337 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.353 7.658 -0.448 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.736 5.830 0.558 1.00 0.00 C ATOM 0 H VAL A 58 6.421 3.717 0.154 1.00 0.00 H new ATOM 0 HA VAL A 58 5.036 5.841 1.185 1.00 0.00 H new ATOM 0 HB VAL A 58 6.762 5.765 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.267 8.119 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.534 7.867 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.115 8.067 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.629 6.320 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.536 6.186 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.894 4.752 0.578 1.00 0.00 H new ATOM 508 N ILE A 59 4.248 5.386 -2.013 1.00 0.00 N ATOM 509 CA ILE A 59 3.220 5.669 -3.009 1.00 0.00 C ATOM 510 C ILE A 59 1.857 5.172 -2.541 1.00 0.00 C ATOM 511 O ILE A 59 0.874 5.909 -2.591 1.00 0.00 O ATOM 512 CB ILE A 59 3.562 5.040 -4.374 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.882 5.613 -4.901 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.433 5.280 -5.367 1.00 0.00 C ATOM 515 CD1 ILE A 59 5.293 5.065 -6.251 1.00 0.00 C ATOM 0 H ILE A 59 5.040 4.847 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 59 3.182 6.752 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 59 3.679 3.964 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.794 6.697 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.672 5.404 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.690 4.830 -6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.515 4.830 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.285 6.352 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.236 5.518 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.415 3.984 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.524 5.298 -6.988 1.00 0.00 H new ATOM 527 N LEU A 60 1.806 3.932 -2.065 1.00 0.00 N ATOM 528 CA LEU A 60 0.559 3.371 -1.566 1.00 0.00 C ATOM 529 C LEU A 60 0.073 4.199 -0.387 1.00 0.00 C ATOM 530 O LEU A 60 -1.125 4.429 -0.218 1.00 0.00 O ATOM 531 CB LEU A 60 0.747 1.909 -1.158 1.00 0.00 C ATOM 532 CG LEU A 60 1.168 0.975 -2.294 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.281 -0.456 -1.793 1.00 0.00 C ATOM 534 CD2 LEU A 60 0.183 1.064 -3.452 1.00 0.00 C ATOM 0 H LEU A 60 2.607 3.302 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.189 3.400 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.498 1.860 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.187 1.542 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 60 2.148 1.290 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.581 -1.106 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.027 -0.506 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.316 -0.783 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.499 0.393 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.810 0.776 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.155 2.087 -3.828 1.00 0.00 H new ATOM 546 N CYS A 61 1.028 4.673 0.404 1.00 0.00 N ATOM 547 CA CYS A 61 0.738 5.514 1.552 1.00 0.00 C ATOM 548 C CYS A 61 0.156 6.835 1.070 1.00 0.00 C ATOM 549 O CYS A 61 -0.704 7.428 1.718 1.00 0.00 O ATOM 550 CB CYS A 61 2.010 5.746 2.377 1.00 0.00 C ATOM 551 SG CYS A 61 2.398 4.398 3.515 1.00 0.00 S ATOM 0 H CYS A 61 2.021 4.484 0.266 1.00 0.00 H new ATOM 0 HA CYS A 61 0.009 5.018 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.851 5.889 1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.899 6.669 2.946 1.00 0.00 H new ATOM 0 HG CYS A 61 3.035 3.461 2.877 1.00 0.00 H new ATOM 557 N GLU A 62 0.624 7.271 -0.092 1.00 0.00 N ATOM 558 CA GLU A 62 0.152 8.503 -0.704 1.00 0.00 C ATOM 559 C GLU A 62 -1.280 8.328 -1.202 1.00 0.00 C ATOM 560 O GLU A 62 -2.100 9.242 -1.111 1.00 0.00 O ATOM 561 CB GLU A 62 1.073 8.888 -1.866 1.00 0.00 C ATOM 562 CG GLU A 62 2.495 9.204 -1.434 1.00 0.00 C ATOM 563 CD GLU A 62 3.373 9.649 -2.589 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.870 9.708 -3.730 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.564 9.938 -2.351 1.00 0.00 O ATOM 0 H GLU A 62 1.338 6.783 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 62 0.166 9.299 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.094 8.072 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.656 9.755 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.475 9.987 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.934 8.321 -0.969 1.00 0.00 H new ATOM 572 N LEU A 63 -1.565 7.141 -1.732 1.00 0.00 N ATOM 573 CA LEU A 63 -2.882 6.818 -2.257 1.00 0.00 C ATOM 574 C LEU A 63 -3.923 6.721 -1.144 1.00 0.00 C ATOM 575 O LEU A 63 -5.015 7.277 -1.258 1.00 0.00 O ATOM 576 CB LEU A 63 -2.798 5.501 -3.036 1.00 0.00 C ATOM 577 CG LEU A 63 -4.111 4.962 -3.612 1.00 0.00 C ATOM 578 CD1 LEU A 63 -4.953 4.299 -2.532 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.897 6.071 -4.295 1.00 0.00 C ATOM 0 H LEU A 63 -0.889 6.381 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.201 7.620 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.095 5.635 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.377 4.741 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.862 4.207 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.879 3.926 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.397 3.469 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.187 5.027 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.825 5.665 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.126 6.853 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.303 6.491 -5.107 1.00 0.00 H new ATOM 591 N ILE A 64 -3.589 5.999 -0.076 1.00 0.00 N ATOM 592 CA ILE A 64 -4.512 5.825 1.039 1.00 0.00 C ATOM 593 C ILE A 64 -4.959 7.170 1.601 1.00 0.00 C ATOM 594 O ILE A 64 -6.114 7.330 1.991 1.00 0.00 O ATOM 595 CB ILE A 64 -3.901 4.970 2.168 1.00 0.00 C ATOM 596 CG1 ILE A 64 -4.943 4.695 3.251 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.682 5.651 2.765 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.152 3.931 2.754 1.00 0.00 C ATOM 0 H ILE A 64 -2.691 5.528 0.039 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.380 5.298 0.643 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.583 4.019 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.475 4.131 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.273 5.644 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.270 5.028 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.930 5.796 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.970 6.619 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.847 3.773 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.645 4.502 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.835 2.966 2.357 1.00 0.00 H new ATOM 610 N ASN A 65 -4.048 8.141 1.631 1.00 0.00 N ATOM 611 CA ASN A 65 -4.375 9.470 2.137 1.00 0.00 C ATOM 612 C ASN A 65 -5.501 10.091 1.317 1.00 0.00 C ATOM 613 O ASN A 65 -6.365 10.784 1.856 1.00 0.00 O ATOM 614 CB ASN A 65 -3.145 10.382 2.114 1.00 0.00 C ATOM 615 CG ASN A 65 -2.124 10.010 3.172 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.442 9.949 4.360 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.888 9.773 2.751 1.00 0.00 N ATOM 0 H ASN A 65 -3.085 8.033 1.313 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.707 9.364 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.678 10.332 1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.460 11.415 2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.159 9.529 3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.667 9.834 1.757 1.00 0.00 H new ATOM 624 N LYS A 66 -5.488 9.834 0.013 1.00 0.00 N ATOM 625 CA LYS A 66 -6.500 10.356 -0.883 1.00 0.00 C ATOM 626 C LYS A 66 -7.875 9.798 -0.530 1.00 0.00 C ATOM 627 O LYS A 66 -8.844 10.543 -0.381 1.00 0.00 O ATOM 628 CB LYS A 66 -6.143 9.982 -2.318 1.00 0.00 C ATOM 629 CG LYS A 66 -4.798 10.512 -2.778 1.00 0.00 C ATOM 630 CD LYS A 66 -4.762 12.029 -2.761 1.00 0.00 C ATOM 631 CE LYS A 66 -3.448 12.551 -3.310 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.391 14.039 -3.303 1.00 0.00 N ATOM 0 H LYS A 66 -4.779 9.262 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.535 11.441 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.145 8.896 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.918 10.360 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.012 10.121 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.590 10.153 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.589 12.422 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.902 12.388 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.624 12.154 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.311 12.188 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.477 14.353 -3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.161 14.419 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.495 14.386 -2.328 1.00 0.00 H new ATOM 646 N LEU A 67 -7.945 8.478 -0.399 1.00 0.00 N ATOM 647 CA LEU A 67 -9.191 7.798 -0.066 1.00 0.00 C ATOM 648 C LEU A 67 -9.667 8.183 1.332 1.00 0.00 C ATOM 649 O LEU A 67 -10.844 8.474 1.543 1.00 0.00 O ATOM 650 CB LEU A 67 -8.995 6.284 -0.153 1.00 0.00 C ATOM 651 CG LEU A 67 -8.411 5.783 -1.476 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.236 4.272 -1.442 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.295 6.193 -2.644 1.00 0.00 C ATOM 0 H LEU A 67 -7.147 7.854 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.953 8.106 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.339 5.970 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.957 5.798 0.009 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.431 6.241 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.820 3.932 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.559 4.002 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.204 3.797 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.861 5.827 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.290 5.767 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.368 7.280 -2.681 1.00 0.00 H new ATOM 665 N GLN A 68 -8.738 8.180 2.282 1.00 0.00 N ATOM 666 CA GLN A 68 -9.044 8.527 3.662 1.00 0.00 C ATOM 667 C GLN A 68 -8.188 9.705 4.121 1.00 0.00 C ATOM 668 O GLN A 68 -6.961 9.622 4.145 1.00 0.00 O ATOM 669 CB GLN A 68 -8.802 7.319 4.572 1.00 0.00 C ATOM 670 CG GLN A 68 -9.088 7.591 6.041 1.00 0.00 C ATOM 671 CD GLN A 68 -8.791 6.401 6.937 1.00 0.00 C ATOM 672 OE1 GLN A 68 -8.291 5.317 6.351 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -9.004 6.456 8.148 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.761 7.939 2.118 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.093 8.816 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.428 6.492 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.766 6.998 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.492 8.443 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.135 7.872 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.389 7.306 8.560 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.796 5.651 8.739 1.00 0.00 H new ATOM 682 N PRO A 69 -8.831 10.826 4.483 1.00 0.00 N ATOM 683 CA PRO A 69 -8.135 12.032 4.936 1.00 0.00 C ATOM 684 C PRO A 69 -7.098 11.750 6.021 1.00 0.00 C ATOM 685 O PRO A 69 -7.414 11.172 7.061 1.00 0.00 O ATOM 686 CB PRO A 69 -9.264 12.891 5.501 1.00 0.00 C ATOM 687 CG PRO A 69 -10.476 12.467 4.762 1.00 0.00 C ATOM 688 CD PRO A 69 -10.292 11.009 4.465 1.00 0.00 C ATOM 0 HA PRO A 69 -7.573 12.499 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.381 12.734 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.064 13.952 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.374 12.633 5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.593 13.041 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.782 10.384 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.716 10.742 3.497 1.00 0.00 H new ATOM 696 N GLY A 70 -5.863 12.181 5.773 1.00 0.00 N ATOM 697 CA GLY A 70 -4.792 11.989 6.738 1.00 0.00 C ATOM 698 C GLY A 70 -4.640 10.549 7.193 1.00 0.00 C ATOM 699 O GLY A 70 -4.590 10.279 8.393 1.00 0.00 O ATOM 0 H GLY A 70 -5.584 12.662 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.853 12.324 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.980 12.619 7.608 1.00 0.00 H new ATOM 703 N SER A 71 -4.559 9.623 6.242 1.00 0.00 N ATOM 704 CA SER A 71 -4.405 8.209 6.574 1.00 0.00 C ATOM 705 C SER A 71 -3.086 7.964 7.302 1.00 0.00 C ATOM 706 O SER A 71 -3.074 7.579 8.471 1.00 0.00 O ATOM 707 CB SER A 71 -4.462 7.355 5.308 1.00 0.00 C ATOM 708 OG SER A 71 -5.723 7.463 4.674 1.00 0.00 O ATOM 0 H SER A 71 -4.597 9.823 5.243 1.00 0.00 H new ATOM 0 HA SER A 71 -5.226 7.926 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.678 7.668 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.267 6.313 5.560 1.00 0.00 H new ATOM 0 HG SER A 71 -6.035 8.391 4.722 1.00 0.00 H new ATOM 714 N VAL A 72 -1.978 8.196 6.603 1.00 0.00 N ATOM 715 CA VAL A 72 -0.653 8.008 7.181 1.00 0.00 C ATOM 716 C VAL A 72 -0.195 9.262 7.921 1.00 0.00 C ATOM 717 O VAL A 72 -0.314 10.374 7.406 1.00 0.00 O ATOM 718 CB VAL A 72 0.389 7.648 6.101 1.00 0.00 C ATOM 719 CG1 VAL A 72 1.773 7.504 6.714 1.00 0.00 C ATOM 720 CG2 VAL A 72 -0.011 6.372 5.375 1.00 0.00 C ATOM 0 H VAL A 72 -1.973 8.515 5.634 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.729 7.181 7.886 1.00 0.00 H new ATOM 0 HB VAL A 72 0.421 8.460 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.492 7.250 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.063 8.444 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.758 6.714 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.736 6.135 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.076 5.552 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.980 6.514 4.897 1.00 0.00 H new ATOM 730 N GLN A 73 0.330 9.077 9.129 1.00 0.00 N ATOM 731 CA GLN A 73 0.808 10.195 9.935 1.00 0.00 C ATOM 732 C GLN A 73 1.948 10.924 9.227 1.00 0.00 C ATOM 733 O GLN A 73 1.994 12.154 9.206 1.00 0.00 O ATOM 734 CB GLN A 73 1.269 9.704 11.308 1.00 0.00 C ATOM 735 CG GLN A 73 2.343 8.634 11.239 1.00 0.00 C ATOM 736 CD GLN A 73 2.753 8.127 12.607 1.00 0.00 C ATOM 737 OE1 GLN A 73 3.224 8.891 13.449 1.00 0.00 O ATOM 738 NE2 GLN A 73 2.574 6.832 12.836 1.00 0.00 N ATOM 0 H GLN A 73 0.435 8.164 9.571 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.017 10.894 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.648 10.551 11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.410 9.311 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.980 7.799 10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.218 9.036 10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.180 6.235 12.109 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.830 6.434 13.739 1.00 0.00 H new ATOM 747 N LYS A 74 2.857 10.151 8.643 1.00 0.00 N ATOM 748 CA LYS A 74 3.997 10.709 7.924 1.00 0.00 C ATOM 749 C LYS A 74 4.759 9.605 7.199 1.00 0.00 C ATOM 750 O LYS A 74 5.222 8.647 7.820 1.00 0.00 O ATOM 751 CB LYS A 74 4.932 11.443 8.890 1.00 0.00 C ATOM 752 CG LYS A 74 6.143 12.070 8.214 1.00 0.00 C ATOM 753 CD LYS A 74 5.734 13.126 7.199 1.00 0.00 C ATOM 754 CE LYS A 74 6.945 13.750 6.526 1.00 0.00 C ATOM 755 NZ LYS A 74 7.849 14.412 7.506 1.00 0.00 N ATOM 0 H LYS A 74 2.826 9.132 8.654 1.00 0.00 H new ATOM 0 HA LYS A 74 3.624 11.421 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.370 12.223 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.275 10.743 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.789 12.520 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.726 11.294 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.089 12.676 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.152 13.903 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.497 12.980 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.613 14.480 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.535 15.007 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.288 15.004 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.357 13.688 8.054 1.00 0.00 H new ATOM 769 N VAL A 75 4.879 9.740 5.882 1.00 0.00 N ATOM 770 CA VAL A 75 5.576 8.747 5.075 1.00 0.00 C ATOM 771 C VAL A 75 7.046 9.109 4.877 1.00 0.00 C ATOM 772 O VAL A 75 7.377 10.234 4.502 1.00 0.00 O ATOM 773 CB VAL A 75 4.901 8.571 3.701 1.00 0.00 C ATOM 774 CG1 VAL A 75 4.782 9.907 2.982 1.00 0.00 C ATOM 775 CG2 VAL A 75 5.664 7.564 2.856 1.00 0.00 C ATOM 0 H VAL A 75 4.503 10.526 5.352 1.00 0.00 H new ATOM 0 HA VAL A 75 5.522 7.806 5.622 1.00 0.00 H new ATOM 0 HB VAL A 75 3.894 8.186 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.303 9.758 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.183 10.591 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.776 10.330 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.172 7.453 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.685 7.915 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.683 6.601 3.366 1.00 0.00 H new ATOM 785 N ASN A 76 7.920 8.139 5.129 1.00 0.00 N ATOM 786 CA ASN A 76 9.359 8.335 4.976 1.00 0.00 C ATOM 787 C ASN A 76 9.821 7.918 3.583 1.00 0.00 C ATOM 788 O ASN A 76 9.332 6.933 3.029 1.00 0.00 O ATOM 789 CB ASN A 76 10.121 7.531 6.031 1.00 0.00 C ATOM 790 CG ASN A 76 9.702 7.879 7.445 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.794 9.031 7.868 1.00 0.00 O ATOM 792 ND2 ASN A 76 9.242 6.878 8.187 1.00 0.00 N ATOM 0 H ASN A 76 7.656 7.205 5.442 1.00 0.00 H new ATOM 0 HA ASN A 76 9.569 9.396 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.958 6.467 5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.190 7.712 5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.948 7.049 9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.183 5.938 7.795 1.00 0.00 H new ATOM 799 N ASP A 77 10.770 8.662 3.024 1.00 0.00 N ATOM 800 CA ASP A 77 11.300 8.355 1.699 1.00 0.00 C ATOM 801 C ASP A 77 11.902 6.949 1.676 1.00 0.00 C ATOM 802 O ASP A 77 12.570 6.541 2.626 1.00 0.00 O ATOM 803 CB ASP A 77 12.357 9.384 1.296 1.00 0.00 C ATOM 804 CG ASP A 77 11.803 10.793 1.245 1.00 0.00 C ATOM 805 OD1 ASP A 77 10.862 11.032 0.458 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.307 11.658 1.991 1.00 0.00 O ATOM 0 H ASP A 77 11.188 9.481 3.467 1.00 0.00 H new ATOM 0 HA ASP A 77 10.479 8.396 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.184 9.347 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.762 9.121 0.319 1.00 0.00 H new ATOM 811 N PRO A 78 11.669 6.185 0.593 1.00 0.00 N ATOM 812 CA PRO A 78 12.191 4.820 0.465 1.00 0.00 C ATOM 813 C PRO A 78 13.678 4.784 0.120 1.00 0.00 C ATOM 814 O PRO A 78 14.118 3.951 -0.673 1.00 0.00 O ATOM 815 CB PRO A 78 11.360 4.239 -0.679 1.00 0.00 C ATOM 816 CG PRO A 78 11.011 5.416 -1.525 1.00 0.00 C ATOM 817 CD PRO A 78 10.877 6.587 -0.586 1.00 0.00 C ATOM 0 HA PRO A 78 12.113 4.265 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.926 3.498 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.466 3.740 -0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.784 5.602 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.081 5.243 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.262 7.504 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.835 6.773 -0.324 1.00 0.00 H new ATOM 825 N VAL A 79 14.449 5.684 0.722 1.00 0.00 N ATOM 826 CA VAL A 79 15.886 5.743 0.478 1.00 0.00 C ATOM 827 C VAL A 79 16.602 4.584 1.164 1.00 0.00 C ATOM 828 O VAL A 79 17.317 3.813 0.522 1.00 0.00 O ATOM 829 CB VAL A 79 16.488 7.070 0.979 1.00 0.00 C ATOM 830 CG1 VAL A 79 17.974 7.140 0.658 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.747 8.254 0.378 1.00 0.00 C ATOM 0 H VAL A 79 14.104 6.381 1.381 1.00 0.00 H new ATOM 0 HA VAL A 79 16.029 5.673 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 79 16.374 7.112 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.380 8.084 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.491 6.313 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.117 7.073 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.187 9.182 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.825 8.219 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.697 8.211 0.668 1.00 0.00 H new ATOM 841 N GLN A 80 16.401 4.468 2.473 1.00 0.00 N ATOM 842 CA GLN A 80 17.020 3.405 3.255 1.00 0.00 C ATOM 843 C GLN A 80 16.302 2.074 3.026 1.00 0.00 C ATOM 844 O GLN A 80 16.060 1.683 1.885 1.00 0.00 O ATOM 845 CB GLN A 80 17.010 3.772 4.742 1.00 0.00 C ATOM 846 CG GLN A 80 17.777 5.046 5.058 1.00 0.00 C ATOM 847 CD GLN A 80 19.244 4.951 4.688 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.968 4.088 5.187 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.693 5.842 3.813 1.00 0.00 N ATOM 0 H GLN A 80 15.812 5.100 3.015 1.00 0.00 H new ATOM 0 HA GLN A 80 18.054 3.292 2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.978 3.887 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.438 2.949 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.324 5.880 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.688 5.265 6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.058 6.540 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.673 5.829 3.529 1.00 0.00 H new ATOM 858 N ASN A 81 15.962 1.385 4.113 1.00 0.00 N ATOM 859 CA ASN A 81 15.272 0.103 4.021 1.00 0.00 C ATOM 860 C ASN A 81 14.169 0.008 5.069 1.00 0.00 C ATOM 861 O ASN A 81 13.046 -0.400 4.769 1.00 0.00 O ATOM 862 CB ASN A 81 16.259 -1.051 4.203 1.00 0.00 C ATOM 863 CG ASN A 81 17.368 -1.039 3.169 1.00 0.00 C ATOM 864 OD1 ASN A 81 18.152 -0.094 3.092 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.440 -2.095 2.365 1.00 0.00 N ATOM 0 H ASN A 81 16.153 1.694 5.066 1.00 0.00 H new ATOM 0 HA ASN A 81 14.822 0.032 3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.696 -0.996 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.721 -1.997 4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.166 -2.143 1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.769 -2.857 2.463 1.00 0.00 H new ATOM 872 N TRP A 82 14.495 0.388 6.302 1.00 0.00 N ATOM 873 CA TRP A 82 13.530 0.345 7.393 1.00 0.00 C ATOM 874 C TRP A 82 12.397 1.341 7.157 1.00 0.00 C ATOM 875 O TRP A 82 11.289 1.164 7.663 1.00 0.00 O ATOM 876 CB TRP A 82 14.222 0.605 8.737 1.00 0.00 C ATOM 877 CG TRP A 82 14.904 1.936 8.836 1.00 0.00 C ATOM 878 CD1 TRP A 82 16.098 2.289 8.275 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.451 3.078 9.569 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.405 3.589 8.600 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.412 4.094 9.397 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.322 3.346 10.349 1.00 0.00 C ATOM 883 CZ2 TRP A 82 15.278 5.353 9.976 1.00 0.00 C ATOM 884 CZ3 TRP A 82 13.191 4.596 10.926 1.00 0.00 C ATOM 885 CH2 TRP A 82 14.165 5.586 10.736 1.00 0.00 C ATOM 0 H TRP A 82 15.419 0.728 6.568 1.00 0.00 H new ATOM 0 HA TRP A 82 13.094 -0.654 7.425 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.482 0.530 9.533 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.958 -0.180 8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.711 1.642 7.665 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.237 4.095 8.297 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.565 2.590 10.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 16.026 6.118 9.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 12.324 4.813 11.533 1.00 0.00 H new ATOM 0 HH2 TRP A 82 14.034 6.553 11.199 1.00 0.00 H new ATOM 896 N HIS A 83 12.679 2.382 6.375 1.00 0.00 N ATOM 897 CA HIS A 83 11.676 3.396 6.058 1.00 0.00 C ATOM 898 C HIS A 83 10.432 2.755 5.453 1.00 0.00 C ATOM 899 O HIS A 83 9.308 3.062 5.851 1.00 0.00 O ATOM 900 CB HIS A 83 12.253 4.429 5.085 1.00 0.00 C ATOM 901 CG HIS A 83 13.308 5.304 5.688 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.072 6.184 4.949 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.716 5.442 6.970 1.00 0.00 C ATOM 904 CE1 HIS A 83 14.905 6.822 5.752 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.708 6.390 6.983 1.00 0.00 N ATOM 0 H HIS A 83 13.592 2.545 5.950 1.00 0.00 H new ATOM 0 HA HIS A 83 11.395 3.896 6.985 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.674 3.909 4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.443 5.056 4.713 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.004 6.321 3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.332 4.905 7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.624 7.570 5.452 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.212 6.709 7.811 1.00 0.00 H new ATOM 914 N LYS A 84 10.642 1.858 4.493 1.00 0.00 N ATOM 915 CA LYS A 84 9.538 1.167 3.836 1.00 0.00 C ATOM 916 C LYS A 84 8.710 0.384 4.849 1.00 0.00 C ATOM 917 O LYS A 84 7.482 0.416 4.816 1.00 0.00 O ATOM 918 CB LYS A 84 10.070 0.220 2.759 1.00 0.00 C ATOM 919 CG LYS A 84 10.797 0.929 1.628 1.00 0.00 C ATOM 920 CD LYS A 84 11.338 -0.060 0.608 1.00 0.00 C ATOM 921 CE LYS A 84 11.966 0.653 -0.577 1.00 0.00 C ATOM 922 NZ LYS A 84 12.553 -0.306 -1.555 1.00 0.00 N ATOM 0 H LYS A 84 11.567 1.593 4.153 1.00 0.00 H new ATOM 0 HA LYS A 84 8.899 1.917 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.748 -0.498 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.238 -0.349 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.117 1.625 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.618 1.519 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.079 -0.704 1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.531 -0.705 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.212 1.263 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.742 1.331 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.971 0.220 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.290 -0.871 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.808 -0.937 -1.913 1.00 0.00 H new ATOM 936 N LEU A 85 9.394 -0.318 5.746 1.00 0.00 N ATOM 937 CA LEU A 85 8.734 -1.110 6.772 1.00 0.00 C ATOM 938 C LEU A 85 7.781 -0.252 7.599 1.00 0.00 C ATOM 939 O LEU A 85 6.730 -0.719 8.039 1.00 0.00 O ATOM 940 CB LEU A 85 9.783 -1.751 7.682 1.00 0.00 C ATOM 941 CG LEU A 85 10.755 -2.701 6.980 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.811 -3.199 7.956 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.006 -3.872 6.362 1.00 0.00 C ATOM 0 H LEU A 85 10.413 -0.353 5.781 1.00 0.00 H new ATOM 0 HA LEU A 85 8.150 -1.890 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.357 -0.959 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.270 -2.299 8.472 1.00 0.00 H new ATOM 0 HG LEU A 85 11.254 -2.153 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.494 -3.874 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.369 -2.351 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.327 -3.730 8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.714 -4.537 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.479 -4.420 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.287 -3.500 5.632 1.00 0.00 H new ATOM 955 N GLU A 86 8.160 1.003 7.806 1.00 0.00 N ATOM 956 CA GLU A 86 7.350 1.934 8.578 1.00 0.00 C ATOM 957 C GLU A 86 6.159 2.416 7.763 1.00 0.00 C ATOM 958 O GLU A 86 5.030 2.456 8.255 1.00 0.00 O ATOM 959 CB GLU A 86 8.192 3.124 9.021 1.00 0.00 C ATOM 960 CG GLU A 86 7.457 4.065 9.956 1.00 0.00 C ATOM 961 CD GLU A 86 6.995 3.391 11.235 1.00 0.00 C ATOM 962 OE1 GLU A 86 6.160 2.466 11.155 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.469 3.791 12.319 1.00 0.00 O ATOM 0 H GLU A 86 9.028 1.400 7.447 1.00 0.00 H new ATOM 0 HA GLU A 86 6.979 1.413 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.091 2.759 9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.517 3.678 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.110 4.901 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.592 4.480 9.438 1.00 0.00 H new ATOM 970 N ASN A 87 6.420 2.782 6.512 1.00 0.00 N ATOM 971 CA ASN A 87 5.381 3.259 5.620 1.00 0.00 C ATOM 972 C ASN A 87 4.293 2.207 5.461 1.00 0.00 C ATOM 973 O ASN A 87 3.103 2.516 5.507 1.00 0.00 O ATOM 974 CB ASN A 87 5.985 3.592 4.257 1.00 0.00 C ATOM 975 CG ASN A 87 7.173 4.534 4.346 1.00 0.00 C ATOM 976 OD1 ASN A 87 7.454 5.039 5.543 1.00 0.00 O flip ATOM 977 ND2 ASN A 87 7.829 4.812 3.345 1.00 0.00 N flip ATOM 0 H ASN A 87 7.351 2.755 6.095 1.00 0.00 H new ATOM 0 HA ASN A 87 4.936 4.158 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.297 2.669 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.218 4.042 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.582 4.404 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.621 5.451 3.415 1.00 0.00 H new ATOM 984 N ILE A 88 4.711 0.960 5.280 1.00 0.00 N ATOM 985 CA ILE A 88 3.768 -0.138 5.117 1.00 0.00 C ATOM 986 C ILE A 88 2.927 -0.318 6.374 1.00 0.00 C ATOM 987 O ILE A 88 1.731 -0.597 6.297 1.00 0.00 O ATOM 988 CB ILE A 88 4.478 -1.466 4.790 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.356 -1.311 3.545 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.450 -2.568 4.582 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.151 -2.555 3.202 1.00 0.00 C ATOM 0 H ILE A 88 5.693 0.685 5.243 1.00 0.00 H new ATOM 0 HA ILE A 88 3.124 0.124 4.277 1.00 0.00 H new ATOM 0 HB ILE A 88 5.119 -1.737 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.725 -1.048 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.045 -0.481 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.961 -3.503 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.860 -2.691 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.792 -2.300 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.749 -2.370 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.809 -2.807 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.468 -3.384 3.016 1.00 0.00 H new ATOM 1003 N GLY A 89 3.562 -0.156 7.532 1.00 0.00 N ATOM 1004 CA GLY A 89 2.855 -0.302 8.790 1.00 0.00 C ATOM 1005 C GLY A 89 1.677 0.645 8.901 1.00 0.00 C ATOM 1006 O GLY A 89 0.573 0.231 9.250 1.00 0.00 O ATOM 0 H GLY A 89 4.552 0.073 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.503 -1.329 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.544 -0.120 9.615 1.00 0.00 H new ATOM 1010 N ASN A 90 1.910 1.918 8.595 1.00 0.00 N ATOM 1011 CA ASN A 90 0.856 2.924 8.656 1.00 0.00 C ATOM 1012 C ASN A 90 -0.254 2.602 7.663 1.00 0.00 C ATOM 1013 O ASN A 90 -1.439 2.726 7.974 1.00 0.00 O ATOM 1014 CB ASN A 90 1.425 4.312 8.357 1.00 0.00 C ATOM 1015 CG ASN A 90 2.527 4.709 9.315 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.334 4.731 10.530 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.691 5.033 8.768 1.00 0.00 N ATOM 0 H ASN A 90 2.819 2.277 8.303 1.00 0.00 H new ATOM 0 HA ASN A 90 0.441 2.917 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.811 4.330 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.623 5.048 8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.472 5.315 9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.805 5.000 7.755 1.00 0.00 H new ATOM 1024 N PHE A 91 0.143 2.191 6.463 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.807 1.852 5.409 1.00 0.00 C ATOM 1026 C PHE A 91 -1.725 0.711 5.837 1.00 0.00 C ATOM 1027 O PHE A 91 -2.937 0.773 5.642 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.053 1.469 4.133 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.947 1.123 2.974 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.962 1.981 2.580 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.768 -0.062 2.278 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.781 1.663 1.513 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.584 -0.385 1.212 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.592 0.479 0.827 1.00 0.00 C ATOM 0 H PHE A 91 1.121 2.084 6.195 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.427 2.727 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.595 2.296 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.593 0.618 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.114 2.908 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.019 -0.741 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.568 2.340 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.435 -1.312 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.230 0.229 -0.008 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.137 -0.335 6.412 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.903 -1.494 6.859 1.00 0.00 C ATOM 1046 C LEU A 92 -2.828 -1.143 8.016 1.00 0.00 C ATOM 1047 O LEU A 92 -4.013 -1.457 7.982 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.962 -2.626 7.262 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.161 -3.226 6.109 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.922 -4.155 6.637 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.082 -3.968 5.156 1.00 0.00 C ATOM 0 H LEU A 92 -0.133 -0.403 6.579 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.523 -1.823 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.267 -2.253 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.546 -3.417 7.732 1.00 0.00 H new ATOM 0 HG LEU A 92 0.321 -2.415 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.482 -4.573 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.598 -3.595 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.462 -4.963 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.497 -4.390 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.590 -4.770 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.822 -3.276 4.753 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.290 -0.490 9.038 1.00 0.00 N ATOM 1064 CA ARG A 93 -3.091 -0.104 10.193 1.00 0.00 C ATOM 1065 C ARG A 93 -4.252 0.776 9.759 1.00 0.00 C ATOM 1066 O ARG A 93 -5.356 0.688 10.296 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.232 0.634 11.219 1.00 0.00 C ATOM 1068 CG ARG A 93 -1.069 -0.194 11.733 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.536 -1.542 12.242 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.423 -2.390 12.665 1.00 0.00 N ATOM 1071 CZ ARG A 93 0.399 -2.091 13.668 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.229 -0.973 14.361 1.00 0.00 N ATOM 1073 NH2 ARG A 93 1.391 -2.914 13.980 1.00 0.00 N ATOM 0 H ARG A 93 -1.308 -0.218 9.091 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.486 -1.009 10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.847 1.549 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.858 0.931 12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.341 -0.337 10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.563 0.344 12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.217 -1.395 13.080 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.099 -2.049 11.458 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.267 -3.263 12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.534 -0.338 14.126 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.861 -0.748 15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.524 -3.776 13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.021 -2.685 14.749 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.982 1.626 8.781 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.985 2.541 8.253 1.00 0.00 C ATOM 1089 C ALA A 94 -6.073 1.802 7.477 1.00 0.00 C ATOM 1090 O ALA A 94 -7.257 2.079 7.651 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.326 3.588 7.367 1.00 0.00 C ATOM 0 H ALA A 94 -3.069 1.702 8.333 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.461 3.034 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.086 4.266 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.599 4.153 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.820 3.096 6.537 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.667 0.872 6.612 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.621 0.114 5.803 1.00 0.00 C ATOM 1099 C ILE A 95 -7.384 -0.916 6.636 1.00 0.00 C ATOM 1100 O ILE A 95 -8.582 -1.115 6.440 1.00 0.00 O ATOM 1101 CB ILE A 95 -5.932 -0.597 4.615 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -4.935 -1.652 5.109 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.237 0.423 3.724 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.279 -2.436 3.993 1.00 0.00 C ATOM 0 H ILE A 95 -4.690 0.627 6.454 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.331 0.843 5.412 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.697 -1.108 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.162 -1.161 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.451 -2.345 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.756 -0.090 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.972 1.130 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.485 0.960 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.587 -3.163 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.043 -2.956 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.734 -1.754 3.341 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.687 -1.563 7.564 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.298 -2.564 8.426 1.00 0.00 C ATOM 1118 C LYS A 96 -8.446 -1.954 9.221 1.00 0.00 C ATOM 1119 O LYS A 96 -9.494 -2.574 9.401 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.250 -3.158 9.375 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.200 -4.009 8.676 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.190 -4.592 9.656 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.859 -5.497 10.680 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.877 -6.072 11.640 1.00 0.00 N ATOM 0 H LYS A 96 -5.694 -1.410 7.738 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.697 -3.363 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.752 -2.346 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.756 -3.766 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.691 -4.819 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.678 -3.404 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.436 -5.157 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.671 -3.782 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.613 -4.931 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.379 -6.305 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.373 -6.682 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.172 -6.634 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.399 -5.302 12.150 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.240 -0.726 9.680 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.249 -0.006 10.445 1.00 0.00 C ATOM 1140 C HIS A 97 -10.235 0.678 9.509 1.00 0.00 C ATOM 1141 O HIS A 97 -11.424 0.790 9.810 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.584 1.031 11.348 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.545 1.750 12.243 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.333 1.107 13.175 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.843 3.068 12.349 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -11.075 1.995 13.811 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.796 3.192 13.329 1.00 0.00 N ATOM 0 H HIS A 97 -7.376 -0.205 9.534 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.791 -0.721 11.064 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.830 0.537 11.961 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.063 1.760 10.728 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.411 3.871 11.770 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.789 1.779 14.592 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.220 4.068 13.635 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.721 1.143 8.374 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.539 1.832 7.380 1.00 0.00 C ATOM 1158 C TYR A 98 -11.760 1.001 7.003 1.00 0.00 C ATOM 1159 O TYR A 98 -12.873 1.522 6.921 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.712 2.134 6.128 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.448 2.949 5.086 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.013 4.177 5.404 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.571 2.489 3.779 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.681 4.924 4.452 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.237 3.231 2.822 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.791 4.447 3.163 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.453 5.188 2.213 1.00 0.00 O ATOM 0 H TYR A 98 -8.737 1.055 8.119 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.881 2.769 7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.809 2.669 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.393 1.193 5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.929 4.555 6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.139 1.537 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.115 5.877 4.717 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.323 2.860 1.811 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.802 5.666 1.658 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.549 -0.291 6.772 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.652 -1.160 6.406 1.00 0.00 C ATOM 1179 C GLY A 99 -12.207 -2.548 5.991 1.00 0.00 C ATOM 1180 O GLY A 99 -12.815 -3.542 6.386 1.00 0.00 O ATOM 0 H GLY A 99 -10.640 -0.749 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.337 -1.242 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.209 -0.704 5.587 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.155 -2.616 5.180 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.647 -3.897 4.701 1.00 0.00 C ATOM 1186 C VAL A 100 -10.299 -4.818 5.867 1.00 0.00 C ATOM 1187 O VAL A 100 -9.578 -4.430 6.786 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.403 -3.716 3.810 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.068 -5.021 3.102 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.631 -2.606 2.794 1.00 0.00 C ATOM 0 H VAL A 100 -10.640 -1.803 4.842 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.441 -4.350 4.107 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.561 -3.436 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.187 -4.879 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.866 -5.795 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.910 -5.324 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.742 -2.492 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.483 -2.859 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.831 -1.670 3.316 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.823 -6.040 5.821 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.577 -7.022 6.871 1.00 0.00 C ATOM 1202 C LYS A 101 -9.123 -7.490 6.863 1.00 0.00 C ATOM 1203 O LYS A 101 -8.543 -7.712 5.801 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.510 -8.224 6.702 1.00 0.00 C ATOM 1205 CG LYS A 101 -12.985 -7.863 6.772 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.867 -9.089 6.606 1.00 0.00 C ATOM 1207 CE LYS A 101 -15.342 -8.730 6.685 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.693 -8.109 7.993 1.00 0.00 N ATOM 0 H LYS A 101 -11.422 -6.374 5.066 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.776 -6.542 7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.306 -8.700 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.287 -8.958 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.199 -7.386 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.220 -7.136 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.658 -9.562 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.627 -9.818 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.592 -8.042 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.943 -9.627 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.727 -8.081 8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.282 -8.671 8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.315 -7.141 8.030 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.516 -7.648 8.053 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.124 -8.094 8.181 1.00 0.00 C ATOM 1224 C PRO A 102 -6.882 -9.430 7.484 1.00 0.00 C ATOM 1225 O PRO A 102 -5.840 -9.637 6.863 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.924 -8.239 9.691 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.971 -7.375 10.305 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.138 -7.404 9.368 1.00 0.00 C ATOM 0 HA PRO A 102 -6.431 -7.394 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.035 -9.277 10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.925 -7.920 9.989 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.253 -7.746 11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.606 -6.357 10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.844 -8.192 9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.689 -6.464 9.383 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.853 -10.331 7.595 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.756 -11.651 6.980 1.00 0.00 C ATOM 1238 C HIS A 103 -7.476 -11.527 5.482 1.00 0.00 C ATOM 1239 O HIS A 103 -6.794 -12.366 4.895 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.052 -12.434 7.209 1.00 0.00 C ATOM 1241 CG HIS A 103 -8.980 -13.877 6.806 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -7.947 -14.625 6.345 1.00 0.00 N flip ATOM 1243 CD2 HIS A 103 -10.065 -14.727 6.868 1.00 0.00 C flip ATOM 1244 CE1 HIS A 103 -8.423 -15.896 6.141 1.00 0.00 C flip ATOM 1245 NE2 HIS A 103 -9.702 -15.932 6.464 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.720 -10.170 8.108 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.929 -12.189 7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.316 -12.376 8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.857 -11.953 6.653 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.993 -14.303 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.056 -14.451 7.196 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.844 -16.731 5.775 1.00 0.00 H new ATOM 1254 N ASP A 104 -7.997 -10.465 4.877 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.799 -10.215 3.455 1.00 0.00 C ATOM 1256 C ASP A 104 -6.531 -9.407 3.251 1.00 0.00 C ATOM 1257 O ASP A 104 -5.812 -9.575 2.268 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.000 -9.465 2.875 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.283 -10.272 2.953 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.237 -11.415 3.457 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.333 -9.762 2.509 1.00 0.00 O ATOM 0 H ASP A 104 -8.562 -9.761 5.352 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.704 -11.169 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.132 -8.526 3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.797 -9.211 1.835 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.279 -8.522 4.200 1.00 0.00 N ATOM 1267 CA ILE A 105 -5.115 -7.659 4.169 1.00 0.00 C ATOM 1268 C ILE A 105 -3.830 -8.431 4.451 1.00 0.00 C ATOM 1269 O ILE A 105 -3.748 -9.193 5.415 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.269 -6.529 5.198 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.376 -5.573 4.759 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.958 -5.795 5.385 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.667 -4.478 5.757 1.00 0.00 C ATOM 0 H ILE A 105 -6.878 -8.383 5.014 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.045 -7.240 3.165 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.547 -6.961 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.096 -5.120 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.288 -6.144 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.088 -4.999 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.198 -6.492 5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.643 -5.365 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.464 -3.840 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.979 -4.921 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.769 -3.881 5.915 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.825 -8.217 3.611 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.536 -8.877 3.773 1.00 0.00 C ATOM 1287 C PHE A 106 -0.774 -8.274 4.954 1.00 0.00 C ATOM 1288 O PHE A 106 -1.385 -7.793 5.909 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.725 -8.757 2.474 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.558 -7.343 1.982 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.262 -6.445 2.648 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.218 -6.918 0.841 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.417 -5.151 2.186 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -1.066 -5.626 0.374 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.248 -4.741 1.048 1.00 0.00 C ATOM 0 H PHE A 106 -2.878 -7.590 2.809 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.698 -9.934 3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.261 -9.194 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.214 -9.345 1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.786 -6.760 3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.860 -7.605 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.058 -4.461 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.587 -5.309 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.129 -3.731 0.686 1.00 0.00 H new ATOM 1305 N GLU A 107 0.554 -8.288 4.884 1.00 0.00 N ATOM 1306 CA GLU A 107 1.378 -7.727 5.949 1.00 0.00 C ATOM 1307 C GLU A 107 2.670 -7.159 5.395 1.00 0.00 C ATOM 1308 O GLU A 107 3.149 -7.585 4.343 1.00 0.00 O ATOM 1309 CB GLU A 107 1.702 -8.778 7.008 1.00 0.00 C ATOM 1310 CG GLU A 107 0.490 -9.285 7.749 1.00 0.00 C ATOM 1311 CD GLU A 107 0.841 -10.269 8.847 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.430 -11.325 8.532 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.529 -9.984 10.023 1.00 0.00 O ATOM 0 H GLU A 107 1.081 -8.680 4.104 1.00 0.00 H new ATOM 0 HA GLU A 107 0.804 -6.924 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.203 -9.620 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.404 -8.354 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.045 -8.440 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.188 -9.763 7.042 1.00 0.00 H new ATOM 1320 N ALA A 108 3.232 -6.199 6.116 1.00 0.00 N ATOM 1321 CA ALA A 108 4.476 -5.570 5.712 1.00 0.00 C ATOM 1322 C ALA A 108 5.531 -6.618 5.390 1.00 0.00 C ATOM 1323 O ALA A 108 6.444 -6.368 4.607 1.00 0.00 O ATOM 1324 CB ALA A 108 4.973 -4.636 6.805 1.00 0.00 C ATOM 0 H ALA A 108 2.842 -5.839 6.987 1.00 0.00 H new ATOM 0 HA ALA A 108 4.289 -4.987 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.907 -4.171 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.227 -3.863 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.142 -5.204 7.720 1.00 0.00 H new ATOM 1330 N ASN A 109 5.402 -7.793 6.002 1.00 0.00 N ATOM 1331 CA ASN A 109 6.348 -8.870 5.780 1.00 0.00 C ATOM 1332 C ASN A 109 6.104 -9.553 4.440 1.00 0.00 C ATOM 1333 O ASN A 109 7.043 -9.882 3.719 1.00 0.00 O ATOM 1334 CB ASN A 109 6.238 -9.887 6.908 1.00 0.00 C ATOM 1335 CG ASN A 109 6.391 -9.256 8.274 1.00 0.00 C ATOM 1336 OD1 ASN A 109 5.620 -8.375 8.656 1.00 0.00 O ATOM 1337 ND2 ASN A 109 7.389 -9.705 9.018 1.00 0.00 N ATOM 0 H ASN A 109 4.650 -8.018 6.654 1.00 0.00 H new ATOM 0 HA ASN A 109 7.352 -8.446 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.271 -10.387 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.002 -10.653 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.544 -9.319 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.003 -10.437 8.660 1.00 0.00 H new ATOM 1344 N ASP A 110 4.835 -9.774 4.116 1.00 0.00 N ATOM 1345 CA ASP A 110 4.468 -10.430 2.868 1.00 0.00 C ATOM 1346 C ASP A 110 4.968 -9.641 1.661 1.00 0.00 C ATOM 1347 O ASP A 110 5.542 -10.209 0.732 1.00 0.00 O ATOM 1348 CB ASP A 110 2.949 -10.599 2.786 1.00 0.00 C ATOM 1349 CG ASP A 110 2.393 -11.391 3.953 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.827 -12.546 4.148 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.523 -10.856 4.671 1.00 0.00 O ATOM 0 H ASP A 110 4.043 -9.508 4.701 1.00 0.00 H new ATOM 0 HA ASP A 110 4.941 -11.412 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.478 -9.617 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.692 -11.101 1.854 1.00 0.00 H new ATOM 1356 N LEU A 111 4.740 -8.333 1.680 1.00 0.00 N ATOM 1357 CA LEU A 111 5.160 -7.466 0.583 1.00 0.00 C ATOM 1358 C LEU A 111 6.672 -7.243 0.591 1.00 0.00 C ATOM 1359 O LEU A 111 7.328 -7.353 -0.445 1.00 0.00 O ATOM 1360 CB LEU A 111 4.431 -6.124 0.666 1.00 0.00 C ATOM 1361 CG LEU A 111 4.789 -5.114 -0.428 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.449 -5.670 -1.803 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.065 -3.797 -0.193 1.00 0.00 C ATOM 0 H LEU A 111 4.267 -7.848 2.443 1.00 0.00 H new ATOM 0 HA LEU A 111 4.900 -7.961 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.358 -6.310 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.643 -5.674 1.636 1.00 0.00 H new ATOM 0 HG LEU A 111 5.863 -4.931 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.711 -4.938 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.011 -6.588 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.381 -5.883 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.331 -3.090 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.988 -3.966 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.357 -3.389 0.775 1.00 0.00 H new ATOM 1375 N PHE A 112 7.219 -6.918 1.760 1.00 0.00 N ATOM 1376 CA PHE A 112 8.654 -6.666 1.890 1.00 0.00 C ATOM 1377 C PHE A 112 9.470 -7.901 1.512 1.00 0.00 C ATOM 1378 O PHE A 112 10.381 -7.823 0.687 1.00 0.00 O ATOM 1379 CB PHE A 112 8.996 -6.242 3.319 1.00 0.00 C ATOM 1380 CG PHE A 112 10.434 -5.837 3.500 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.991 -4.833 2.720 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.226 -6.457 4.452 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.311 -4.459 2.888 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.547 -6.087 4.623 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.090 -5.086 3.840 1.00 0.00 C ATOM 0 H PHE A 112 6.693 -6.823 2.629 1.00 0.00 H new ATOM 0 HA PHE A 112 8.910 -5.859 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.354 -5.409 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.771 -7.065 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.387 -4.339 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.807 -7.239 5.068 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.733 -3.677 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.154 -6.580 5.368 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.122 -4.795 3.973 1.00 0.00 H new ATOM 1395 N GLU A 113 9.140 -9.036 2.118 1.00 0.00 N ATOM 1396 CA GLU A 113 9.841 -10.283 1.840 1.00 0.00 C ATOM 1397 C GLU A 113 9.421 -10.842 0.489 1.00 0.00 C ATOM 1398 O GLU A 113 10.040 -11.768 -0.034 1.00 0.00 O ATOM 1399 CB GLU A 113 9.571 -11.307 2.939 1.00 0.00 C ATOM 1400 CG GLU A 113 10.088 -10.880 4.303 1.00 0.00 C ATOM 1401 CD GLU A 113 11.584 -10.634 4.309 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.342 -11.579 4.005 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.997 -9.496 4.617 1.00 0.00 O ATOM 0 H GLU A 113 8.391 -9.118 2.805 1.00 0.00 H new ATOM 0 HA GLU A 113 10.910 -10.074 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.497 -11.484 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.034 -12.255 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.573 -9.971 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.847 -11.650 5.036 1.00 0.00 H new ATOM 1410 N ASN A 114 8.353 -10.272 -0.062 1.00 0.00 N ATOM 1411 CA ASN A 114 7.825 -10.705 -1.348 1.00 0.00 C ATOM 1412 C ASN A 114 7.340 -12.148 -1.272 1.00 0.00 C ATOM 1413 O ASN A 114 7.388 -12.883 -2.257 1.00 0.00 O ATOM 1414 CB ASN A 114 8.888 -10.567 -2.440 1.00 0.00 C ATOM 1415 CG ASN A 114 9.300 -9.126 -2.669 1.00 0.00 C ATOM 1416 OD1 ASN A 114 9.803 -8.462 -1.765 1.00 0.00 O ATOM 1417 ND2 ASN A 114 9.087 -8.637 -3.885 1.00 0.00 N ATOM 0 H ASN A 114 7.835 -9.505 0.367 1.00 0.00 H new ATOM 0 HA ASN A 114 6.979 -10.065 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.765 -11.153 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.504 -10.984 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.344 -7.673 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.667 -9.225 -4.605 1.00 0.00 H new ATOM 1424 N THR A 115 6.866 -12.544 -0.094 1.00 0.00 N ATOM 1425 CA THR A 115 6.364 -13.897 0.105 1.00 0.00 C ATOM 1426 C THR A 115 5.014 -14.074 -0.579 1.00 0.00 C ATOM 1427 O THR A 115 4.819 -15.006 -1.360 1.00 0.00 O ATOM 1428 CB THR A 115 6.220 -14.233 1.601 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.303 -13.325 2.223 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.566 -14.162 2.304 1.00 0.00 C ATOM 0 H THR A 115 6.820 -11.949 0.733 1.00 0.00 H new ATOM 0 HA THR A 115 7.091 -14.578 -0.337 1.00 0.00 H new ATOM 0 HB THR A 115 5.837 -15.250 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.390 -13.672 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.438 -14.403 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.252 -14.876 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.974 -13.156 2.209 1.00 0.00 H new ATOM 1438 N ASN A 116 4.088 -13.167 -0.286 1.00 0.00 N ATOM 1439 CA ASN A 116 2.756 -13.213 -0.876 1.00 0.00 C ATOM 1440 C ASN A 116 2.672 -12.303 -2.099 1.00 0.00 C ATOM 1441 O ASN A 116 2.876 -11.093 -1.997 1.00 0.00 O ATOM 1442 CB ASN A 116 1.703 -12.806 0.159 1.00 0.00 C ATOM 1443 CG ASN A 116 1.626 -13.783 1.315 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.616 -14.024 2.006 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.447 -14.353 1.531 1.00 0.00 N ATOM 0 H ASN A 116 4.236 -12.390 0.358 1.00 0.00 H new ATOM 0 HA ASN A 116 2.560 -14.236 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.937 -11.812 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.728 -12.740 -0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.335 -15.020 2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.347 -14.124 0.933 1.00 0.00 H new ATOM 1452 N HIS A 117 2.365 -12.890 -3.252 1.00 0.00 N ATOM 1453 CA HIS A 117 2.248 -12.128 -4.492 1.00 0.00 C ATOM 1454 C HIS A 117 0.785 -11.854 -4.819 1.00 0.00 C ATOM 1455 O HIS A 117 0.391 -10.709 -5.042 1.00 0.00 O ATOM 1456 CB HIS A 117 2.906 -12.883 -5.649 1.00 0.00 C ATOM 1457 CG HIS A 117 4.377 -13.112 -5.470 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.148 -13.793 -6.389 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.220 -12.744 -4.475 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.400 -13.834 -5.967 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.470 -13.204 -4.809 1.00 0.00 N ATOM 0 H HIS A 117 2.193 -13.890 -3.354 1.00 0.00 H new ATOM 0 HA HIS A 117 2.761 -11.176 -4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.411 -13.847 -5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.745 -12.325 -6.571 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.958 -12.192 -3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.225 -14.303 -6.482 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.316 -13.079 -4.252 1.00 0.00 H new ATOM 1470 N THR A 118 -0.015 -12.915 -4.843 1.00 0.00 N ATOM 1471 CA THR A 118 -1.436 -12.798 -5.139 1.00 0.00 C ATOM 1472 C THR A 118 -2.156 -12.034 -4.037 1.00 0.00 C ATOM 1473 O THR A 118 -3.023 -11.202 -4.303 1.00 0.00 O ATOM 1474 CB THR A 118 -2.087 -14.184 -5.298 1.00 0.00 C ATOM 1475 OG1 THR A 118 -3.466 -14.042 -5.661 1.00 0.00 O ATOM 1476 CG2 THR A 118 -1.979 -14.995 -4.014 1.00 0.00 C ATOM 0 H THR A 118 0.299 -13.868 -4.660 1.00 0.00 H new ATOM 0 HA THR A 118 -1.527 -12.252 -6.078 1.00 0.00 H new ATOM 0 HB THR A 118 -1.554 -14.715 -6.087 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.871 -14.929 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.448 -15.968 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.929 -15.132 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.483 -14.465 -3.206 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.789 -12.337 -2.800 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.388 -11.700 -1.635 1.00 0.00 C ATOM 1486 C GLN A 119 -2.285 -10.179 -1.728 1.00 0.00 C ATOM 1487 O GLN A 119 -3.224 -9.461 -1.386 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.699 -12.192 -0.363 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.417 -11.793 0.912 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.789 -12.430 1.025 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.914 -13.651 1.103 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.826 -11.603 1.025 1.00 0.00 N ATOM 0 H GLN A 119 -1.072 -13.027 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.444 -11.969 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.620 -13.278 -0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.683 -11.799 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.813 -12.082 1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.519 -10.708 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.676 -10.596 0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.774 -11.974 1.092 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.136 -9.697 -2.191 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.904 -8.262 -2.330 1.00 0.00 C ATOM 1503 C VAL A 120 -1.897 -7.626 -3.301 1.00 0.00 C ATOM 1504 O VAL A 120 -2.478 -6.579 -3.010 1.00 0.00 O ATOM 1505 CB VAL A 120 0.538 -7.978 -2.803 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.709 -6.523 -3.214 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.539 -8.354 -1.718 1.00 0.00 C ATOM 0 H VAL A 120 -0.349 -10.280 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.049 -7.817 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 120 0.731 -8.594 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.735 -6.356 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.025 -6.293 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.490 -5.877 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.550 -8.147 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.339 -7.769 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.445 -9.415 -1.488 1.00 0.00 H new ATOM 1517 N GLN A 121 -2.087 -8.259 -4.454 1.00 0.00 N ATOM 1518 CA GLN A 121 -3.010 -7.750 -5.465 1.00 0.00 C ATOM 1519 C GLN A 121 -4.454 -7.793 -4.972 1.00 0.00 C ATOM 1520 O GLN A 121 -5.210 -6.839 -5.157 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.874 -8.551 -6.760 1.00 0.00 C ATOM 1522 CG GLN A 121 -1.546 -8.333 -7.468 1.00 0.00 C ATOM 1523 CD GLN A 121 -1.358 -9.236 -8.676 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.333 -10.102 -8.938 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -0.341 -9.158 -9.367 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.615 -9.125 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.750 -6.709 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -2.988 -9.612 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -3.686 -8.278 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -1.477 -7.293 -7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -0.733 -8.506 -6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 121 0.384 -8.480 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -0.224 -9.771 -10.174 1.00 0.00 H new ATOM 1534 N SER A 122 -4.834 -8.905 -4.349 1.00 0.00 N ATOM 1535 CA SER A 122 -6.190 -9.070 -3.835 1.00 0.00 C ATOM 1536 C SER A 122 -6.525 -7.985 -2.816 1.00 0.00 C ATOM 1537 O SER A 122 -7.625 -7.432 -2.824 1.00 0.00 O ATOM 1538 CB SER A 122 -6.355 -10.452 -3.201 1.00 0.00 C ATOM 1539 OG SER A 122 -5.460 -10.629 -2.118 1.00 0.00 O ATOM 0 H SER A 122 -4.222 -9.705 -4.188 1.00 0.00 H new ATOM 0 HA SER A 122 -6.881 -8.979 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.380 -10.575 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.179 -11.223 -3.951 1.00 0.00 H new ATOM 0 HG SER A 122 -4.669 -10.067 -2.252 1.00 0.00 H new ATOM 1545 N THR A 123 -5.570 -7.685 -1.941 1.00 0.00 N ATOM 1546 CA THR A 123 -5.764 -6.667 -0.914 1.00 0.00 C ATOM 1547 C THR A 123 -6.084 -5.313 -1.540 1.00 0.00 C ATOM 1548 O THR A 123 -6.968 -4.595 -1.071 1.00 0.00 O ATOM 1549 CB THR A 123 -4.519 -6.527 -0.019 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.222 -7.781 0.606 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.733 -5.463 1.048 1.00 0.00 C ATOM 0 H THR A 123 -4.654 -8.133 -1.923 1.00 0.00 H new ATOM 0 HA THR A 123 -6.606 -6.990 -0.301 1.00 0.00 H new ATOM 0 HB THR A 123 -3.681 -6.225 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.868 -8.404 -0.063 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.839 -5.383 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.930 -4.503 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.583 -5.739 1.672 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.361 -4.972 -2.603 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.569 -3.705 -3.296 1.00 0.00 C ATOM 1561 C LEU A 124 -7.016 -3.572 -3.762 1.00 0.00 C ATOM 1562 O LEU A 124 -7.620 -2.505 -3.650 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.623 -3.592 -4.496 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.130 -3.557 -4.152 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.292 -3.504 -5.421 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.815 -2.370 -3.254 1.00 0.00 C ATOM 0 H LEU A 124 -4.626 -5.555 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.354 -2.898 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.806 -4.435 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.873 -2.687 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.880 -4.470 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.235 -3.480 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.495 -4.386 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.546 -2.608 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.750 -2.363 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.081 -1.445 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.388 -2.450 -2.330 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.565 -4.663 -4.286 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.940 -4.674 -4.774 1.00 0.00 C ATOM 1580 C ILE A 125 -9.927 -4.337 -3.658 1.00 0.00 C ATOM 1581 O ILE A 125 -10.858 -3.556 -3.855 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.309 -6.045 -5.372 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.309 -6.433 -6.465 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.726 -6.018 -5.928 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.560 -7.802 -7.063 1.00 0.00 C ATOM 0 H ILE A 125 -7.077 -5.554 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.005 -3.913 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.265 -6.794 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.345 -5.687 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.302 -6.407 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.971 -6.994 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.426 -5.780 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.796 -5.260 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.813 -8.007 -7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.494 -8.558 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.554 -7.827 -7.510 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.718 -4.933 -2.488 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.590 -4.702 -1.340 1.00 0.00 C ATOM 1599 C ALA A 126 -10.589 -3.234 -0.926 1.00 0.00 C ATOM 1600 O ALA A 126 -11.640 -2.662 -0.633 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.168 -5.582 -0.174 1.00 0.00 C ATOM 0 H ALA A 126 -8.951 -5.581 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.607 -4.964 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.826 -5.400 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.234 -6.630 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.141 -5.347 0.106 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.405 -2.631 -0.899 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.261 -1.229 -0.517 1.00 0.00 C ATOM 1609 C LEU A 127 -10.131 -0.328 -1.390 1.00 0.00 C ATOM 1610 O LEU A 127 -10.697 0.656 -0.914 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.795 -0.799 -0.622 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.517 0.664 -0.266 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -7.958 0.963 1.160 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.041 0.986 -0.447 1.00 0.00 C ATOM 0 H LEU A 127 -8.527 -3.093 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.592 -1.127 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.199 -1.435 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.452 -0.980 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.093 1.296 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.752 2.008 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.027 0.774 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.411 0.322 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.862 2.030 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.446 0.345 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.756 0.814 -1.485 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.225 -0.671 -2.670 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.019 0.104 -3.617 1.00 0.00 C ATOM 1628 C ALA A 128 -12.499 0.071 -3.254 1.00 0.00 C ATOM 1629 O ALA A 128 -13.187 1.088 -3.326 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.809 -0.418 -5.030 1.00 0.00 C ATOM 0 H ALA A 128 -9.760 -1.483 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.685 1.141 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.407 0.169 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.755 -0.334 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.114 -1.463 -5.081 1.00 0.00 H new ATOM 1636 N SER A 129 -12.982 -1.106 -2.871 1.00 0.00 N ATOM 1637 CA SER A 129 -14.382 -1.276 -2.501 1.00 0.00 C ATOM 1638 C SER A 129 -14.759 -0.370 -1.332 1.00 0.00 C ATOM 1639 O SER A 129 -15.836 0.224 -1.319 1.00 0.00 O ATOM 1640 CB SER A 129 -14.660 -2.735 -2.138 1.00 0.00 C ATOM 1641 OG SER A 129 -16.018 -2.923 -1.778 1.00 0.00 O ATOM 0 H SER A 129 -12.424 -1.957 -2.809 1.00 0.00 H new ATOM 0 HA SER A 129 -14.991 -0.996 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.413 -3.377 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.017 -3.036 -1.311 1.00 0.00 H new ATOM 0 HG SER A 129 -16.169 -3.865 -1.552 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.866 -0.271 -0.352 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.102 0.556 0.819 1.00 0.00 C ATOM 1649 C GLN A 130 -14.129 2.036 0.465 1.00 0.00 C ATOM 1650 O GLN A 130 -15.056 2.757 0.828 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.019 0.291 1.850 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.301 -0.900 2.755 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.513 -2.195 1.994 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -12.661 -3.177 2.257 1.00 0.00 O flip ATOM 1655 NE2 GLN A 130 -14.434 -2.315 1.185 1.00 0.00 N flip ATOM 0 H GLN A 130 -12.969 -0.757 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.078 0.296 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.073 0.126 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.894 1.181 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.469 -1.026 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.187 -0.690 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.067 -1.534 1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.564 -3.196 0.687 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.098 2.482 -0.239 1.00 0.00 N ATOM 1665 CA ALA A 131 -12.989 3.875 -0.640 1.00 0.00 C ATOM 1666 C ALA A 131 -14.180 4.304 -1.491 1.00 0.00 C ATOM 1667 O ALA A 131 -14.687 5.417 -1.351 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.686 4.092 -1.390 1.00 0.00 C ATOM 0 H ALA A 131 -12.322 1.895 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.991 4.493 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.608 5.137 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.847 3.836 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.667 3.459 -2.277 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.621 3.413 -2.374 1.00 0.00 N ATOM 1675 CA LYS A 132 -15.742 3.686 -3.247 1.00 0.00 C ATOM 1676 C LYS A 132 -17.023 3.921 -2.449 1.00 0.00 C ATOM 1677 O LYS A 132 -17.755 4.878 -2.703 1.00 0.00 O ATOM 1678 CB LYS A 132 -15.925 2.511 -4.203 1.00 0.00 C ATOM 1679 CG LYS A 132 -17.062 2.713 -5.172 1.00 0.00 C ATOM 1680 CD LYS A 132 -17.234 1.522 -6.104 1.00 0.00 C ATOM 1681 CE LYS A 132 -17.588 0.257 -5.337 1.00 0.00 C ATOM 1682 NZ LYS A 132 -17.764 -0.910 -6.245 1.00 0.00 N ATOM 0 H LYS A 132 -14.209 2.488 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.534 4.595 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.002 2.357 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -16.104 1.604 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -17.986 2.876 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.881 3.612 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.017 1.738 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -16.313 1.362 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -16.803 0.039 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -18.506 0.419 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.004 -1.753 -5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -18.530 -0.712 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -16.880 -1.081 -6.766 1.00 0.00 H new