USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 392 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 13 THR OG1 : rot 180:sc= -0.0957 USER MOD Set 1.2: A 14 SER OG : rot 180:sc=-0.00282 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 16 TYR OH : rot 99:sc= 1.08 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -6.43! C(o=-6.4!,f=-3.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -134:sc= -0.75! (180deg=-3.73!) USER MOD Single : A 38 ASN : amide:sc= -5.59! C(o=-5.6!,f=-18!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -2.65 K(o=-2.7,f=-4.9) USER MOD Single : A 48 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.46) USER MOD Single : A 55 GLN : amide:sc= -0.38 K(o=-0.38,f=-3.2!) USER MOD Single : A 56 LYS NZ :NH3+ -117:sc= -0.0336 (180deg=-1.34) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -5.27! C(o=-5.3!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.215 6.435 3.944 1.00 0.00 N ATOM 67 CA GLU A 8 1.978 5.717 2.936 1.00 0.00 C ATOM 68 C GLU A 8 1.042 5.143 1.871 1.00 0.00 C ATOM 69 O GLU A 8 0.083 4.444 2.194 1.00 0.00 O ATOM 70 CB GLU A 8 2.826 4.615 3.573 1.00 0.00 C ATOM 71 CG GLU A 8 4.312 4.976 3.534 1.00 0.00 C ATOM 72 CD GLU A 8 4.975 4.718 4.889 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.375 3.555 5.113 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.066 5.690 5.670 1.00 0.00 O ATOM 0 HA GLU A 8 2.658 6.419 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.512 4.461 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.662 3.675 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.812 4.390 2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.428 6.025 3.262 1.00 0.00 H new ATOM 81 N ILE A 9 1.353 5.459 0.622 1.00 0.00 N ATOM 82 CA ILE A 9 0.551 4.983 -0.492 1.00 0.00 C ATOM 83 C ILE A 9 1.308 3.870 -1.220 1.00 0.00 C ATOM 84 O ILE A 9 2.534 3.904 -1.309 1.00 0.00 O ATOM 85 CB ILE A 9 0.149 6.148 -1.399 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.003 6.947 -0.787 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.180 5.656 -2.810 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.336 6.219 -0.974 1.00 0.00 C ATOM 0 H ILE A 9 2.149 6.039 0.357 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.383 4.552 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 9 1.000 6.824 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.817 7.105 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.054 7.932 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.463 6.504 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.695 5.166 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.007 4.947 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.138 6.809 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.531 6.084 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.290 5.245 -0.488 1.00 0.00 H new ATOM 100 N ALA A 10 0.545 2.910 -1.722 1.00 0.00 N ATOM 101 CA ALA A 10 1.128 1.789 -2.440 1.00 0.00 C ATOM 102 C ALA A 10 0.354 1.563 -3.740 1.00 0.00 C ATOM 103 O ALA A 10 -0.876 1.556 -3.741 1.00 0.00 O ATOM 104 CB ALA A 10 1.130 0.552 -1.539 1.00 0.00 C ATOM 0 H ALA A 10 -0.472 2.885 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 10 2.164 2.000 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.567 -0.289 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.718 0.755 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.107 0.308 -1.254 1.00 0.00 H new ATOM 110 N GLN A 11 1.107 1.384 -4.816 1.00 0.00 N ATOM 111 CA GLN A 11 0.506 1.158 -6.119 1.00 0.00 C ATOM 112 C GLN A 11 0.398 -0.342 -6.401 1.00 0.00 C ATOM 113 O GLN A 11 1.410 -1.032 -6.509 1.00 0.00 O ATOM 114 CB GLN A 11 1.300 1.866 -7.219 1.00 0.00 C ATOM 115 CG GLN A 11 0.655 1.649 -8.589 1.00 0.00 C ATOM 116 CD GLN A 11 0.910 2.843 -9.511 1.00 0.00 C ATOM 117 OE1 GLN A 11 1.911 3.533 -9.413 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.050 3.047 -10.409 1.00 0.00 N ATOM 0 H GLN A 11 2.127 1.391 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.499 1.580 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.354 2.933 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.324 1.491 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.055 0.742 -9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.418 1.500 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.862 2.431 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.026 3.820 -11.070 1.00 0.00 H new ATOM 127 N VAL A 12 -0.840 -0.802 -6.513 1.00 0.00 N ATOM 128 CA VAL A 12 -1.094 -2.208 -6.780 1.00 0.00 C ATOM 129 C VAL A 12 -0.333 -2.629 -8.039 1.00 0.00 C ATOM 130 O VAL A 12 -0.364 -1.929 -9.050 1.00 0.00 O ATOM 131 CB VAL A 12 -2.600 -2.458 -6.879 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.892 -3.921 -7.217 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.311 -2.040 -5.591 1.00 0.00 C ATOM 0 H VAL A 12 -1.677 -0.226 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.730 -2.825 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.989 -1.843 -7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.970 -4.071 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.433 -4.172 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.482 -4.563 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.380 -2.228 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.916 -2.616 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.144 -0.978 -5.412 1.00 0.00 H new ATOM 143 N THR A 13 0.331 -3.771 -7.937 1.00 0.00 N ATOM 144 CA THR A 13 1.098 -4.293 -9.055 1.00 0.00 C ATOM 145 C THR A 13 0.484 -5.601 -9.558 1.00 0.00 C ATOM 146 O THR A 13 0.717 -6.003 -10.697 1.00 0.00 O ATOM 147 CB THR A 13 2.552 -4.439 -8.603 1.00 0.00 C ATOM 148 OG1 THR A 13 2.504 -5.446 -7.596 1.00 0.00 O ATOM 149 CG2 THR A 13 3.064 -3.199 -7.867 1.00 0.00 C ATOM 0 H THR A 13 0.354 -4.349 -7.097 1.00 0.00 H new ATOM 0 HA THR A 13 1.073 -3.611 -9.905 1.00 0.00 H new ATOM 0 HB THR A 13 3.183 -4.633 -9.470 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.407 -5.605 -7.249 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.100 -3.355 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.003 -2.333 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.453 -3.024 -6.981 1.00 0.00 H new ATOM 157 N SER A 14 -0.288 -6.230 -8.683 1.00 0.00 N ATOM 158 CA SER A 14 -0.937 -7.484 -9.024 1.00 0.00 C ATOM 159 C SER A 14 -2.326 -7.546 -8.384 1.00 0.00 C ATOM 160 O SER A 14 -2.497 -7.165 -7.228 1.00 0.00 O ATOM 161 CB SER A 14 -0.094 -8.680 -8.578 1.00 0.00 C ATOM 162 OG SER A 14 1.299 -8.458 -8.785 1.00 0.00 O ATOM 0 H SER A 14 -0.478 -5.894 -7.739 1.00 0.00 H new ATOM 0 HA SER A 14 -1.041 -7.531 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.277 -8.879 -7.522 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.405 -9.568 -9.128 1.00 0.00 H new ATOM 0 HG SER A 14 1.803 -9.243 -8.486 1.00 0.00 H new ATOM 168 N ALA A 15 -3.281 -8.029 -9.165 1.00 0.00 N ATOM 169 CA ALA A 15 -4.649 -8.145 -8.689 1.00 0.00 C ATOM 170 C ALA A 15 -4.710 -9.197 -7.580 1.00 0.00 C ATOM 171 O ALA A 15 -4.076 -10.246 -7.678 1.00 0.00 O ATOM 172 CB ALA A 15 -5.571 -8.481 -9.863 1.00 0.00 C ATOM 0 H ALA A 15 -3.135 -8.344 -10.124 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.990 -7.200 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.597 -8.568 -9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.512 -7.689 -10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.261 -9.425 -10.310 1.00 0.00 H new ATOM 178 N TYR A 16 -5.480 -8.880 -6.549 1.00 0.00 N ATOM 179 CA TYR A 16 -5.633 -9.784 -5.422 1.00 0.00 C ATOM 180 C TYR A 16 -7.064 -9.752 -4.883 1.00 0.00 C ATOM 181 O TYR A 16 -7.617 -8.679 -4.644 1.00 0.00 O ATOM 182 CB TYR A 16 -4.681 -9.274 -4.340 1.00 0.00 C ATOM 183 CG TYR A 16 -4.684 -10.114 -3.061 1.00 0.00 C ATOM 184 CD1 TYR A 16 -3.831 -11.193 -2.943 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.539 -9.794 -2.027 1.00 0.00 C ATOM 186 CE1 TYR A 16 -3.834 -11.984 -1.740 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.542 -10.585 -0.824 1.00 0.00 C ATOM 188 CZ TYR A 16 -4.689 -11.641 -0.739 1.00 0.00 C ATOM 189 OH TYR A 16 -4.692 -12.389 0.397 1.00 0.00 O ATOM 0 H TYR A 16 -6.005 -8.009 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.415 -10.809 -5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.669 -9.249 -4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.949 -8.248 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.162 -11.444 -3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.206 -8.950 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.172 -12.831 -1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.207 -10.345 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.160 -11.939 1.086 1.00 0.00 H new ATOM 269 N GLN A 23 -9.224 -9.552 5.312 1.00 0.00 N ATOM 270 CA GLN A 23 -8.375 -9.366 4.148 1.00 0.00 C ATOM 271 C GLN A 23 -8.993 -8.335 3.200 1.00 0.00 C ATOM 272 O GLN A 23 -10.209 -8.157 3.179 1.00 0.00 O ATOM 273 CB GLN A 23 -8.130 -10.694 3.430 1.00 0.00 C ATOM 274 CG GLN A 23 -7.078 -11.528 4.164 1.00 0.00 C ATOM 275 CD GLN A 23 -7.617 -12.920 4.498 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.134 -13.172 5.574 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.469 -13.807 3.518 1.00 0.00 N ATOM 0 HA GLN A 23 -7.409 -8.989 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.063 -11.254 3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.801 -10.504 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.185 -11.619 3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.781 -11.020 5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.027 -13.530 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.797 -14.765 3.643 1.00 0.00 H new ATOM 286 N LEU A 24 -8.125 -7.684 2.439 1.00 0.00 N ATOM 287 CA LEU A 24 -8.570 -6.677 1.492 1.00 0.00 C ATOM 288 C LEU A 24 -8.086 -7.052 0.090 1.00 0.00 C ATOM 289 O LEU A 24 -6.921 -7.401 -0.096 1.00 0.00 O ATOM 290 CB LEU A 24 -8.127 -5.284 1.943 1.00 0.00 C ATOM 291 CG LEU A 24 -8.257 -4.169 0.903 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.706 -4.024 0.432 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.695 -2.851 1.440 1.00 0.00 C ATOM 0 H LEU A 24 -7.116 -7.835 2.459 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.659 -6.644 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.711 -5.005 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.085 -5.340 2.258 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.661 -4.443 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.770 -3.225 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.038 -4.960 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.343 -3.783 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.799 -2.075 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.244 -2.559 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.641 -2.978 1.686 1.00 0.00 H new ATOM 305 N SER A 25 -9.004 -6.967 -0.862 1.00 0.00 N ATOM 306 CA SER A 25 -8.685 -7.294 -2.241 1.00 0.00 C ATOM 307 C SER A 25 -7.933 -6.131 -2.893 1.00 0.00 C ATOM 308 O SER A 25 -8.247 -4.968 -2.647 1.00 0.00 O ATOM 309 CB SER A 25 -9.950 -7.620 -3.037 1.00 0.00 C ATOM 310 OG SER A 25 -10.832 -8.473 -2.311 1.00 0.00 O ATOM 0 H SER A 25 -9.969 -6.676 -0.705 1.00 0.00 H new ATOM 0 HA SER A 25 -8.048 -8.179 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.467 -6.695 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.674 -8.099 -3.977 1.00 0.00 H new ATOM 0 HG SER A 25 -11.628 -8.657 -2.852 1.00 0.00 H new ATOM 316 N LEU A 26 -6.955 -6.487 -3.713 1.00 0.00 N ATOM 317 CA LEU A 26 -6.156 -5.488 -4.402 1.00 0.00 C ATOM 318 C LEU A 26 -6.404 -5.593 -5.908 1.00 0.00 C ATOM 319 O LEU A 26 -6.631 -6.684 -6.429 1.00 0.00 O ATOM 320 CB LEU A 26 -4.682 -5.618 -4.012 1.00 0.00 C ATOM 321 CG LEU A 26 -4.399 -5.834 -2.524 1.00 0.00 C ATOM 322 CD1 LEU A 26 -2.921 -6.150 -2.287 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.868 -4.635 -1.697 1.00 0.00 C ATOM 0 H LEU A 26 -6.698 -7.453 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.456 -4.485 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.252 -6.451 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.161 -4.716 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.971 -6.700 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.747 -6.299 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.651 -7.056 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.310 -5.320 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.655 -4.814 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.343 -3.738 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.941 -4.497 -1.832 1.00 0.00 H new ATOM 335 N ALA A 27 -6.353 -4.444 -6.566 1.00 0.00 N ATOM 336 CA ALA A 27 -6.570 -4.392 -8.001 1.00 0.00 C ATOM 337 C ALA A 27 -5.448 -3.583 -8.654 1.00 0.00 C ATOM 338 O ALA A 27 -4.981 -2.595 -8.089 1.00 0.00 O ATOM 339 CB ALA A 27 -7.954 -3.807 -8.288 1.00 0.00 C ATOM 0 H ALA A 27 -6.164 -3.541 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.545 -5.394 -8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.116 -3.768 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.717 -4.435 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.016 -2.800 -7.875 1.00 0.00 H new ATOM 345 N PRO A 28 -5.037 -4.043 -9.866 1.00 0.00 N ATOM 346 CA PRO A 28 -3.978 -3.372 -10.601 1.00 0.00 C ATOM 347 C PRO A 28 -4.485 -2.072 -11.228 1.00 0.00 C ATOM 348 O PRO A 28 -5.333 -2.097 -12.118 1.00 0.00 O ATOM 349 CB PRO A 28 -3.512 -4.387 -11.632 1.00 0.00 C ATOM 350 CG PRO A 28 -4.630 -5.410 -11.746 1.00 0.00 C ATOM 351 CD PRO A 28 -5.567 -5.209 -10.565 1.00 0.00 C ATOM 0 HA PRO A 28 -3.151 -3.065 -9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.321 -3.908 -12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.580 -4.860 -11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.168 -5.285 -12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.224 -6.421 -11.743 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.591 -5.040 -10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.582 -6.086 -9.918 1.00 0.00 H new ATOM 359 N GLY A 29 -3.943 -0.966 -10.739 1.00 0.00 N ATOM 360 CA GLY A 29 -4.330 0.342 -11.240 1.00 0.00 C ATOM 361 C GLY A 29 -5.116 1.123 -10.185 1.00 0.00 C ATOM 362 O GLY A 29 -5.771 2.115 -10.502 1.00 0.00 O ATOM 0 H GLY A 29 -3.239 -0.949 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.441 0.904 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.936 0.226 -12.139 1.00 0.00 H new ATOM 366 N GLN A 30 -5.025 0.646 -8.952 1.00 0.00 N ATOM 367 CA GLN A 30 -5.720 1.287 -7.849 1.00 0.00 C ATOM 368 C GLN A 30 -4.714 1.821 -6.827 1.00 0.00 C ATOM 369 O GLN A 30 -3.514 1.580 -6.947 1.00 0.00 O ATOM 370 CB GLN A 30 -6.711 0.325 -7.191 1.00 0.00 C ATOM 371 CG GLN A 30 -7.930 0.097 -8.087 1.00 0.00 C ATOM 372 CD GLN A 30 -9.132 -0.378 -7.268 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.220 0.168 -7.339 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.874 -1.424 -6.487 1.00 0.00 N ATOM 0 H GLN A 30 -4.481 -0.177 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.289 2.128 -8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.220 -0.627 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.031 0.728 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.182 1.022 -8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.691 -0.643 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.940 -1.834 -6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.610 -1.816 -5.900 1.00 0.00 H new ATOM 383 N LEU A 31 -5.240 2.536 -5.843 1.00 0.00 N ATOM 384 CA LEU A 31 -4.403 3.105 -4.801 1.00 0.00 C ATOM 385 C LEU A 31 -4.954 2.701 -3.432 1.00 0.00 C ATOM 386 O LEU A 31 -6.168 2.616 -3.248 1.00 0.00 O ATOM 387 CB LEU A 31 -4.271 4.618 -4.987 1.00 0.00 C ATOM 388 CG LEU A 31 -3.307 5.077 -6.084 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.395 6.590 -6.293 1.00 0.00 C ATOM 390 CD2 LEU A 31 -1.877 4.622 -5.783 1.00 0.00 C ATOM 0 H LEU A 31 -6.236 2.734 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.390 2.708 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.258 5.025 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.948 5.054 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.605 4.605 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.700 6.890 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.410 6.858 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.137 7.101 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.212 4.961 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.553 5.046 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.846 3.534 -5.724 1.00 0.00 H new ATOM 402 N ILE A 32 -4.036 2.461 -2.508 1.00 0.00 N ATOM 403 CA ILE A 32 -4.415 2.066 -1.161 1.00 0.00 C ATOM 404 C ILE A 32 -3.594 2.869 -0.150 1.00 0.00 C ATOM 405 O ILE A 32 -2.420 3.153 -0.383 1.00 0.00 O ATOM 406 CB ILE A 32 -4.289 0.551 -0.991 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.491 -0.171 -1.605 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.086 0.179 0.479 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.066 -1.491 -2.252 1.00 0.00 C ATOM 0 H ILE A 32 -3.031 2.532 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.464 2.297 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.403 0.219 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.237 -0.363 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.962 0.469 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.999 -0.904 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.176 0.649 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.938 0.526 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.939 -1.984 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.338 -1.293 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.618 -2.138 -1.498 1.00 0.00 H new ATOM 421 N LEU A 33 -4.244 3.212 0.953 1.00 0.00 N ATOM 422 CA LEU A 33 -3.589 3.976 2.001 1.00 0.00 C ATOM 423 C LEU A 33 -3.182 3.033 3.135 1.00 0.00 C ATOM 424 O LEU A 33 -4.038 2.464 3.811 1.00 0.00 O ATOM 425 CB LEU A 33 -4.479 5.135 2.454 1.00 0.00 C ATOM 426 CG LEU A 33 -3.787 6.235 3.262 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.768 7.354 3.617 1.00 0.00 C ATOM 428 CD2 LEU A 33 -3.104 5.656 4.503 1.00 0.00 C ATOM 0 H LEU A 33 -5.218 2.975 1.143 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.675 4.435 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.929 5.589 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.294 4.729 3.054 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.007 6.676 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.251 8.123 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.168 7.791 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.586 6.946 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.620 6.458 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.848 5.173 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.357 4.923 4.198 1.00 0.00 H new ATOM 440 N ILE A 34 -1.876 2.897 3.308 1.00 0.00 N ATOM 441 CA ILE A 34 -1.345 2.033 4.349 1.00 0.00 C ATOM 442 C ILE A 34 -1.713 2.605 5.719 1.00 0.00 C ATOM 443 O ILE A 34 -1.420 3.764 6.010 1.00 0.00 O ATOM 444 CB ILE A 34 0.158 1.821 4.155 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.467 1.356 2.730 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.717 0.860 5.206 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.229 0.028 2.424 1.00 0.00 C ATOM 0 H ILE A 34 -1.169 3.370 2.745 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.794 1.042 4.286 1.00 0.00 H new ATOM 0 HB ILE A 34 0.659 2.779 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.141 2.114 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.544 1.243 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.787 0.727 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.548 1.271 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.215 -0.104 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.007 -0.280 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.117 -0.734 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.307 0.151 2.525 1.00 0.00 H new ATOM 459 N LEU A 35 -2.351 1.768 6.523 1.00 0.00 N ATOM 460 CA LEU A 35 -2.763 2.176 7.855 1.00 0.00 C ATOM 461 C LEU A 35 -1.949 1.404 8.895 1.00 0.00 C ATOM 462 O LEU A 35 -1.653 1.925 9.969 1.00 0.00 O ATOM 463 CB LEU A 35 -4.276 2.021 8.019 1.00 0.00 C ATOM 464 CG LEU A 35 -5.139 2.675 6.938 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.487 1.963 6.807 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.305 4.173 7.201 1.00 0.00 C ATOM 0 H LEU A 35 -2.593 0.808 6.277 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.556 3.235 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.511 0.957 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.561 2.438 8.985 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.626 2.571 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.081 2.448 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.323 0.919 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.019 2.014 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.922 4.614 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.785 4.322 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.326 4.653 7.204 1.00 0.00 H new ATOM 478 N LYS A 36 -1.610 0.173 8.540 1.00 0.00 N ATOM 479 CA LYS A 36 -0.836 -0.676 9.429 1.00 0.00 C ATOM 480 C LYS A 36 0.125 -1.532 8.601 1.00 0.00 C ATOM 481 O LYS A 36 -0.208 -1.951 7.493 1.00 0.00 O ATOM 482 CB LYS A 36 -1.763 -1.491 10.333 1.00 0.00 C ATOM 483 CG LYS A 36 -1.119 -1.737 11.699 1.00 0.00 C ATOM 484 CD LYS A 36 -1.501 -0.636 12.691 1.00 0.00 C ATOM 485 CE LYS A 36 -2.270 -1.213 13.881 1.00 0.00 C ATOM 486 NZ LYS A 36 -1.355 -1.462 15.017 1.00 0.00 N ATOM 0 H LYS A 36 -1.857 -0.256 7.649 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.227 -0.070 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.708 -0.963 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.993 -2.445 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.436 -2.706 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.035 -1.775 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.601 -0.132 13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.111 0.115 12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.056 -0.521 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.759 -2.143 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.893 -1.854 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.620 -2.139 14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.908 -0.568 15.305 1.00 0.00 H new ATOM 500 N LYS A 37 1.298 -1.767 9.171 1.00 0.00 N ATOM 501 CA LYS A 37 2.309 -2.566 8.499 1.00 0.00 C ATOM 502 C LYS A 37 2.860 -3.609 9.474 1.00 0.00 C ATOM 503 O LYS A 37 2.952 -3.354 10.674 1.00 0.00 O ATOM 504 CB LYS A 37 3.386 -1.665 7.890 1.00 0.00 C ATOM 505 CG LYS A 37 2.955 -1.149 6.515 1.00 0.00 C ATOM 506 CD LYS A 37 4.149 -0.583 5.744 1.00 0.00 C ATOM 507 CE LYS A 37 3.685 0.190 4.507 1.00 0.00 C ATOM 508 NZ LYS A 37 4.849 0.666 3.727 1.00 0.00 N ATOM 0 H LYS A 37 1.571 -1.418 10.090 1.00 0.00 H new ATOM 0 HA LYS A 37 1.870 -3.111 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.579 -0.823 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.320 -2.219 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.500 -1.959 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.195 -0.377 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.727 0.075 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.811 -1.395 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.060 -0.450 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.071 1.038 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.706 1.662 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.711 0.580 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.949 0.091 2.866 1.00 0.00 H new ATOM 522 N ASN A 38 3.211 -4.761 8.922 1.00 0.00 N ATOM 523 CA ASN A 38 3.749 -5.843 9.728 1.00 0.00 C ATOM 524 C ASN A 38 4.912 -6.500 8.981 1.00 0.00 C ATOM 525 O ASN A 38 5.123 -6.235 7.798 1.00 0.00 O ATOM 526 CB ASN A 38 2.690 -6.915 9.990 1.00 0.00 C ATOM 527 CG ASN A 38 2.433 -7.751 8.735 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.900 -7.447 7.649 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.665 -8.817 8.942 1.00 0.00 N ATOM 0 H ASN A 38 3.133 -4.969 7.926 1.00 0.00 H new ATOM 0 HA ASN A 38 4.079 -5.423 10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.017 -7.564 10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.762 -6.443 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.434 -9.438 8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.307 -9.014 9.877 1.00 0.00 H new ATOM 536 N THR A 39 5.635 -7.345 9.701 1.00 0.00 N ATOM 537 CA THR A 39 6.770 -8.042 9.121 1.00 0.00 C ATOM 538 C THR A 39 6.297 -9.252 8.313 1.00 0.00 C ATOM 539 O THR A 39 6.910 -9.610 7.309 1.00 0.00 O ATOM 540 CB THR A 39 7.731 -8.406 10.255 1.00 0.00 C ATOM 541 OG1 THR A 39 8.712 -9.228 9.628 1.00 0.00 O ATOM 542 CG2 THR A 39 7.087 -9.324 11.296 1.00 0.00 C ATOM 0 H THR A 39 5.457 -7.563 10.681 1.00 0.00 H new ATOM 0 HA THR A 39 7.304 -7.408 8.414 1.00 0.00 H new ATOM 0 HB THR A 39 8.081 -7.495 10.741 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.377 -9.508 10.292 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.811 -9.552 12.078 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.223 -8.826 11.735 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.767 -10.249 10.817 1.00 0.00 H new ATOM 550 N SER A 40 5.210 -9.848 8.782 1.00 0.00 N ATOM 551 CA SER A 40 4.647 -11.010 8.115 1.00 0.00 C ATOM 552 C SER A 40 4.591 -10.771 6.605 1.00 0.00 C ATOM 553 O SER A 40 4.903 -11.664 5.820 1.00 0.00 O ATOM 554 CB SER A 40 3.252 -11.332 8.654 1.00 0.00 C ATOM 555 OG SER A 40 3.121 -12.706 9.008 1.00 0.00 O ATOM 0 H SER A 40 4.704 -9.548 9.616 1.00 0.00 H new ATOM 0 HA SER A 40 5.291 -11.866 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.048 -10.712 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.505 -11.079 7.902 1.00 0.00 H new ATOM 0 HG SER A 40 2.217 -12.871 9.349 1.00 0.00 H new ATOM 561 N GLY A 41 4.191 -9.560 6.244 1.00 0.00 N ATOM 562 CA GLY A 41 4.089 -9.193 4.842 1.00 0.00 C ATOM 563 C GLY A 41 2.681 -8.697 4.506 1.00 0.00 C ATOM 564 O GLY A 41 2.403 -8.335 3.364 1.00 0.00 O ATOM 0 H GLY A 41 3.934 -8.821 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.817 -8.415 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.334 -10.053 4.219 1.00 0.00 H new ATOM 568 N TRP A 42 1.830 -8.696 5.522 1.00 0.00 N ATOM 569 CA TRP A 42 0.458 -8.250 5.348 1.00 0.00 C ATOM 570 C TRP A 42 0.376 -6.789 5.794 1.00 0.00 C ATOM 571 O TRP A 42 0.877 -6.432 6.859 1.00 0.00 O ATOM 572 CB TRP A 42 -0.513 -9.161 6.101 1.00 0.00 C ATOM 573 CG TRP A 42 -0.623 -10.572 5.519 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.210 -11.606 5.699 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.663 -11.064 4.648 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.215 -12.724 5.011 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.391 -12.384 4.352 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.797 -10.416 4.129 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.206 -13.168 3.527 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.601 -11.213 3.306 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.341 -12.543 2.998 1.00 0.00 C ATOM 0 H TRP A 42 2.064 -8.997 6.468 1.00 0.00 H new ATOM 0 HA TRP A 42 0.162 -8.311 4.301 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.195 -9.232 7.141 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.501 -8.701 6.100 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.102 -11.569 6.306 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.248 -13.632 4.990 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.030 -9.384 4.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.972 -14.200 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.486 -10.763 2.880 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.012 -13.092 2.353 1.00 0.00 H new ATOM 592 N TRP A 43 -0.261 -5.983 4.957 1.00 0.00 N ATOM 593 CA TRP A 43 -0.415 -4.569 5.252 1.00 0.00 C ATOM 594 C TRP A 43 -1.911 -4.276 5.391 1.00 0.00 C ATOM 595 O TRP A 43 -2.727 -4.834 4.660 1.00 0.00 O ATOM 596 CB TRP A 43 0.265 -3.709 4.185 1.00 0.00 C ATOM 597 CG TRP A 43 1.789 -3.648 4.314 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.560 -4.206 5.257 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.700 -2.966 3.427 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.896 -3.935 5.044 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.984 -3.156 3.896 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.448 -2.212 2.267 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.116 -2.625 3.266 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.590 -1.689 1.650 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.889 -1.871 2.109 1.00 0.00 C ATOM 0 H TRP A 43 -0.676 -6.282 4.075 1.00 0.00 H new ATOM 0 HA TRP A 43 0.079 -4.314 6.190 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.009 -4.100 3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.135 -2.697 4.240 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.183 -4.794 6.081 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.676 -4.248 5.622 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.452 -2.049 1.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.111 -2.789 3.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.452 -1.102 0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.719 -1.433 1.575 1.00 0.00 H new ATOM 616 N GLN A 44 -2.224 -3.401 6.336 1.00 0.00 N ATOM 617 CA GLN A 44 -3.607 -3.027 6.580 1.00 0.00 C ATOM 618 C GLN A 44 -3.832 -1.559 6.214 1.00 0.00 C ATOM 619 O GLN A 44 -3.476 -0.663 6.978 1.00 0.00 O ATOM 620 CB GLN A 44 -3.998 -3.296 8.034 1.00 0.00 C ATOM 621 CG GLN A 44 -5.518 -3.384 8.186 1.00 0.00 C ATOM 622 CD GLN A 44 -5.921 -3.421 9.661 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.119 -3.211 10.556 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.206 -3.699 9.864 1.00 0.00 N ATOM 0 H GLN A 44 -1.544 -2.941 6.941 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.247 -3.641 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.541 -4.226 8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.611 -2.501 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.986 -2.528 7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.886 -4.278 7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.824 -3.864 9.069 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.574 -3.747 10.814 1.00 0.00 H new ATOM 633 N GLY A 45 -4.423 -1.357 5.045 1.00 0.00 N ATOM 634 CA GLY A 45 -4.700 -0.013 4.569 1.00 0.00 C ATOM 635 C GLY A 45 -6.148 0.111 4.090 1.00 0.00 C ATOM 636 O GLY A 45 -6.984 -0.734 4.404 1.00 0.00 O ATOM 0 H GLY A 45 -4.718 -2.102 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.515 0.705 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.021 0.235 3.753 1.00 0.00 H new ATOM 640 N GLU A 46 -6.400 1.173 3.337 1.00 0.00 N ATOM 641 CA GLU A 46 -7.732 1.418 2.812 1.00 0.00 C ATOM 642 C GLU A 46 -7.662 1.742 1.318 1.00 0.00 C ATOM 643 O GLU A 46 -6.874 2.588 0.899 1.00 0.00 O ATOM 644 CB GLU A 46 -8.427 2.541 3.585 1.00 0.00 C ATOM 645 CG GLU A 46 -9.880 2.175 3.894 1.00 0.00 C ATOM 646 CD GLU A 46 -10.273 2.632 5.301 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.363 2.681 6.156 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.475 2.921 5.488 1.00 0.00 O ATOM 0 H GLU A 46 -5.704 1.873 3.079 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.325 0.512 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.891 2.734 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.396 3.462 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.539 2.638 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.014 1.097 3.807 1.00 0.00 H new ATOM 655 N LEU A 47 -8.498 1.053 0.556 1.00 0.00 N ATOM 656 CA LEU A 47 -8.541 1.256 -0.882 1.00 0.00 C ATOM 657 C LEU A 47 -8.929 2.707 -1.176 1.00 0.00 C ATOM 658 O LEU A 47 -10.061 3.115 -0.919 1.00 0.00 O ATOM 659 CB LEU A 47 -9.462 0.228 -1.541 1.00 0.00 C ATOM 660 CG LEU A 47 -8.899 -0.484 -2.773 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.633 -1.802 -3.028 1.00 0.00 C ATOM 662 CD2 LEU A 47 -8.926 0.434 -3.997 1.00 0.00 C ATOM 0 H LEU A 47 -9.151 0.353 0.907 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.556 1.094 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.723 -0.526 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.387 0.729 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.855 -0.730 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.213 -2.288 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.518 -2.456 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.692 -1.603 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.521 -0.096 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.953 0.733 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.323 1.321 -3.800 1.00 0.00 H new ATOM 674 N GLN A 48 -7.968 3.447 -1.709 1.00 0.00 N ATOM 675 CA GLN A 48 -8.195 4.843 -2.041 1.00 0.00 C ATOM 676 C GLN A 48 -8.699 4.972 -3.479 1.00 0.00 C ATOM 677 O GLN A 48 -8.477 5.992 -4.130 1.00 0.00 O ATOM 678 CB GLN A 48 -6.925 5.670 -1.829 1.00 0.00 C ATOM 679 CG GLN A 48 -6.509 5.669 -0.356 1.00 0.00 C ATOM 680 CD GLN A 48 -7.646 6.176 0.534 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.988 7.347 0.541 1.00 0.00 O ATOM 682 NE2 GLN A 48 -8.208 5.232 1.283 1.00 0.00 N ATOM 0 H GLN A 48 -7.030 3.106 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.961 5.235 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.117 5.265 -2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.094 6.694 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.228 4.660 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.629 6.298 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.873 4.270 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.975 5.470 1.913 1.00 0.00 H new ATOM 800 N GLN A 55 -12.941 0.355 1.269 1.00 0.00 N ATOM 801 CA GLN A 55 -12.332 -0.961 1.362 1.00 0.00 C ATOM 802 C GLN A 55 -11.162 -0.936 2.349 1.00 0.00 C ATOM 803 O GLN A 55 -10.159 -0.266 2.111 1.00 0.00 O ATOM 804 CB GLN A 55 -11.878 -1.453 -0.014 1.00 0.00 C ATOM 805 CG GLN A 55 -12.916 -2.394 -0.629 1.00 0.00 C ATOM 806 CD GLN A 55 -13.539 -1.777 -1.883 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.228 -0.666 -2.280 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.434 -2.558 -2.482 1.00 0.00 N ATOM 0 HA GLN A 55 -13.080 -1.661 1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.718 -0.601 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.922 -1.969 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.446 -3.344 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.696 -2.608 0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.648 -3.478 -2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.907 -2.237 -3.327 1.00 0.00 H new ATOM 817 N LYS A 56 -11.331 -1.675 3.435 1.00 0.00 N ATOM 818 CA LYS A 56 -10.302 -1.746 4.459 1.00 0.00 C ATOM 819 C LYS A 56 -10.098 -3.206 4.870 1.00 0.00 C ATOM 820 O LYS A 56 -11.065 -3.925 5.121 1.00 0.00 O ATOM 821 CB LYS A 56 -10.644 -0.820 5.628 1.00 0.00 C ATOM 822 CG LYS A 56 -9.425 -0.596 6.524 1.00 0.00 C ATOM 823 CD LYS A 56 -9.489 -1.484 7.769 1.00 0.00 C ATOM 824 CE LYS A 56 -9.431 -0.644 9.046 1.00 0.00 C ATOM 825 NZ LYS A 56 -8.114 0.020 9.170 1.00 0.00 N ATOM 0 H LYS A 56 -12.165 -2.230 3.629 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.350 -1.388 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.000 0.137 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.456 -1.252 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.514 -0.812 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.376 0.451 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.409 -2.069 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.661 -2.192 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.223 0.105 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.608 -1.279 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.629 -0.328 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.537 -0.193 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.249 1.048 9.244 1.00 0.00 H new ATOM 839 N GLY A 57 -8.835 -3.600 4.928 1.00 0.00 N ATOM 840 CA GLY A 57 -8.492 -4.961 5.305 1.00 0.00 C ATOM 841 C GLY A 57 -6.985 -5.199 5.189 1.00 0.00 C ATOM 842 O GLY A 57 -6.223 -4.266 4.937 1.00 0.00 O ATOM 0 H GLY A 57 -8.036 -3.001 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.816 -5.151 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.025 -5.665 4.666 1.00 0.00 H new ATOM 846 N TRP A 58 -6.600 -6.452 5.378 1.00 0.00 N ATOM 847 CA TRP A 58 -5.198 -6.825 5.298 1.00 0.00 C ATOM 848 C TRP A 58 -4.949 -7.434 3.916 1.00 0.00 C ATOM 849 O TRP A 58 -5.820 -8.103 3.363 1.00 0.00 O ATOM 850 CB TRP A 58 -4.813 -7.763 6.443 1.00 0.00 C ATOM 851 CG TRP A 58 -4.832 -7.102 7.822 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.892 -6.852 8.603 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.690 -6.614 8.558 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.519 -6.240 9.783 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.137 -6.091 9.754 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.325 -6.614 8.223 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.284 -5.530 10.712 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.485 -6.049 9.190 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.919 -5.519 10.399 1.00 0.00 C ATOM 0 H TRP A 58 -7.235 -7.223 5.586 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.559 -5.949 5.413 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.497 -8.612 6.449 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.815 -8.159 6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.911 -7.098 8.342 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.142 -5.951 10.537 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.953 -7.018 7.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.658 -5.128 11.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.426 -6.023 8.982 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.207 -5.100 11.094 1.00 0.00 H new ATOM 870 N PHE A 59 -3.756 -7.180 3.399 1.00 0.00 N ATOM 871 CA PHE A 59 -3.381 -7.695 2.093 1.00 0.00 C ATOM 872 C PHE A 59 -1.861 -7.818 1.967 1.00 0.00 C ATOM 873 O PHE A 59 -1.119 -7.180 2.713 1.00 0.00 O ATOM 874 CB PHE A 59 -3.887 -6.692 1.055 1.00 0.00 C ATOM 875 CG PHE A 59 -3.159 -5.346 1.083 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.867 -5.264 0.668 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.805 -4.233 1.522 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.191 -4.015 0.694 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.129 -2.984 1.548 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.836 -2.902 1.134 1.00 0.00 C ATOM 0 H PHE A 59 -3.036 -6.624 3.861 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.812 -8.685 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.783 -7.129 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.951 -6.521 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.355 -6.148 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.832 -4.299 1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.165 -3.949 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.642 -2.100 1.896 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.322 -1.953 1.155 1.00 0.00 H new ATOM 890 N PRO A 60 -1.432 -8.664 0.993 1.00 0.00 N ATOM 891 CA PRO A 60 -0.014 -8.879 0.760 1.00 0.00 C ATOM 892 C PRO A 60 0.612 -7.680 0.043 1.00 0.00 C ATOM 893 O PRO A 60 0.080 -7.205 -0.959 1.00 0.00 O ATOM 894 CB PRO A 60 0.062 -10.162 -0.051 1.00 0.00 C ATOM 895 CG PRO A 60 -1.326 -10.366 -0.637 1.00 0.00 C ATOM 896 CD PRO A 60 -2.281 -9.436 0.091 1.00 0.00 C ATOM 0 HA PRO A 60 0.554 -8.975 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.811 -10.082 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.349 -11.005 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.324 -10.151 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.641 -11.403 -0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.810 -8.787 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.037 -9.996 0.641 1.00 0.00 H new ATOM 904 N ALA A 61 1.732 -7.226 0.586 1.00 0.00 N ATOM 905 CA ALA A 61 2.436 -6.092 0.010 1.00 0.00 C ATOM 906 C ALA A 61 3.110 -6.524 -1.293 1.00 0.00 C ATOM 907 O ALA A 61 3.540 -5.683 -2.082 1.00 0.00 O ATOM 908 CB ALA A 61 3.436 -5.541 1.029 1.00 0.00 C ATOM 0 H ALA A 61 2.169 -7.622 1.418 1.00 0.00 H new ATOM 0 HA ALA A 61 1.739 -5.289 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.964 -4.691 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.904 -5.221 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.154 -6.318 1.292 1.00 0.00 H new ATOM 914 N SER A 62 3.181 -7.834 -1.480 1.00 0.00 N ATOM 915 CA SER A 62 3.796 -8.387 -2.674 1.00 0.00 C ATOM 916 C SER A 62 2.897 -8.141 -3.888 1.00 0.00 C ATOM 917 O SER A 62 3.304 -8.377 -5.024 1.00 0.00 O ATOM 918 CB SER A 62 4.068 -9.884 -2.511 1.00 0.00 C ATOM 919 OG SER A 62 5.121 -10.331 -3.361 1.00 0.00 O ATOM 0 H SER A 62 2.823 -8.528 -0.824 1.00 0.00 H new ATOM 0 HA SER A 62 4.751 -7.886 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.326 -10.095 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.160 -10.444 -2.734 1.00 0.00 H new ATOM 0 HG SER A 62 5.265 -11.291 -3.226 1.00 0.00 H new ATOM 925 N HIS A 63 1.692 -7.669 -3.605 1.00 0.00 N ATOM 926 CA HIS A 63 0.732 -7.388 -4.659 1.00 0.00 C ATOM 927 C HIS A 63 0.771 -5.898 -5.004 1.00 0.00 C ATOM 928 O HIS A 63 0.284 -5.488 -6.057 1.00 0.00 O ATOM 929 CB HIS A 63 -0.666 -7.869 -4.263 1.00 0.00 C ATOM 930 CG HIS A 63 -0.974 -9.283 -4.695 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.681 -9.578 -5.847 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.662 -10.479 -4.118 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.786 -10.895 -5.949 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.154 -11.451 -4.875 1.00 0.00 N ATOM 0 H HIS A 63 1.358 -7.474 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 63 1.002 -7.941 -5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.770 -7.800 -3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.407 -7.198 -4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.108 -10.612 -3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.284 -11.433 -6.742 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.073 -12.450 -4.685 1.00 0.00 H new ATOM 942 N VAL A 64 1.354 -5.128 -4.098 1.00 0.00 N ATOM 943 CA VAL A 64 1.463 -3.693 -4.293 1.00 0.00 C ATOM 944 C VAL A 64 2.939 -3.293 -4.294 1.00 0.00 C ATOM 945 O VAL A 64 3.810 -4.118 -4.021 1.00 0.00 O ATOM 946 CB VAL A 64 0.645 -2.956 -3.230 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.701 -3.647 -2.998 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.430 -2.832 -1.923 1.00 0.00 C ATOM 0 H VAL A 64 1.756 -5.471 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 64 1.048 -3.407 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 64 0.446 -1.949 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.263 -3.104 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.268 -3.660 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.532 -4.670 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.826 -2.304 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.674 -3.826 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.350 -2.277 -2.103 1.00 0.00 H new ATOM 958 N LYS A 65 3.176 -2.027 -4.605 1.00 0.00 N ATOM 959 CA LYS A 65 4.533 -1.507 -4.646 1.00 0.00 C ATOM 960 C LYS A 65 4.556 -0.104 -4.036 1.00 0.00 C ATOM 961 O LYS A 65 3.802 0.772 -4.457 1.00 0.00 O ATOM 962 CB LYS A 65 5.087 -1.567 -6.071 1.00 0.00 C ATOM 963 CG LYS A 65 6.151 -0.490 -6.291 1.00 0.00 C ATOM 964 CD LYS A 65 6.647 -0.497 -7.738 1.00 0.00 C ATOM 965 CE LYS A 65 6.292 0.813 -8.445 1.00 0.00 C ATOM 966 NZ LYS A 65 6.686 0.756 -9.870 1.00 0.00 N ATOM 0 H LYS A 65 2.451 -1.346 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 65 5.197 -2.128 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.517 -2.551 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.276 -1.433 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.738 0.489 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.989 -0.658 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.727 -0.643 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.203 -1.336 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.221 0.998 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.796 1.646 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.438 1.653 -10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.712 0.602 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.185 -0.026 -10.338 1.00 0.00 H new ATOM 980 N LEU A 66 5.428 0.065 -3.053 1.00 0.00 N ATOM 981 CA LEU A 66 5.559 1.346 -2.381 1.00 0.00 C ATOM 982 C LEU A 66 5.921 2.421 -3.407 1.00 0.00 C ATOM 983 O LEU A 66 6.797 2.214 -4.245 1.00 0.00 O ATOM 984 CB LEU A 66 6.551 1.244 -1.221 1.00 0.00 C ATOM 985 CG LEU A 66 5.947 0.968 0.157 1.00 0.00 C ATOM 986 CD1 LEU A 66 7.021 1.007 1.245 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.795 1.930 0.454 1.00 0.00 C ATOM 0 H LEU A 66 6.051 -0.664 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 66 4.610 1.639 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.264 0.452 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.115 2.175 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 66 5.531 -0.040 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.564 0.808 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.777 0.250 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.488 1.992 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.384 1.712 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.163 2.956 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.016 1.809 -0.299 1.00 0.00 H new ATOM 999 N LEU A 67 5.228 3.546 -3.308 1.00 0.00 N ATOM 1000 CA LEU A 67 5.466 4.654 -4.218 1.00 0.00 C ATOM 1001 C LEU A 67 6.542 5.570 -3.629 1.00 0.00 C ATOM 1002 O LEU A 67 6.730 6.692 -4.096 1.00 0.00 O ATOM 1003 CB LEU A 67 4.155 5.374 -4.540 1.00 0.00 C ATOM 1004 CG LEU A 67 3.195 4.633 -5.473 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.198 5.600 -6.114 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.964 3.825 -6.521 1.00 0.00 C ATOM 0 H LEU A 67 4.502 3.714 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 67 5.845 4.288 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.636 5.577 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.394 6.339 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 67 2.619 3.924 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.527 5.048 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.617 6.093 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.738 6.349 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.259 3.308 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.582 4.497 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.600 3.094 -6.022 1.00 0.00 H new