USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -33:sc= 0.196 USER MOD Set 1.2: A 94 SER OG : rot 108:sc= 0.514 USER MOD Set 2.1: A 41 TYR OH : rot -16:sc= 1.2 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.396 K(o=2.8,f=-3.2!) USER MOD Set 2.3: A 85 SER OG : rot -30:sc= 1.21 USER MOD Set 3.1: A 34 SER OG : rot -121:sc= 1.22 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.435 USER MOD Set 3.3: A 86 GLN : amide:sc= -0.041 K(o=1.6,f=0.13) USER MOD Single : A 1 THR N :NH3+ 150:sc= 0.0506 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -38:sc= 0.0633 USER MOD Single : A 10 THR OG1 : rot -140:sc= 0.0492 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 0.28 (180deg=0.0689) USER MOD Single : A 38 ASN : amide:sc= -0.0544 X(o=-0.054,f=-0.046) USER MOD Single : A 43 SER OG : rot 180:sc= -0.169 USER MOD Single : A 45 SER OG : rot 80:sc= 1.01 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.232 K(o=-0.23,f=-3!) USER MOD Single : A 60 SER OG : rot -32:sc= 0.0499 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0364 USER MOD Single : A 68 SER OG : rot -64:sc= 0.796 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00745 USER MOD Single : A 81 ASN : amide:sc= 0.885 K(o=0.88,f=-0.28) USER MOD Single : A 84 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.16) USER MOD Single : A 87 MET CE :methyl 167:sc=-0.00396 (180deg=-0.191) USER MOD Single : A 89 SER OG : rot 180:sc= 0.032 USER MOD Single : A 92 SER OG : rot -170:sc= 0.642 USER MOD Single : A 96 THR OG1 : rot 180:sc= 1 USER MOD Single : A 98 THR OG1 : rot 4:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.577 -7.139 0.090 1.00 0.00 N ATOM 2 CA THR A 1 -17.604 -6.404 -0.731 1.00 0.00 C ATOM 3 C THR A 1 -16.208 -6.926 -0.391 1.00 0.00 C ATOM 4 O THR A 1 -15.930 -7.187 0.780 1.00 0.00 O ATOM 5 CB THR A 1 -17.798 -4.879 -0.590 1.00 0.00 C ATOM 6 OG1 THR A 1 -17.130 -4.189 -1.628 1.00 0.00 O ATOM 7 CG2 THR A 1 -17.382 -4.296 0.767 1.00 0.00 C ATOM 0 H1 THR A 1 -19.398 -6.531 0.283 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.889 -7.990 -0.420 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.133 -7.417 0.989 1.00 0.00 H new ATOM 0 HA THR A 1 -17.757 -6.583 -1.795 1.00 0.00 H new ATOM 0 HB THR A 1 -18.875 -4.730 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 1 -17.267 -3.225 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 1 -17.555 -3.220 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 1 -17.971 -4.760 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 1 -16.324 -4.493 0.939 1.00 0.00 H new ATOM 16 N ALA A 2 -15.365 -7.159 -1.394 1.00 0.00 N ATOM 17 CA ALA A 2 -14.220 -8.059 -1.308 1.00 0.00 C ATOM 18 C ALA A 2 -13.021 -7.406 -2.012 1.00 0.00 C ATOM 19 O ALA A 2 -13.216 -6.511 -2.848 1.00 0.00 O ATOM 20 CB ALA A 2 -14.609 -9.401 -1.951 1.00 0.00 C ATOM 0 H ALA A 2 -15.462 -6.717 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.935 -8.247 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.765 -10.089 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.459 -9.827 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.879 -9.240 -2.995 1.00 0.00 H new ATOM 26 N PRO A 3 -11.781 -7.798 -1.663 1.00 0.00 N ATOM 27 CA PRO A 3 -10.573 -7.160 -2.162 1.00 0.00 C ATOM 28 C PRO A 3 -10.406 -7.251 -3.677 1.00 0.00 C ATOM 29 O PRO A 3 -11.119 -7.990 -4.361 1.00 0.00 O ATOM 30 CB PRO A 3 -9.408 -7.840 -1.438 1.00 0.00 C ATOM 31 CG PRO A 3 -9.966 -9.198 -1.034 1.00 0.00 C ATOM 32 CD PRO A 3 -11.426 -8.875 -0.748 1.00 0.00 C ATOM 0 HA PRO A 3 -10.618 -6.089 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.540 -7.943 -2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.089 -7.265 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.861 -9.935 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.459 -9.602 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.058 -9.748 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.563 -8.568 0.289 1.00 0.00 H new ATOM 40 N ILE A 4 -9.381 -6.568 -4.180 1.00 0.00 N ATOM 41 CA ILE A 4 -9.041 -6.460 -5.587 1.00 0.00 C ATOM 42 C ILE A 4 -7.778 -7.306 -5.727 1.00 0.00 C ATOM 43 O ILE A 4 -6.792 -7.077 -5.022 1.00 0.00 O ATOM 44 CB ILE A 4 -8.775 -4.981 -5.984 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.866 -3.981 -5.561 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.517 -4.842 -7.493 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.263 -2.756 -4.862 1.00 0.00 C ATOM 0 H ILE A 4 -8.736 -6.051 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.844 -6.799 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.882 -4.716 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.428 -3.661 -6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.572 -4.472 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.335 -3.795 -7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.646 -5.436 -7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.387 -5.196 -8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.061 -2.070 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.723 -3.075 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.576 -2.251 -5.541 1.00 0.00 H new ATOM 59 N ALA A 5 -7.793 -8.289 -6.624 1.00 0.00 N ATOM 60 CA ALA A 5 -6.614 -9.098 -6.869 1.00 0.00 C ATOM 61 C ALA A 5 -5.791 -8.282 -7.849 1.00 0.00 C ATOM 62 O ALA A 5 -6.191 -8.084 -9.002 1.00 0.00 O ATOM 63 CB ALA A 5 -6.982 -10.467 -7.446 1.00 0.00 C ATOM 0 H ALA A 5 -8.606 -8.539 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.065 -9.314 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.074 -11.046 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.624 -10.998 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.510 -10.334 -8.390 1.00 0.00 H new ATOM 69 N ILE A 6 -4.657 -7.782 -7.373 1.00 0.00 N ATOM 70 CA ILE A 6 -3.763 -6.923 -8.127 1.00 0.00 C ATOM 71 C ILE A 6 -2.646 -7.820 -8.667 1.00 0.00 C ATOM 72 O ILE A 6 -2.647 -9.025 -8.418 1.00 0.00 O ATOM 73 CB ILE A 6 -3.357 -5.695 -7.272 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.756 -5.927 -5.870 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.609 -4.830 -7.063 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.363 -6.544 -5.863 1.00 0.00 C ATOM 0 H ILE A 6 -4.328 -7.970 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.219 -6.454 -8.999 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.549 -5.249 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.717 -4.973 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.427 -6.574 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.352 -3.957 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.993 -4.506 -8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.372 -5.413 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.025 -6.668 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.393 -7.516 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.672 -5.889 -6.395 1.00 0.00 H new ATOM 88 N THR A 7 -1.721 -7.294 -9.462 1.00 0.00 N ATOM 89 CA THR A 7 -0.700 -8.104 -10.139 1.00 0.00 C ATOM 90 C THR A 7 0.707 -7.749 -9.651 1.00 0.00 C ATOM 91 O THR A 7 1.669 -7.817 -10.409 1.00 0.00 O ATOM 92 CB THR A 7 -0.988 -8.026 -11.656 1.00 0.00 C ATOM 93 OG1 THR A 7 -0.210 -8.872 -12.482 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.842 -6.608 -12.190 1.00 0.00 C ATOM 0 H THR A 7 -1.653 -6.296 -9.659 1.00 0.00 H new ATOM 0 HA THR A 7 -0.748 -9.163 -9.883 1.00 0.00 H new ATOM 0 HB THR A 7 -2.018 -8.377 -11.714 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.708 -8.908 -12.141 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.053 -6.598 -13.259 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.544 -5.951 -11.676 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.176 -6.257 -12.018 1.00 0.00 H new ATOM 102 N CYS A 8 0.822 -7.344 -8.381 1.00 0.00 N ATOM 103 CA CYS A 8 2.059 -7.065 -7.641 1.00 0.00 C ATOM 104 C CYS A 8 3.054 -6.100 -8.319 1.00 0.00 C ATOM 105 O CYS A 8 4.147 -5.868 -7.817 1.00 0.00 O ATOM 106 CB CYS A 8 2.676 -8.420 -7.296 1.00 0.00 C ATOM 107 SG CYS A 8 1.665 -9.445 -6.186 1.00 0.00 S ATOM 0 H CYS A 8 -0.004 -7.192 -7.803 1.00 0.00 H new ATOM 0 HA CYS A 8 1.802 -6.501 -6.744 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.852 -8.971 -8.220 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.649 -8.255 -6.833 1.00 0.00 H new ATOM 112 N PHE A 9 2.616 -5.398 -9.359 1.00 0.00 N ATOM 113 CA PHE A 9 3.332 -4.339 -10.066 1.00 0.00 C ATOM 114 C PHE A 9 2.479 -3.055 -9.990 1.00 0.00 C ATOM 115 O PHE A 9 2.882 -1.968 -10.400 1.00 0.00 O ATOM 116 CB PHE A 9 3.586 -4.833 -11.501 1.00 0.00 C ATOM 117 CG PHE A 9 4.611 -4.110 -12.362 1.00 0.00 C ATOM 118 CD1 PHE A 9 5.345 -2.992 -11.911 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.857 -4.614 -13.654 1.00 0.00 C ATOM 120 CE1 PHE A 9 6.281 -2.374 -12.756 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.792 -3.993 -14.498 1.00 0.00 C ATOM 122 CZ PHE A 9 6.505 -2.872 -14.050 1.00 0.00 C ATOM 0 H PHE A 9 1.692 -5.564 -9.757 1.00 0.00 H new ATOM 0 HA PHE A 9 4.301 -4.103 -9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.887 -5.879 -11.440 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.634 -4.806 -12.031 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.186 -2.611 -10.913 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.322 -5.486 -13.999 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.831 -1.512 -12.409 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.962 -4.379 -15.492 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.224 -2.393 -14.698 1.00 0.00 H new ATOM 132 N THR A 10 1.267 -3.185 -9.454 1.00 0.00 N ATOM 133 CA THR A 10 0.267 -2.178 -9.197 1.00 0.00 C ATOM 134 C THR A 10 0.784 -1.211 -8.121 1.00 0.00 C ATOM 135 O THR A 10 1.011 -1.602 -6.972 1.00 0.00 O ATOM 136 CB THR A 10 -1.011 -2.933 -8.782 1.00 0.00 C ATOM 137 OG1 THR A 10 -1.176 -4.115 -9.568 1.00 0.00 O ATOM 138 CG2 THR A 10 -2.265 -2.068 -8.910 1.00 0.00 C ATOM 0 H THR A 10 0.936 -4.104 -9.161 1.00 0.00 H new ATOM 0 HA THR A 10 0.046 -1.563 -10.069 1.00 0.00 H new ATOM 0 HB THR A 10 -0.887 -3.199 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.123 -4.227 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.138 -2.646 -8.606 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.169 -1.191 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.383 -1.750 -9.946 1.00 0.00 H new ATOM 146 N ARG A 11 1.035 0.042 -8.497 1.00 0.00 N ATOM 147 CA ARG A 11 1.412 1.120 -7.588 1.00 0.00 C ATOM 148 C ARG A 11 0.160 1.767 -7.001 1.00 0.00 C ATOM 149 O ARG A 11 -0.946 1.577 -7.516 1.00 0.00 O ATOM 150 CB ARG A 11 2.253 2.131 -8.386 1.00 0.00 C ATOM 151 CG ARG A 11 3.612 1.525 -8.780 1.00 0.00 C ATOM 152 CD ARG A 11 4.321 2.334 -9.865 1.00 0.00 C ATOM 153 NE ARG A 11 3.620 2.196 -11.153 1.00 0.00 N ATOM 154 CZ ARG A 11 4.133 2.441 -12.363 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.376 2.891 -12.480 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.387 2.233 -13.442 1.00 0.00 N ATOM 0 H ARG A 11 0.980 0.342 -9.470 1.00 0.00 H new ATOM 0 HA ARG A 11 1.999 0.742 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.712 2.433 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.410 3.030 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.250 1.468 -7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.463 0.504 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.360 3.384 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.351 1.993 -9.967 1.00 0.00 H new ATOM 0 HE ARG A 11 2.650 1.883 -11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.941 3.050 -11.646 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.766 3.077 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.432 1.889 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.769 2.417 -14.370 1.00 0.00 H new ATOM 170 N GLY A 12 0.331 2.600 -5.972 1.00 0.00 N ATOM 171 CA GLY A 12 -0.752 3.392 -5.388 1.00 0.00 C ATOM 172 C GLY A 12 -1.375 4.380 -6.387 1.00 0.00 C ATOM 173 O GLY A 12 -2.467 4.897 -6.138 1.00 0.00 O ATOM 0 H GLY A 12 1.233 2.744 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.527 2.721 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.370 3.944 -4.529 1.00 0.00 H new ATOM 177 N LEU A 13 -0.735 4.583 -7.542 1.00 0.00 N ATOM 178 CA LEU A 13 -1.169 5.469 -8.614 1.00 0.00 C ATOM 179 C LEU A 13 -2.436 4.910 -9.255 1.00 0.00 C ATOM 180 O LEU A 13 -3.331 5.662 -9.636 1.00 0.00 O ATOM 181 CB LEU A 13 -0.105 5.495 -9.732 1.00 0.00 C ATOM 182 CG LEU A 13 1.332 5.931 -9.401 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.236 5.693 -10.614 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.420 7.405 -9.005 1.00 0.00 C ATOM 0 H LEU A 13 0.141 4.109 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.331 6.460 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.052 4.492 -10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.473 6.154 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 13 1.658 5.333 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.253 6.003 -10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.230 4.633 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.869 6.273 -11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.456 7.661 -8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.063 8.025 -9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.804 7.582 -8.123 1.00 0.00 H new ATOM 196 N ASP A 14 -2.496 3.588 -9.407 1.00 0.00 N ATOM 197 CA ASP A 14 -3.558 2.892 -10.115 1.00 0.00 C ATOM 198 C ASP A 14 -4.850 2.792 -9.318 1.00 0.00 C ATOM 199 O ASP A 14 -5.929 2.886 -9.908 1.00 0.00 O ATOM 200 CB ASP A 14 -3.069 1.500 -10.528 1.00 0.00 C ATOM 201 CG ASP A 14 -2.230 1.600 -11.796 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.112 2.159 -11.762 1.00 0.00 O ATOM 203 OD2 ASP A 14 -2.718 1.156 -12.861 1.00 0.00 O ATOM 0 H ASP A 14 -1.787 2.959 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.797 3.483 -10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.479 1.059 -9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.921 0.841 -10.696 1.00 0.00 H new ATOM 208 N ILE A 15 -4.769 2.608 -7.998 1.00 0.00 N ATOM 209 CA ILE A 15 -5.935 2.363 -7.152 1.00 0.00 C ATOM 210 C ILE A 15 -6.167 3.615 -6.313 1.00 0.00 C ATOM 211 O ILE A 15 -5.591 3.797 -5.238 1.00 0.00 O ATOM 212 CB ILE A 15 -5.795 1.031 -6.375 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.583 -0.112 -7.398 1.00 0.00 C ATOM 214 CG2 ILE A 15 -7.048 0.744 -5.522 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.518 -1.520 -6.809 1.00 0.00 C ATOM 0 H ILE A 15 -3.887 2.625 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.842 2.205 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.944 1.102 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.393 -0.079 -8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.658 0.078 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.918 -0.198 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.191 1.551 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.922 0.676 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.368 -2.243 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.689 -1.582 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.451 -1.741 -6.291 1.00 0.00 H new ATOM 227 N ARG A 16 -7.036 4.492 -6.816 1.00 0.00 N ATOM 228 CA ARG A 16 -7.306 5.804 -6.237 1.00 0.00 C ATOM 229 C ARG A 16 -8.574 5.782 -5.387 1.00 0.00 C ATOM 230 O ARG A 16 -9.193 6.821 -5.162 1.00 0.00 O ATOM 231 CB ARG A 16 -7.359 6.869 -7.357 1.00 0.00 C ATOM 232 CG ARG A 16 -6.141 6.934 -8.309 1.00 0.00 C ATOM 233 CD ARG A 16 -4.929 7.747 -7.822 1.00 0.00 C ATOM 234 NE ARG A 16 -4.251 7.171 -6.651 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.474 7.473 -5.369 1.00 0.00 C ATOM 236 NH1 ARG A 16 -5.289 8.472 -5.029 1.00 0.00 N ATOM 237 NH2 ARG A 16 -3.912 6.707 -4.448 1.00 0.00 N ATOM 0 H ARG A 16 -7.583 4.304 -7.656 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.493 6.073 -5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.251 6.689 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.480 7.847 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.810 5.915 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.473 7.353 -9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.211 7.833 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.257 8.757 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.536 6.468 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.754 9.020 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.448 8.688 -4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.331 5.917 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.060 6.907 -3.459 1.00 0.00 H new ATOM 251 N LYS A 17 -8.973 4.610 -4.886 1.00 0.00 N ATOM 252 CA LYS A 17 -10.091 4.513 -3.950 1.00 0.00 C ATOM 253 C LYS A 17 -9.578 5.050 -2.622 1.00 0.00 C ATOM 254 O LYS A 17 -8.381 4.947 -2.335 1.00 0.00 O ATOM 255 CB LYS A 17 -10.581 3.066 -3.784 1.00 0.00 C ATOM 256 CG LYS A 17 -11.102 2.373 -5.057 1.00 0.00 C ATOM 257 CD LYS A 17 -12.280 3.087 -5.743 1.00 0.00 C ATOM 258 CE LYS A 17 -11.816 4.216 -6.676 1.00 0.00 C ATOM 259 NZ LYS A 17 -12.930 5.058 -7.142 1.00 0.00 N ATOM 0 H LYS A 17 -8.537 3.716 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.944 5.082 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.761 2.471 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.377 3.057 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.282 2.289 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.409 1.359 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.858 2.361 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.945 3.497 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.089 4.838 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.306 3.784 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.564 5.804 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.613 4.473 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.402 5.494 -6.324 1.00 0.00 H new ATOM 273 N GLU A 18 -10.468 5.614 -1.810 1.00 0.00 N ATOM 274 CA GLU A 18 -10.075 6.140 -0.516 1.00 0.00 C ATOM 275 C GLU A 18 -9.554 5.001 0.361 1.00 0.00 C ATOM 276 O GLU A 18 -8.601 5.199 1.117 1.00 0.00 O ATOM 277 CB GLU A 18 -11.233 6.902 0.124 1.00 0.00 C ATOM 278 CG GLU A 18 -10.902 7.399 1.530 1.00 0.00 C ATOM 279 CD GLU A 18 -12.027 8.281 2.033 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.106 7.744 2.368 1.00 0.00 O ATOM 281 OE2 GLU A 18 -11.841 9.522 2.046 1.00 0.00 O ATOM 0 H GLU A 18 -11.459 5.716 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.263 6.857 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.496 7.752 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.109 6.255 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.761 6.553 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.966 7.957 1.519 1.00 0.00 H new ATOM 288 N LYS A 19 -10.147 3.812 0.252 1.00 0.00 N ATOM 289 CA LYS A 19 -9.682 2.605 0.910 1.00 0.00 C ATOM 290 C LYS A 19 -9.945 1.445 -0.038 1.00 0.00 C ATOM 291 O LYS A 19 -10.952 1.445 -0.752 1.00 0.00 O ATOM 292 CB LYS A 19 -10.303 2.429 2.304 1.00 0.00 C ATOM 293 CG LYS A 19 -11.822 2.614 2.410 1.00 0.00 C ATOM 294 CD LYS A 19 -12.296 2.456 3.863 1.00 0.00 C ATOM 295 CE LYS A 19 -11.858 3.616 4.772 1.00 0.00 C ATOM 296 NZ LYS A 19 -10.871 3.218 5.803 1.00 0.00 N ATOM 0 H LYS A 19 -10.984 3.665 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.612 2.659 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.056 1.430 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.826 3.138 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.098 3.601 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.326 1.883 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.383 2.382 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.907 1.521 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.430 4.408 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.737 4.034 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.267 4.032 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.371 2.900 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.281 2.443 5.438 1.00 0.00 H new ATOM 310 N ALA A 20 -9.004 0.510 -0.099 1.00 0.00 N ATOM 311 CA ALA A 20 -9.007 -0.612 -1.011 1.00 0.00 C ATOM 312 C ALA A 20 -8.265 -1.753 -0.336 1.00 0.00 C ATOM 313 O ALA A 20 -7.120 -1.594 0.085 1.00 0.00 O ATOM 314 CB ALA A 20 -8.290 -0.226 -2.309 1.00 0.00 C ATOM 0 H ALA A 20 -8.188 0.519 0.513 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.028 -0.907 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.295 -1.074 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.804 0.616 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.261 0.055 -2.086 1.00 0.00 H new ATOM 320 N ASP A 21 -8.896 -2.913 -0.281 1.00 0.00 N ATOM 321 CA ASP A 21 -8.284 -4.136 0.212 1.00 0.00 C ATOM 322 C ASP A 21 -7.744 -4.806 -1.046 1.00 0.00 C ATOM 323 O ASP A 21 -8.453 -4.850 -2.062 1.00 0.00 O ATOM 324 CB ASP A 21 -9.326 -5.044 0.880 1.00 0.00 C ATOM 325 CG ASP A 21 -10.116 -4.403 2.010 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.564 -3.610 2.797 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.323 -4.719 2.127 1.00 0.00 O ATOM 0 H ASP A 21 -9.863 -3.034 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.517 -3.941 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.026 -5.388 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.819 -5.927 1.268 1.00 0.00 H new ATOM 332 N VAL A 22 -6.498 -5.279 -1.029 1.00 0.00 N ATOM 333 CA VAL A 22 -5.848 -5.826 -2.218 1.00 0.00 C ATOM 334 C VAL A 22 -5.110 -7.132 -1.898 1.00 0.00 C ATOM 335 O VAL A 22 -4.537 -7.281 -0.821 1.00 0.00 O ATOM 336 CB VAL A 22 -4.933 -4.762 -2.876 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.686 -3.474 -3.252 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.741 -4.355 -2.003 1.00 0.00 C ATOM 0 H VAL A 22 -5.913 -5.294 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.615 -6.082 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.571 -5.261 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.993 -2.767 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.481 -3.711 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.118 -3.030 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.145 -3.608 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.104 -3.937 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.126 -5.231 -1.796 1.00 0.00 H new ATOM 348 N LEU A 23 -5.106 -8.079 -2.837 1.00 0.00 N ATOM 349 CA LEU A 23 -4.351 -9.333 -2.770 1.00 0.00 C ATOM 350 C LEU A 23 -3.243 -9.319 -3.797 1.00 0.00 C ATOM 351 O LEU A 23 -3.480 -8.976 -4.956 1.00 0.00 O ATOM 352 CB LEU A 23 -5.217 -10.595 -2.949 1.00 0.00 C ATOM 353 CG LEU A 23 -5.970 -11.119 -1.715 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.014 -11.975 -0.883 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.578 -10.059 -0.800 1.00 0.00 C ATOM 0 H LEU A 23 -5.648 -7.992 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.939 -9.388 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.950 -10.392 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.574 -11.395 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.814 -11.679 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.536 -12.353 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.660 -12.813 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.164 -11.370 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.083 -10.545 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.789 -9.411 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.297 -9.463 -1.362 1.00 0.00 H new ATOM 367 N CYS A 24 -2.053 -9.723 -3.358 1.00 0.00 N ATOM 368 CA CYS A 24 -0.849 -9.819 -4.154 1.00 0.00 C ATOM 369 C CYS A 24 -0.554 -11.311 -4.389 1.00 0.00 C ATOM 370 O CYS A 24 0.017 -11.943 -3.496 1.00 0.00 O ATOM 371 CB CYS A 24 0.284 -9.098 -3.401 1.00 0.00 C ATOM 372 SG CYS A 24 1.721 -8.547 -4.358 1.00 0.00 S ATOM 0 H CYS A 24 -1.904 -10.004 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.954 -9.341 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.144 -8.225 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.641 -9.764 -2.616 1.00 0.00 H new ATOM 377 N PRO A 25 -1.030 -11.920 -5.491 1.00 0.00 N ATOM 378 CA PRO A 25 -0.689 -13.288 -5.865 1.00 0.00 C ATOM 379 C PRO A 25 0.746 -13.322 -6.400 1.00 0.00 C ATOM 380 O PRO A 25 1.260 -12.312 -6.883 1.00 0.00 O ATOM 381 CB PRO A 25 -1.693 -13.681 -6.948 1.00 0.00 C ATOM 382 CG PRO A 25 -2.062 -12.349 -7.599 1.00 0.00 C ATOM 383 CD PRO A 25 -1.957 -11.351 -6.451 1.00 0.00 C ATOM 0 HA PRO A 25 -0.737 -13.979 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.255 -14.371 -7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.567 -14.175 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.382 -12.098 -8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.067 -12.373 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.600 -10.385 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.932 -11.181 -5.994 1.00 0.00 H new ATOM 391 N GLY A 26 1.370 -14.496 -6.432 1.00 0.00 N ATOM 392 CA GLY A 26 2.779 -14.597 -6.793 1.00 0.00 C ATOM 393 C GLY A 26 3.639 -14.158 -5.605 1.00 0.00 C ATOM 394 O GLY A 26 3.120 -13.887 -4.519 1.00 0.00 O ATOM 0 H GLY A 26 0.924 -15.387 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.022 -15.622 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.990 -13.971 -7.660 1.00 0.00 H new ATOM 398 N GLY A 27 4.957 -14.111 -5.790 1.00 0.00 N ATOM 399 CA GLY A 27 5.898 -13.844 -4.711 1.00 0.00 C ATOM 400 C GLY A 27 6.268 -12.387 -4.491 1.00 0.00 C ATOM 401 O GLY A 27 6.726 -12.074 -3.396 1.00 0.00 O ATOM 0 H GLY A 27 5.401 -14.258 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.477 -14.235 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.812 -14.404 -4.907 1.00 0.00 H new ATOM 405 N CYS A 28 6.037 -11.505 -5.470 1.00 0.00 N ATOM 406 CA CYS A 28 6.450 -10.100 -5.492 1.00 0.00 C ATOM 407 C CYS A 28 7.877 -9.924 -4.933 1.00 0.00 C ATOM 408 O CYS A 28 8.050 -9.421 -3.819 1.00 0.00 O ATOM 409 CB CYS A 28 5.412 -9.162 -4.868 1.00 0.00 C ATOM 410 SG CYS A 28 5.653 -7.461 -5.450 1.00 0.00 S ATOM 0 H CYS A 28 5.529 -11.768 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 28 6.496 -9.790 -6.536 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.408 -9.501 -5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.492 -9.195 -3.781 1.00 0.00 H new ATOM 415 N PRO A 29 8.898 -10.361 -5.693 1.00 0.00 N ATOM 416 CA PRO A 29 10.282 -10.372 -5.247 1.00 0.00 C ATOM 417 C PRO A 29 10.836 -8.969 -5.043 1.00 0.00 C ATOM 418 O PRO A 29 10.343 -8.002 -5.636 1.00 0.00 O ATOM 419 CB PRO A 29 11.064 -11.101 -6.346 1.00 0.00 C ATOM 420 CG PRO A 29 10.204 -10.955 -7.594 1.00 0.00 C ATOM 421 CD PRO A 29 8.787 -10.889 -7.043 1.00 0.00 C ATOM 0 HA PRO A 29 10.367 -10.866 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.050 -10.659 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.219 -12.150 -6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.459 -10.056 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.332 -11.799 -8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.159 -10.247 -7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.326 -11.877 -7.038 1.00 0.00 H new ATOM 429 N LEU A 30 11.928 -8.882 -4.277 1.00 0.00 N ATOM 430 CA LEU A 30 12.689 -7.655 -4.061 1.00 0.00 C ATOM 431 C LEU A 30 13.567 -7.449 -5.300 1.00 0.00 C ATOM 432 O LEU A 30 14.791 -7.522 -5.242 1.00 0.00 O ATOM 433 CB LEU A 30 13.539 -7.765 -2.774 1.00 0.00 C ATOM 434 CG LEU A 30 12.755 -8.035 -1.476 1.00 0.00 C ATOM 435 CD1 LEU A 30 13.715 -8.138 -0.286 1.00 0.00 C ATOM 436 CD2 LEU A 30 11.712 -6.956 -1.187 1.00 0.00 C ATOM 0 H LEU A 30 12.314 -9.684 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 30 12.027 -6.800 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.268 -8.564 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.101 -6.839 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 30 12.230 -8.979 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.147 -8.329 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.416 -8.955 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.266 -7.203 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.188 -7.195 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.206 -5.990 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.996 -6.913 -2.008 1.00 0.00 H new ATOM 448 N GLU A 31 12.917 -7.253 -6.443 1.00 0.00 N ATOM 449 CA GLU A 31 13.537 -7.069 -7.742 1.00 0.00 C ATOM 450 C GLU A 31 13.643 -5.572 -8.024 1.00 0.00 C ATOM 451 O GLU A 31 14.723 -5.052 -8.284 1.00 0.00 O ATOM 452 CB GLU A 31 12.708 -7.832 -8.785 1.00 0.00 C ATOM 453 CG GLU A 31 13.450 -7.961 -10.116 1.00 0.00 C ATOM 454 CD GLU A 31 12.607 -8.711 -11.145 1.00 0.00 C ATOM 455 OE1 GLU A 31 12.576 -9.964 -11.129 1.00 0.00 O ATOM 456 OE2 GLU A 31 12.013 -8.046 -12.026 1.00 0.00 O ATOM 0 H GLU A 31 11.899 -7.217 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 31 14.549 -7.471 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.469 -8.825 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.761 -7.316 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.696 -6.970 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.392 -8.486 -9.961 1.00 0.00 H new ATOM 463 N GLU A 32 12.515 -4.863 -7.923 1.00 0.00 N ATOM 464 CA GLU A 32 12.458 -3.419 -8.058 1.00 0.00 C ATOM 465 C GLU A 32 11.450 -2.893 -7.040 1.00 0.00 C ATOM 466 O GLU A 32 10.268 -2.732 -7.357 1.00 0.00 O ATOM 467 CB GLU A 32 11.993 -3.037 -9.473 1.00 0.00 C ATOM 468 CG GLU A 32 12.949 -3.366 -10.621 1.00 0.00 C ATOM 469 CD GLU A 32 12.265 -2.959 -11.923 1.00 0.00 C ATOM 470 OE1 GLU A 32 12.200 -1.735 -12.203 1.00 0.00 O ATOM 471 OE2 GLU A 32 11.667 -3.826 -12.595 1.00 0.00 O ATOM 0 H GLU A 32 11.606 -5.290 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 32 13.445 -2.990 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.044 -3.537 -9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.797 -1.965 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.891 -2.831 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.186 -4.430 -10.629 1.00 0.00 H new ATOM 478 N PHE A 33 11.885 -2.597 -5.815 1.00 0.00 N ATOM 479 CA PHE A 33 11.034 -1.964 -4.819 1.00 0.00 C ATOM 480 C PHE A 33 11.610 -0.573 -4.626 1.00 0.00 C ATOM 481 O PHE A 33 12.720 -0.427 -4.121 1.00 0.00 O ATOM 482 CB PHE A 33 10.990 -2.750 -3.499 1.00 0.00 C ATOM 483 CG PHE A 33 10.057 -3.952 -3.406 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.553 -4.629 -4.535 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.665 -4.384 -2.126 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.686 -5.723 -4.378 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.790 -5.471 -1.970 1.00 0.00 C ATOM 488 CZ PHE A 33 8.318 -6.157 -3.097 1.00 0.00 C ATOM 0 H PHE A 33 12.833 -2.790 -5.491 1.00 0.00 H new ATOM 0 HA PHE A 33 9.997 -1.931 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.001 -3.096 -3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.716 -2.054 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.835 -4.305 -5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.042 -3.873 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.301 -6.232 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.481 -5.778 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.674 -7.016 -2.979 1.00 0.00 H new ATOM 498 N SER A 34 10.846 0.439 -5.023 1.00 0.00 N ATOM 499 CA SER A 34 11.164 1.833 -4.813 1.00 0.00 C ATOM 500 C SER A 34 9.977 2.369 -4.031 1.00 0.00 C ATOM 501 O SER A 34 8.835 2.294 -4.495 1.00 0.00 O ATOM 502 CB SER A 34 11.390 2.529 -6.160 1.00 0.00 C ATOM 503 OG SER A 34 11.989 3.794 -5.964 1.00 0.00 O ATOM 0 H SER A 34 9.963 0.300 -5.514 1.00 0.00 H new ATOM 0 HA SER A 34 12.089 2.004 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.027 1.912 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.440 2.646 -6.681 1.00 0.00 H new ATOM 0 HG SER A 34 11.412 4.491 -6.341 1.00 0.00 H new ATOM 509 N VAL A 35 10.222 2.821 -2.807 1.00 0.00 N ATOM 510 CA VAL A 35 9.184 3.296 -1.910 1.00 0.00 C ATOM 511 C VAL A 35 9.446 4.787 -1.726 1.00 0.00 C ATOM 512 O VAL A 35 10.578 5.256 -1.886 1.00 0.00 O ATOM 513 CB VAL A 35 9.192 2.436 -0.628 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.075 2.821 0.344 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.989 0.954 -0.982 1.00 0.00 C ATOM 0 H VAL A 35 11.160 2.867 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 35 8.168 3.190 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 35 10.158 2.609 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.127 2.185 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.193 3.864 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.108 2.689 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.997 0.358 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.032 0.829 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.794 0.623 -1.638 1.00 0.00 H new ATOM 525 N TYR A 36 8.412 5.554 -1.402 1.00 0.00 N ATOM 526 CA TYR A 36 8.511 6.996 -1.335 1.00 0.00 C ATOM 527 C TYR A 36 7.823 7.479 -0.063 1.00 0.00 C ATOM 528 O TYR A 36 6.597 7.545 -0.024 1.00 0.00 O ATOM 529 CB TYR A 36 7.928 7.584 -2.621 1.00 0.00 C ATOM 530 CG TYR A 36 8.656 7.236 -3.908 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.459 5.991 -4.539 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.540 8.171 -4.479 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.200 5.649 -5.683 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.276 7.843 -5.627 1.00 0.00 C ATOM 535 CZ TYR A 36 10.140 6.564 -6.209 1.00 0.00 C ATOM 536 OH TYR A 36 10.950 6.204 -7.243 1.00 0.00 O ATOM 0 H TYR A 36 7.486 5.189 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 36 9.545 7.335 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.894 7.251 -2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.906 8.669 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.734 5.296 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.652 9.147 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.052 4.691 -6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.946 8.568 -6.065 1.00 0.00 H new ATOM 0 HH TYR A 36 11.534 6.955 -7.478 1.00 0.00 H new ATOM 546 N GLY A 37 8.619 7.793 0.962 1.00 0.00 N ATOM 547 CA GLY A 37 8.196 8.153 2.310 1.00 0.00 C ATOM 548 C GLY A 37 7.865 6.897 3.122 1.00 0.00 C ATOM 549 O GLY A 37 7.499 5.869 2.553 1.00 0.00 O ATOM 0 H GLY A 37 9.634 7.802 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.986 8.717 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.322 8.803 2.262 1.00 0.00 H new ATOM 553 N ASN A 38 8.050 6.941 4.447 1.00 0.00 N ATOM 554 CA ASN A 38 7.648 5.854 5.344 1.00 0.00 C ATOM 555 C ASN A 38 6.275 6.218 5.910 1.00 0.00 C ATOM 556 O ASN A 38 6.049 7.396 6.202 1.00 0.00 O ATOM 557 CB ASN A 38 8.674 5.636 6.464 1.00 0.00 C ATOM 558 CG ASN A 38 8.524 6.607 7.628 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.892 7.772 7.549 1.00 0.00 O ATOM 560 ND2 ASN A 38 7.970 6.132 8.729 1.00 0.00 N ATOM 0 H ASN A 38 8.482 7.731 4.926 1.00 0.00 H new ATOM 0 HA ASN A 38 7.597 4.913 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.580 4.617 6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.677 5.732 6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.841 6.740 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.672 5.158 8.770 1.00 0.00 H new ATOM 567 N ILE A 39 5.399 5.236 6.162 1.00 0.00 N ATOM 568 CA ILE A 39 3.994 5.393 6.575 1.00 0.00 C ATOM 569 C ILE A 39 3.222 6.116 5.474 1.00 0.00 C ATOM 570 O ILE A 39 2.321 5.520 4.893 1.00 0.00 O ATOM 571 CB ILE A 39 3.795 6.009 7.985 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.435 5.164 9.104 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.301 6.234 8.299 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.854 3.755 9.225 1.00 0.00 C ATOM 0 H ILE A 39 5.665 4.255 6.079 1.00 0.00 H new ATOM 0 HA ILE A 39 3.575 4.394 6.696 1.00 0.00 H new ATOM 0 HB ILE A 39 4.306 6.971 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.507 5.090 8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.308 5.682 10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.200 6.666 9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.873 6.914 7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.774 5.281 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.355 3.223 10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.787 3.819 9.439 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.005 3.218 8.289 1.00 0.00 H new ATOM 586 N VAL A 40 3.529 7.387 5.226 1.00 0.00 N ATOM 587 CA VAL A 40 2.994 8.164 4.134 1.00 0.00 C ATOM 588 C VAL A 40 3.783 7.666 2.930 1.00 0.00 C ATOM 589 O VAL A 40 4.875 8.157 2.645 1.00 0.00 O ATOM 590 CB VAL A 40 3.214 9.666 4.400 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.839 10.550 3.199 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.364 10.113 5.589 1.00 0.00 C ATOM 0 H VAL A 40 4.181 7.914 5.806 1.00 0.00 H new ATOM 0 HA VAL A 40 1.920 8.050 3.989 1.00 0.00 H new ATOM 0 HB VAL A 40 4.279 9.787 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.016 11.596 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.449 10.273 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.786 10.408 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.524 11.176 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.311 9.937 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.650 9.545 6.475 1.00 0.00 H new ATOM 602 N TYR A 41 3.217 6.687 2.244 1.00 0.00 N ATOM 603 CA TYR A 41 3.726 6.161 1.005 1.00 0.00 C ATOM 604 C TYR A 41 3.093 7.037 -0.064 1.00 0.00 C ATOM 605 O TYR A 41 1.866 7.080 -0.186 1.00 0.00 O ATOM 606 CB TYR A 41 3.346 4.678 0.888 1.00 0.00 C ATOM 607 CG TYR A 41 3.975 3.836 1.987 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.374 3.753 2.066 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.190 3.218 2.978 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.000 3.090 3.133 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.807 2.548 4.054 1.00 0.00 C ATOM 612 CZ TYR A 41 5.218 2.495 4.142 1.00 0.00 C ATOM 613 OH TYR A 41 5.816 1.945 5.234 1.00 0.00 O ATOM 0 H TYR A 41 2.361 6.226 2.552 1.00 0.00 H new ATOM 0 HA TYR A 41 4.812 6.187 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.261 4.578 0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.662 4.299 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.978 4.206 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.113 3.257 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.078 3.036 3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.201 2.074 4.813 1.00 0.00 H new ATOM 0 HH TYR A 41 6.770 1.814 5.053 1.00 0.00 H new ATOM 623 N ALA A 42 3.887 7.821 -0.789 1.00 0.00 N ATOM 624 CA ALA A 42 3.347 8.577 -1.907 1.00 0.00 C ATOM 625 C ALA A 42 2.841 7.583 -2.951 1.00 0.00 C ATOM 626 O ALA A 42 3.379 6.478 -3.078 1.00 0.00 O ATOM 627 CB ALA A 42 4.395 9.511 -2.493 1.00 0.00 C ATOM 0 H ALA A 42 4.886 7.946 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 42 2.523 9.206 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.964 10.064 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.727 10.211 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.246 8.928 -2.845 1.00 0.00 H new ATOM 633 N SER A 43 1.853 8.016 -3.731 1.00 0.00 N ATOM 634 CA SER A 43 1.111 7.231 -4.711 1.00 0.00 C ATOM 635 C SER A 43 2.010 6.412 -5.655 1.00 0.00 C ATOM 636 O SER A 43 1.642 5.305 -6.039 1.00 0.00 O ATOM 637 CB SER A 43 0.210 8.227 -5.454 1.00 0.00 C ATOM 638 OG SER A 43 -0.888 7.637 -6.105 1.00 0.00 O ATOM 0 H SER A 43 1.531 8.983 -3.692 1.00 0.00 H new ATOM 0 HA SER A 43 0.519 6.464 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.158 8.967 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.809 8.763 -6.190 1.00 0.00 H new ATOM 0 HG SER A 43 -1.415 8.332 -6.553 1.00 0.00 H new ATOM 644 N VAL A 44 3.205 6.903 -5.993 1.00 0.00 N ATOM 645 CA VAL A 44 4.156 6.238 -6.884 1.00 0.00 C ATOM 646 C VAL A 44 4.672 4.900 -6.321 1.00 0.00 C ATOM 647 O VAL A 44 5.087 4.039 -7.095 1.00 0.00 O ATOM 648 CB VAL A 44 5.275 7.250 -7.231 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.870 7.948 -5.993 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.392 6.663 -8.098 1.00 0.00 C ATOM 0 H VAL A 44 3.546 7.799 -5.644 1.00 0.00 H new ATOM 0 HA VAL A 44 3.655 5.943 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 44 4.766 8.006 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.648 8.644 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.084 8.494 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.299 7.201 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.138 7.431 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.861 5.830 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.973 6.309 -9.040 1.00 0.00 H new ATOM 660 N SER A 45 4.621 4.693 -5.004 1.00 0.00 N ATOM 661 CA SER A 45 5.145 3.492 -4.371 1.00 0.00 C ATOM 662 C SER A 45 4.356 2.244 -4.786 1.00 0.00 C ATOM 663 O SER A 45 3.119 2.266 -4.832 1.00 0.00 O ATOM 664 CB SER A 45 5.076 3.637 -2.843 1.00 0.00 C ATOM 665 OG SER A 45 5.587 4.881 -2.392 1.00 0.00 O ATOM 0 H SER A 45 4.213 5.359 -4.348 1.00 0.00 H new ATOM 0 HA SER A 45 6.179 3.373 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.041 3.534 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.638 2.827 -2.379 1.00 0.00 H new ATOM 0 HG SER A 45 4.908 5.577 -2.514 1.00 0.00 H new ATOM 671 N SER A 46 5.072 1.151 -5.061 1.00 0.00 N ATOM 672 CA SER A 46 4.487 -0.154 -5.331 1.00 0.00 C ATOM 673 C SER A 46 3.667 -0.540 -4.100 1.00 0.00 C ATOM 674 O SER A 46 4.074 -0.257 -2.967 1.00 0.00 O ATOM 675 CB SER A 46 5.607 -1.172 -5.611 1.00 0.00 C ATOM 676 OG SER A 46 5.121 -2.505 -5.633 1.00 0.00 O ATOM 0 H SER A 46 6.091 1.154 -5.102 1.00 0.00 H new ATOM 0 HA SER A 46 3.843 -0.135 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.076 -0.941 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.379 -1.080 -4.847 1.00 0.00 H new ATOM 0 HG SER A 46 5.862 -3.120 -5.815 1.00 0.00 H new ATOM 682 N ILE A 47 2.550 -1.242 -4.307 1.00 0.00 N ATOM 683 CA ILE A 47 1.760 -1.760 -3.200 1.00 0.00 C ATOM 684 C ILE A 47 2.621 -2.778 -2.439 1.00 0.00 C ATOM 685 O ILE A 47 2.630 -2.731 -1.210 1.00 0.00 O ATOM 686 CB ILE A 47 0.422 -2.330 -3.737 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.502 -1.150 -4.134 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.297 -3.244 -2.728 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.769 -1.563 -4.896 1.00 0.00 C ATOM 0 H ILE A 47 2.177 -1.462 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 47 1.481 -0.979 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 47 0.654 -2.951 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.795 -0.614 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.065 -0.452 -4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.226 -3.609 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.345 -4.090 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.520 -2.681 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.356 -0.676 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.489 -2.071 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.363 -2.236 -4.277 1.00 0.00 H new ATOM 701 N CYS A 48 3.392 -3.636 -3.126 1.00 0.00 N ATOM 702 CA CYS A 48 4.311 -4.547 -2.448 1.00 0.00 C ATOM 703 C CYS A 48 5.378 -3.765 -1.696 1.00 0.00 C ATOM 704 O CYS A 48 5.663 -4.080 -0.545 1.00 0.00 O ATOM 705 CB CYS A 48 5.063 -5.456 -3.415 1.00 0.00 C ATOM 706 SG CYS A 48 4.142 -6.365 -4.642 1.00 0.00 S ATOM 0 H CYS A 48 3.394 -3.713 -4.143 1.00 0.00 H new ATOM 0 HA CYS A 48 3.688 -5.144 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.795 -4.843 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.621 -6.179 -2.820 1.00 0.00 H new ATOM 711 N GLY A 49 5.971 -2.766 -2.359 1.00 0.00 N ATOM 712 CA GLY A 49 7.042 -1.955 -1.807 1.00 0.00 C ATOM 713 C GLY A 49 6.615 -1.380 -0.467 1.00 0.00 C ATOM 714 O GLY A 49 7.239 -1.660 0.554 1.00 0.00 O ATOM 0 H GLY A 49 5.710 -2.501 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.941 -2.559 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.292 -1.148 -2.496 1.00 0.00 H new ATOM 718 N ALA A 50 5.521 -0.618 -0.474 1.00 0.00 N ATOM 719 CA ALA A 50 4.932 -0.045 0.721 1.00 0.00 C ATOM 720 C ALA A 50 4.624 -1.129 1.758 1.00 0.00 C ATOM 721 O ALA A 50 4.900 -0.934 2.938 1.00 0.00 O ATOM 722 CB ALA A 50 3.663 0.719 0.330 1.00 0.00 C ATOM 0 H ALA A 50 5.016 -0.382 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 50 5.642 0.643 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.211 1.154 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.918 1.513 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.956 0.034 -0.138 1.00 0.00 H new ATOM 728 N ALA A 51 4.032 -2.253 1.343 1.00 0.00 N ATOM 729 CA ALA A 51 3.584 -3.301 2.247 1.00 0.00 C ATOM 730 C ALA A 51 4.755 -3.952 2.980 1.00 0.00 C ATOM 731 O ALA A 51 4.745 -4.004 4.210 1.00 0.00 O ATOM 732 CB ALA A 51 2.736 -4.318 1.478 1.00 0.00 C ATOM 0 H ALA A 51 3.852 -2.457 0.360 1.00 0.00 H new ATOM 0 HA ALA A 51 2.958 -2.856 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.402 -5.102 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.869 -3.817 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.333 -4.760 0.680 1.00 0.00 H new ATOM 738 N VAL A 52 5.745 -4.474 2.262 1.00 0.00 N ATOM 739 CA VAL A 52 6.885 -5.137 2.882 1.00 0.00 C ATOM 740 C VAL A 52 7.712 -4.117 3.685 1.00 0.00 C ATOM 741 O VAL A 52 8.172 -4.447 4.779 1.00 0.00 O ATOM 742 CB VAL A 52 7.681 -5.948 1.836 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.767 -6.809 2.496 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.797 -6.926 1.033 1.00 0.00 C ATOM 0 H VAL A 52 5.779 -4.449 1.243 1.00 0.00 H new ATOM 0 HA VAL A 52 6.547 -5.877 3.608 1.00 0.00 H new ATOM 0 HB VAL A 52 8.109 -5.194 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.306 -7.365 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.463 -6.166 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.304 -7.508 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.413 -7.467 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.327 -7.635 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.026 -6.368 0.502 1.00 0.00 H new ATOM 754 N HIS A 53 7.828 -2.864 3.223 1.00 0.00 N ATOM 755 CA HIS A 53 8.480 -1.783 3.969 1.00 0.00 C ATOM 756 C HIS A 53 7.771 -1.582 5.312 1.00 0.00 C ATOM 757 O HIS A 53 8.388 -1.630 6.375 1.00 0.00 O ATOM 758 CB HIS A 53 8.472 -0.502 3.120 1.00 0.00 C ATOM 759 CG HIS A 53 9.191 0.662 3.746 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.685 1.517 4.730 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.472 1.018 3.450 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.704 2.347 5.021 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.785 2.074 4.269 1.00 0.00 N ATOM 0 H HIS A 53 7.469 -2.572 2.314 1.00 0.00 H new ATOM 0 HA HIS A 53 9.518 -2.042 4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.928 -0.718 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.438 -0.214 2.928 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.116 0.559 2.714 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.659 3.131 5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.679 2.565 4.302 1.00 0.00 H new ATOM 771 N ARG A 54 6.446 -1.432 5.290 1.00 0.00 N ATOM 772 CA ARG A 54 5.598 -1.330 6.476 1.00 0.00 C ATOM 773 C ARG A 54 5.660 -2.579 7.359 1.00 0.00 C ATOM 774 O ARG A 54 5.328 -2.487 8.540 1.00 0.00 O ATOM 775 CB ARG A 54 4.168 -1.026 6.008 1.00 0.00 C ATOM 776 CG ARG A 54 3.125 -0.840 7.116 1.00 0.00 C ATOM 777 CD ARG A 54 3.473 0.297 8.083 1.00 0.00 C ATOM 778 NE ARG A 54 2.273 0.726 8.818 1.00 0.00 N ATOM 779 CZ ARG A 54 1.351 1.596 8.399 1.00 0.00 C ATOM 780 NH1 ARG A 54 1.595 2.362 7.339 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.206 1.698 9.060 1.00 0.00 N ATOM 0 H ARG A 54 5.918 -1.377 4.419 1.00 0.00 H new ATOM 0 HA ARG A 54 5.963 -0.522 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.190 -0.121 5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.839 -1.837 5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.154 -0.640 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.029 -1.770 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.239 -0.034 8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.890 1.139 7.530 1.00 0.00 H new ATOM 0 HE ARG A 54 2.131 0.317 9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.485 2.284 6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.892 3.027 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.037 1.115 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.505 2.359 8.749 1.00 0.00 H new ATOM 795 N GLY A 55 6.018 -3.743 6.820 1.00 0.00 N ATOM 796 CA GLY A 55 6.003 -4.996 7.561 1.00 0.00 C ATOM 797 C GLY A 55 4.631 -5.666 7.539 1.00 0.00 C ATOM 798 O GLY A 55 4.331 -6.460 8.429 1.00 0.00 O ATOM 0 H GLY A 55 6.327 -3.840 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.743 -5.675 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.297 -4.808 8.594 1.00 0.00 H new ATOM 802 N VAL A 56 3.781 -5.337 6.563 1.00 0.00 N ATOM 803 CA VAL A 56 2.488 -5.974 6.321 1.00 0.00 C ATOM 804 C VAL A 56 2.752 -7.444 5.989 1.00 0.00 C ATOM 805 O VAL A 56 2.423 -8.329 6.779 1.00 0.00 O ATOM 806 CB VAL A 56 1.766 -5.190 5.200 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.514 -5.825 4.594 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.354 -3.809 5.724 1.00 0.00 C ATOM 0 H VAL A 56 3.984 -4.592 5.896 1.00 0.00 H new ATOM 0 HA VAL A 56 1.828 -5.954 7.188 1.00 0.00 H new ATOM 0 HB VAL A 56 2.507 -5.164 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.111 -5.170 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.771 -6.788 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.234 -5.970 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.845 -3.257 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.682 -3.928 6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.241 -3.259 6.037 1.00 0.00 H new ATOM 818 N ILE A 57 3.412 -7.709 4.866 1.00 0.00 N ATOM 819 CA ILE A 57 3.803 -9.038 4.408 1.00 0.00 C ATOM 820 C ILE A 57 5.322 -9.072 4.260 1.00 0.00 C ATOM 821 O ILE A 57 5.976 -8.027 4.301 1.00 0.00 O ATOM 822 CB ILE A 57 3.099 -9.382 3.069 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.169 -8.216 2.052 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.641 -9.800 3.324 1.00 0.00 C ATOM 825 CD1 ILE A 57 3.016 -8.659 0.593 1.00 0.00 C ATOM 0 H ILE A 57 3.701 -6.972 4.223 1.00 0.00 H new ATOM 0 HA ILE A 57 3.495 -9.789 5.136 1.00 0.00 H new ATOM 0 HB ILE A 57 3.635 -10.221 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.387 -7.494 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.123 -7.702 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.160 -10.038 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.622 -10.677 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.107 -8.981 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.076 -7.788 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.813 -9.358 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.050 -9.147 0.460 1.00 0.00 H new ATOM 837 N SER A 58 5.888 -10.267 4.148 1.00 0.00 N ATOM 838 CA SER A 58 7.299 -10.504 3.859 1.00 0.00 C ATOM 839 C SER A 58 7.363 -10.982 2.397 1.00 0.00 C ATOM 840 O SER A 58 6.319 -11.059 1.743 1.00 0.00 O ATOM 841 CB SER A 58 7.932 -11.442 4.897 1.00 0.00 C ATOM 842 OG SER A 58 7.579 -11.046 6.213 1.00 0.00 O ATOM 0 H SER A 58 5.358 -11.131 4.260 1.00 0.00 H new ATOM 0 HA SER A 58 7.907 -9.604 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.601 -12.465 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.017 -11.434 4.788 1.00 0.00 H new ATOM 0 HG SER A 58 7.990 -11.657 6.860 1.00 0.00 H new ATOM 848 N ASN A 59 8.559 -11.208 1.843 1.00 0.00 N ATOM 849 CA ASN A 59 8.781 -11.567 0.435 1.00 0.00 C ATOM 850 C ASN A 59 8.194 -12.951 0.102 1.00 0.00 C ATOM 851 O ASN A 59 8.902 -13.963 0.092 1.00 0.00 O ATOM 852 CB ASN A 59 10.292 -11.507 0.158 1.00 0.00 C ATOM 853 CG ASN A 59 10.671 -11.778 -1.295 1.00 0.00 C ATOM 854 OD1 ASN A 59 9.846 -12.054 -2.160 1.00 0.00 O ATOM 855 ND2 ASN A 59 11.957 -11.679 -1.585 1.00 0.00 N ATOM 0 H ASN A 59 9.426 -11.145 2.376 1.00 0.00 H new ATOM 0 HA ASN A 59 8.262 -10.859 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.663 -10.522 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.796 -12.233 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.278 -11.833 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.629 -11.449 -0.853 1.00 0.00 H new ATOM 862 N SER A 60 6.872 -13.031 0.012 1.00 0.00 N ATOM 863 CA SER A 60 6.050 -14.161 -0.403 1.00 0.00 C ATOM 864 C SER A 60 4.771 -13.710 -1.129 1.00 0.00 C ATOM 865 O SER A 60 4.090 -14.549 -1.725 1.00 0.00 O ATOM 866 CB SER A 60 5.716 -14.981 0.849 1.00 0.00 C ATOM 867 OG SER A 60 5.047 -16.197 0.585 1.00 0.00 O ATOM 0 H SER A 60 6.292 -12.227 0.251 1.00 0.00 H new ATOM 0 HA SER A 60 6.603 -14.769 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.640 -15.197 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.097 -14.376 1.511 1.00 0.00 H new ATOM 0 HG SER A 60 4.475 -16.091 -0.203 1.00 0.00 H new ATOM 873 N GLY A 61 4.405 -12.424 -1.059 1.00 0.00 N ATOM 874 CA GLY A 61 3.136 -11.926 -1.580 1.00 0.00 C ATOM 875 C GLY A 61 2.112 -12.091 -0.446 1.00 0.00 C ATOM 876 O GLY A 61 2.491 -12.461 0.672 1.00 0.00 O ATOM 0 H GLY A 61 4.987 -11.700 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.221 -10.881 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.831 -12.486 -2.464 1.00 0.00 H new ATOM 880 N GLY A 62 0.825 -11.823 -0.675 1.00 0.00 N ATOM 881 CA GLY A 62 -0.193 -11.960 0.370 1.00 0.00 C ATOM 882 C GLY A 62 -1.235 -10.838 0.359 1.00 0.00 C ATOM 883 O GLY A 62 -1.268 -10.040 -0.585 1.00 0.00 O ATOM 0 H GLY A 62 0.462 -11.510 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.700 -12.917 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.297 -11.980 1.343 1.00 0.00 H new ATOM 887 N PRO A 63 -2.135 -10.806 1.359 1.00 0.00 N ATOM 888 CA PRO A 63 -3.139 -9.759 1.515 1.00 0.00 C ATOM 889 C PRO A 63 -2.506 -8.455 2.006 1.00 0.00 C ATOM 890 O PRO A 63 -1.531 -8.460 2.759 1.00 0.00 O ATOM 891 CB PRO A 63 -4.129 -10.308 2.545 1.00 0.00 C ATOM 892 CG PRO A 63 -3.243 -11.172 3.442 1.00 0.00 C ATOM 893 CD PRO A 63 -2.216 -11.749 2.469 1.00 0.00 C ATOM 0 HA PRO A 63 -3.624 -9.520 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.614 -9.509 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.920 -10.892 2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.768 -10.583 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.815 -11.957 3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.246 -11.867 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.521 -12.736 2.120 1.00 0.00 H new ATOM 901 N VAL A 64 -3.091 -7.329 1.602 1.00 0.00 N ATOM 902 CA VAL A 64 -2.666 -5.979 1.929 1.00 0.00 C ATOM 903 C VAL A 64 -3.940 -5.107 1.980 1.00 0.00 C ATOM 904 O VAL A 64 -4.976 -5.432 1.399 1.00 0.00 O ATOM 905 CB VAL A 64 -1.644 -5.514 0.857 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.084 -4.124 1.113 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.442 -6.453 0.632 1.00 0.00 C ATOM 0 H VAL A 64 -3.919 -7.340 1.006 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.164 -5.908 2.894 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.261 -5.521 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.377 -3.866 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.898 -3.400 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.574 -4.109 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.208 -6.034 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.116 -6.559 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.800 -7.431 0.310 1.00 0.00 H new ATOM 917 N ARG A 65 -3.879 -3.970 2.668 1.00 0.00 N ATOM 918 CA ARG A 65 -4.981 -3.041 2.913 1.00 0.00 C ATOM 919 C ARG A 65 -4.487 -1.617 2.715 1.00 0.00 C ATOM 920 O ARG A 65 -3.714 -1.122 3.533 1.00 0.00 O ATOM 921 CB ARG A 65 -5.548 -3.313 4.315 1.00 0.00 C ATOM 922 CG ARG A 65 -6.690 -2.367 4.702 1.00 0.00 C ATOM 923 CD ARG A 65 -7.490 -2.933 5.885 1.00 0.00 C ATOM 924 NE ARG A 65 -8.763 -3.445 5.382 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.676 -4.222 5.955 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.564 -4.646 7.208 1.00 0.00 N ATOM 927 NH2 ARG A 65 -10.715 -4.569 5.212 1.00 0.00 N ATOM 0 H ARG A 65 -3.009 -3.653 3.095 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.798 -3.184 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.906 -4.341 4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.746 -3.222 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.285 -1.390 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.351 -2.219 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.929 -3.729 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.662 -2.158 6.631 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.989 -3.157 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.755 -4.376 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.287 -5.242 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.785 -4.241 4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.445 -5.164 5.603 1.00 0.00 H new ATOM 941 N VAL A 66 -4.858 -0.983 1.609 1.00 0.00 N ATOM 942 CA VAL A 66 -4.401 0.348 1.224 1.00 0.00 C ATOM 943 C VAL A 66 -5.445 1.369 1.685 1.00 0.00 C ATOM 944 O VAL A 66 -6.611 1.269 1.303 1.00 0.00 O ATOM 945 CB VAL A 66 -4.206 0.422 -0.309 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.340 1.632 -0.682 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.555 -0.832 -0.924 1.00 0.00 C ATOM 0 H VAL A 66 -5.504 -1.393 0.935 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.442 0.566 1.694 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.213 0.507 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.213 1.669 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.827 2.546 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.364 1.542 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.454 -0.699 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.570 -0.984 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.180 -1.702 -0.723 1.00 0.00 H new ATOM 957 N TYR A 67 -5.040 2.368 2.472 1.00 0.00 N ATOM 958 CA TYR A 67 -5.874 3.489 2.898 1.00 0.00 C ATOM 959 C TYR A 67 -5.190 4.773 2.426 1.00 0.00 C ATOM 960 O TYR A 67 -4.049 5.044 2.794 1.00 0.00 O ATOM 961 CB TYR A 67 -6.056 3.501 4.427 1.00 0.00 C ATOM 962 CG TYR A 67 -6.917 2.426 5.085 1.00 0.00 C ATOM 963 CD1 TYR A 67 -7.802 1.596 4.367 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.855 2.293 6.483 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.615 0.656 5.028 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.662 1.361 7.156 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.548 0.536 6.432 1.00 0.00 C ATOM 968 OH TYR A 67 -9.342 -0.348 7.096 1.00 0.00 O ATOM 0 H TYR A 67 -4.091 2.419 2.841 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.870 3.401 2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.064 3.446 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.476 4.469 4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.857 1.683 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.177 2.916 7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.288 0.029 4.462 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.604 1.276 8.231 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.159 -0.294 8.057 1.00 0.00 H new ATOM 978 N SER A 68 -5.862 5.553 1.581 1.00 0.00 N ATOM 979 CA SER A 68 -5.361 6.829 1.082 1.00 0.00 C ATOM 980 C SER A 68 -5.073 7.791 2.240 1.00 0.00 C ATOM 981 O SER A 68 -5.681 7.708 3.313 1.00 0.00 O ATOM 982 CB SER A 68 -6.377 7.440 0.118 1.00 0.00 C ATOM 983 OG SER A 68 -7.582 7.687 0.816 1.00 0.00 O ATOM 0 H SER A 68 -6.784 5.311 1.219 1.00 0.00 H new ATOM 0 HA SER A 68 -4.426 6.655 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.988 8.368 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.558 6.764 -0.717 1.00 0.00 H new ATOM 0 HG SER A 68 -7.964 6.837 1.120 1.00 0.00 H new ATOM 989 N LEU A 69 -4.150 8.717 2.018 1.00 0.00 N ATOM 990 CA LEU A 69 -3.693 9.727 2.960 1.00 0.00 C ATOM 991 C LEU A 69 -3.600 11.037 2.162 1.00 0.00 C ATOM 992 O LEU A 69 -3.283 10.961 0.973 1.00 0.00 O ATOM 993 CB LEU A 69 -2.368 9.187 3.525 1.00 0.00 C ATOM 994 CG LEU A 69 -1.809 9.861 4.783 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.945 8.824 5.512 1.00 0.00 C ATOM 996 CD2 LEU A 69 -0.988 11.120 4.460 1.00 0.00 C ATOM 0 H LEU A 69 -3.672 8.786 1.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.341 9.933 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.502 8.127 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.614 9.259 2.741 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.635 10.196 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.528 9.268 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.558 7.963 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.134 8.502 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.615 11.559 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.147 10.852 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.619 11.844 3.944 1.00 0.00 H new ATOM 1008 N PRO A 70 -3.884 12.222 2.730 1.00 0.00 N ATOM 1009 CA PRO A 70 -3.928 13.474 1.969 1.00 0.00 C ATOM 1010 C PRO A 70 -2.610 13.848 1.266 1.00 0.00 C ATOM 1011 O PRO A 70 -1.567 13.201 1.428 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.389 14.551 2.965 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.126 13.939 4.337 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.340 12.451 4.092 1.00 0.00 C ATOM 0 HA PRO A 70 -4.618 13.369 1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.834 15.479 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.444 14.789 2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.115 14.150 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.811 14.327 5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.775 11.849 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.389 12.179 4.207 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.680 14.881 0.421 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.521 15.467 -0.231 1.00 0.00 C ATOM 1024 C GLY A 71 -0.538 15.892 0.850 1.00 0.00 C ATOM 1025 O GLY A 71 -0.936 16.562 1.807 1.00 0.00 O ATOM 0 H GLY A 71 -3.559 15.335 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.058 14.746 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.817 16.324 -0.836 1.00 0.00 H new ATOM 1029 N ARG A 72 0.728 15.502 0.737 1.00 0.00 N ATOM 1030 CA ARG A 72 1.724 15.756 1.771 1.00 0.00 C ATOM 1031 C ARG A 72 3.027 16.189 1.125 1.00 0.00 C ATOM 1032 O ARG A 72 3.186 16.161 -0.094 1.00 0.00 O ATOM 1033 CB ARG A 72 1.830 14.559 2.739 1.00 0.00 C ATOM 1034 CG ARG A 72 0.701 14.604 3.782 1.00 0.00 C ATOM 1035 CD ARG A 72 1.035 13.793 5.035 1.00 0.00 C ATOM 1036 NE ARG A 72 1.778 14.557 6.051 1.00 0.00 N ATOM 1037 CZ ARG A 72 3.057 14.445 6.421 1.00 0.00 C ATOM 1038 NH1 ARG A 72 3.962 13.845 5.652 1.00 0.00 N ATOM 1039 NH2 ARG A 72 3.421 14.935 7.597 1.00 0.00 N ATOM 0 H ARG A 72 1.092 15.001 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 72 1.418 16.587 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.778 13.626 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.797 14.575 3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.510 15.640 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.217 14.220 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.109 13.423 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.622 12.921 4.747 1.00 0.00 H new ATOM 0 HE ARG A 72 1.241 15.272 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.687 13.454 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.931 13.776 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.731 15.386 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.392 14.862 7.902 1.00 0.00 H new ATOM 1053 N GLU A 73 3.919 16.714 1.947 1.00 0.00 N ATOM 1054 CA GLU A 73 5.181 17.318 1.580 1.00 0.00 C ATOM 1055 C GLU A 73 6.168 17.095 2.722 1.00 0.00 C ATOM 1056 O GLU A 73 5.817 16.475 3.730 1.00 0.00 O ATOM 1057 CB GLU A 73 4.955 18.809 1.270 1.00 0.00 C ATOM 1058 CG GLU A 73 4.484 19.666 2.455 1.00 0.00 C ATOM 1059 CD GLU A 73 3.065 19.314 2.908 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.095 19.758 2.249 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.915 18.625 3.943 1.00 0.00 O ATOM 0 H GLU A 73 3.767 16.729 2.956 1.00 0.00 H new ATOM 0 HA GLU A 73 5.599 16.864 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.886 19.228 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.218 18.889 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.172 19.534 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.522 20.719 2.175 1.00 0.00 H new ATOM 1068 N ASN A 74 7.387 17.622 2.570 1.00 0.00 N ATOM 1069 CA ASN A 74 8.468 17.547 3.553 1.00 0.00 C ATOM 1070 C ASN A 74 8.667 16.096 3.991 1.00 0.00 C ATOM 1071 O ASN A 74 8.688 15.778 5.180 1.00 0.00 O ATOM 1072 CB ASN A 74 8.224 18.508 4.734 1.00 0.00 C ATOM 1073 CG ASN A 74 8.081 19.972 4.331 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.516 20.386 3.257 1.00 0.00 O ATOM 1075 ND2 ASN A 74 7.453 20.777 5.171 1.00 0.00 N ATOM 0 H ASN A 74 7.656 18.131 1.728 1.00 0.00 H new ATOM 0 HA ASN A 74 9.398 17.880 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.321 18.198 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.050 18.416 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.322 21.760 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.100 20.415 6.057 1.00 0.00 H new ATOM 1082 N TYR A 75 8.762 15.197 3.010 1.00 0.00 N ATOM 1083 CA TYR A 75 8.951 13.774 3.246 1.00 0.00 C ATOM 1084 C TYR A 75 10.395 13.536 3.701 1.00 0.00 C ATOM 1085 O TYR A 75 11.207 14.459 3.795 1.00 0.00 O ATOM 1086 CB TYR A 75 8.661 12.992 1.959 1.00 0.00 C ATOM 1087 CG TYR A 75 7.245 13.064 1.426 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.851 14.147 0.618 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.367 11.981 1.619 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.578 14.155 0.025 1.00 0.00 C ATOM 1091 CE2 TYR A 75 5.104 11.980 1.004 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.686 13.081 0.231 1.00 0.00 C ATOM 1093 OH TYR A 75 3.460 13.101 -0.356 1.00 0.00 O ATOM 0 H TYR A 75 8.709 15.444 2.022 1.00 0.00 H new ATOM 0 HA TYR A 75 8.266 13.430 4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.336 13.352 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.906 11.944 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.528 14.972 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.665 11.150 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.280 14.989 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.449 11.130 1.125 1.00 0.00 H new ATOM 0 HH TYR A 75 3.140 14.026 -0.415 1.00 0.00 H new ATOM 1103 N SER A 76 10.737 12.286 3.983 1.00 0.00 N ATOM 1104 CA SER A 76 12.041 11.881 4.472 1.00 0.00 C ATOM 1105 C SER A 76 12.378 10.537 3.826 1.00 0.00 C ATOM 1106 O SER A 76 11.509 9.933 3.189 1.00 0.00 O ATOM 1107 CB SER A 76 11.991 11.819 6.007 1.00 0.00 C ATOM 1108 OG SER A 76 11.396 13.000 6.538 1.00 0.00 O ATOM 0 H SER A 76 10.092 11.504 3.873 1.00 0.00 H new ATOM 0 HA SER A 76 12.827 12.589 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.421 10.945 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.999 11.703 6.405 1.00 0.00 H new ATOM 0 HG SER A 76 11.371 12.942 7.516 1.00 0.00 H new ATOM 1114 N SER A 77 13.618 10.083 3.987 1.00 0.00 N ATOM 1115 CA SER A 77 14.082 8.812 3.460 1.00 0.00 C ATOM 1116 C SER A 77 14.406 7.916 4.654 1.00 0.00 C ATOM 1117 O SER A 77 15.039 8.382 5.604 1.00 0.00 O ATOM 1118 CB SER A 77 15.294 9.025 2.545 1.00 0.00 C ATOM 1119 OG SER A 77 15.050 10.027 1.560 1.00 0.00 O ATOM 0 H SER A 77 14.336 10.599 4.496 1.00 0.00 H new ATOM 0 HA SER A 77 13.318 8.334 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.157 9.311 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.546 8.086 2.052 1.00 0.00 H new ATOM 0 HG SER A 77 15.846 10.134 0.998 1.00 0.00 H new ATOM 1125 N VAL A 78 13.910 6.680 4.647 1.00 0.00 N ATOM 1126 CA VAL A 78 14.014 5.726 5.749 1.00 0.00 C ATOM 1127 C VAL A 78 14.083 4.331 5.122 1.00 0.00 C ATOM 1128 O VAL A 78 13.379 4.073 4.139 1.00 0.00 O ATOM 1129 CB VAL A 78 12.781 5.848 6.687 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.952 5.014 7.967 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.446 7.287 7.119 1.00 0.00 C ATOM 0 H VAL A 78 13.406 6.302 3.845 1.00 0.00 H new ATOM 0 HA VAL A 78 14.900 5.920 6.354 1.00 0.00 H new ATOM 0 HB VAL A 78 11.959 5.473 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.069 5.127 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.078 3.964 7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.831 5.359 8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.573 7.277 7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.294 7.713 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.233 7.891 6.237 1.00 0.00 H new ATOM 1141 N ASP A 79 14.840 3.404 5.711 1.00 0.00 N ATOM 1142 CA ASP A 79 14.865 2.018 5.243 1.00 0.00 C ATOM 1143 C ASP A 79 14.041 1.172 6.200 1.00 0.00 C ATOM 1144 O ASP A 79 13.983 1.474 7.400 1.00 0.00 O ATOM 1145 CB ASP A 79 16.280 1.428 5.222 1.00 0.00 C ATOM 1146 CG ASP A 79 16.296 0.238 4.257 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.890 -0.879 4.663 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.650 0.503 3.085 1.00 0.00 O ATOM 0 H ASP A 79 15.443 3.588 6.512 1.00 0.00 H new ATOM 0 HA ASP A 79 14.470 2.012 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.000 2.182 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.572 1.109 6.222 1.00 0.00 H new ATOM 1153 N ALA A 80 13.366 0.152 5.689 1.00 0.00 N ATOM 1154 CA ALA A 80 12.658 -0.812 6.499 1.00 0.00 C ATOM 1155 C ALA A 80 12.687 -2.139 5.762 1.00 0.00 C ATOM 1156 O ALA A 80 12.347 -2.202 4.584 1.00 0.00 O ATOM 1157 CB ALA A 80 11.219 -0.365 6.736 1.00 0.00 C ATOM 0 H ALA A 80 13.298 -0.026 4.687 1.00 0.00 H new ATOM 0 HA ALA A 80 13.134 -0.907 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.704 -1.105 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.217 0.596 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.707 -0.266 5.779 1.00 0.00 H new ATOM 1163 N ASN A 81 13.009 -3.211 6.487 1.00 0.00 N ATOM 1164 CA ASN A 81 13.099 -4.579 5.974 1.00 0.00 C ATOM 1165 C ASN A 81 14.003 -4.725 4.732 1.00 0.00 C ATOM 1166 O ASN A 81 13.851 -5.705 4.005 1.00 0.00 O ATOM 1167 CB ASN A 81 11.686 -5.171 5.763 1.00 0.00 C ATOM 1168 CG ASN A 81 10.932 -5.373 7.070 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.487 -5.876 8.045 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.665 -5.004 7.150 1.00 0.00 N ATOM 0 H ASN A 81 13.222 -3.149 7.483 1.00 0.00 H new ATOM 0 HA ASN A 81 13.603 -5.170 6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.112 -4.508 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.771 -6.127 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.149 -5.137 8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.203 -4.587 6.342 1.00 0.00 H new ATOM 1177 N GLY A 82 14.970 -3.823 4.507 1.00 0.00 N ATOM 1178 CA GLY A 82 15.869 -3.894 3.358 1.00 0.00 C ATOM 1179 C GLY A 82 15.228 -3.292 2.112 1.00 0.00 C ATOM 1180 O GLY A 82 15.448 -3.780 1.004 1.00 0.00 O ATOM 0 H GLY A 82 15.146 -3.026 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.794 -3.365 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.135 -4.933 3.166 1.00 0.00 H new ATOM 1184 N ILE A 83 14.392 -2.272 2.291 1.00 0.00 N ATOM 1185 CA ILE A 83 13.658 -1.576 1.251 1.00 0.00 C ATOM 1186 C ILE A 83 13.794 -0.107 1.625 1.00 0.00 C ATOM 1187 O ILE A 83 13.504 0.278 2.761 1.00 0.00 O ATOM 1188 CB ILE A 83 12.177 -2.023 1.214 1.00 0.00 C ATOM 1189 CG1 ILE A 83 12.014 -3.542 0.991 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.434 -1.261 0.100 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.655 -4.056 1.461 1.00 0.00 C ATOM 0 H ILE A 83 14.202 -1.892 3.218 1.00 0.00 H new ATOM 0 HA ILE A 83 14.043 -1.785 0.253 1.00 0.00 H new ATOM 0 HB ILE A 83 11.750 -1.791 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.138 -3.766 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.804 -4.072 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.391 -1.577 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.484 -0.190 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.901 -1.476 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.590 -5.129 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.540 -3.858 2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.863 -3.548 0.910 1.00 0.00 H new ATOM 1203 N GLN A 84 14.136 0.733 0.653 1.00 0.00 N ATOM 1204 CA GLN A 84 14.424 2.128 0.907 1.00 0.00 C ATOM 1205 C GLN A 84 13.231 2.962 0.466 1.00 0.00 C ATOM 1206 O GLN A 84 12.719 2.807 -0.647 1.00 0.00 O ATOM 1207 CB GLN A 84 15.702 2.512 0.141 1.00 0.00 C ATOM 1208 CG GLN A 84 16.180 3.955 0.385 1.00 0.00 C ATOM 1209 CD GLN A 84 16.537 4.293 1.835 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.478 5.448 2.240 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.932 3.332 2.654 1.00 0.00 N ATOM 0 H GLN A 84 14.219 0.461 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 84 14.592 2.311 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.500 1.825 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.526 2.376 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.054 4.140 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.400 4.639 0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.983 2.369 2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.185 3.554 3.617 1.00 0.00 H new ATOM 1220 N SER A 85 12.782 3.835 1.364 1.00 0.00 N ATOM 1221 CA SER A 85 11.749 4.810 1.085 1.00 0.00 C ATOM 1222 C SER A 85 12.473 6.143 0.927 1.00 0.00 C ATOM 1223 O SER A 85 13.405 6.401 1.687 1.00 0.00 O ATOM 1224 CB SER A 85 10.653 4.807 2.157 1.00 0.00 C ATOM 1225 OG SER A 85 11.101 5.205 3.438 1.00 0.00 O ATOM 0 H SER A 85 13.136 3.880 2.320 1.00 0.00 H new ATOM 0 HA SER A 85 11.200 4.580 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.849 5.472 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.230 3.805 2.226 1.00 0.00 H new ATOM 0 HG SER A 85 12.042 4.954 3.548 1.00 0.00 H new ATOM 1231 N GLN A 86 12.086 6.970 -0.045 1.00 0.00 N ATOM 1232 CA GLN A 86 12.777 8.217 -0.372 1.00 0.00 C ATOM 1233 C GLN A 86 11.821 9.410 -0.268 1.00 0.00 C ATOM 1234 O GLN A 86 10.612 9.246 -0.435 1.00 0.00 O ATOM 1235 CB GLN A 86 13.435 8.075 -1.760 1.00 0.00 C ATOM 1236 CG GLN A 86 12.431 8.001 -2.926 1.00 0.00 C ATOM 1237 CD GLN A 86 12.846 7.024 -4.028 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.364 7.413 -5.070 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.572 5.743 -3.844 1.00 0.00 N ATOM 0 H GLN A 86 11.273 6.790 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 86 13.571 8.414 0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.103 8.921 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.052 7.176 -1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.456 7.705 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.314 8.995 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.141 5.434 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.791 5.065 -4.573 1.00 0.00 H new ATOM 1248 N MET A 87 12.343 10.606 0.012 1.00 0.00 N ATOM 1249 CA MET A 87 11.538 11.826 0.048 1.00 0.00 C ATOM 1250 C MET A 87 10.975 12.185 -1.341 1.00 0.00 C ATOM 1251 O MET A 87 11.412 11.639 -2.354 1.00 0.00 O ATOM 1252 CB MET A 87 12.341 12.968 0.700 1.00 0.00 C ATOM 1253 CG MET A 87 13.519 13.510 -0.124 1.00 0.00 C ATOM 1254 SD MET A 87 13.112 14.628 -1.501 1.00 0.00 S ATOM 1255 CE MET A 87 12.453 16.067 -0.613 1.00 0.00 C ATOM 0 H MET A 87 13.331 10.755 0.219 1.00 0.00 H new ATOM 0 HA MET A 87 10.661 11.653 0.672 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.659 13.792 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.723 12.617 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.193 14.036 0.552 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.070 12.661 -0.528 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.378 16.913 -1.296 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.465 15.830 -0.219 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.120 16.323 0.210 1.00 0.00 H new ATOM 1265 N LEU A 88 10.015 13.121 -1.396 1.00 0.00 N ATOM 1266 CA LEU A 88 9.416 13.636 -2.627 1.00 0.00 C ATOM 1267 C LEU A 88 9.146 15.130 -2.490 1.00 0.00 C ATOM 1268 O LEU A 88 9.149 15.681 -1.385 1.00 0.00 O ATOM 1269 CB LEU A 88 8.067 12.995 -2.979 1.00 0.00 C ATOM 1270 CG LEU A 88 7.969 11.471 -2.819 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.350 11.156 -1.461 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.085 10.933 -3.935 1.00 0.00 C ATOM 0 H LEU A 88 9.625 13.550 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 88 10.137 13.402 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.299 13.453 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.830 13.245 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 88 8.955 11.009 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.276 10.076 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.976 11.570 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.355 11.597 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.000 9.850 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.094 11.382 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.526 11.181 -4.900 1.00 0.00 H new ATOM 1284 N SER A 89 8.774 15.753 -3.605 1.00 0.00 N ATOM 1285 CA SER A 89 8.460 17.161 -3.732 1.00 0.00 C ATOM 1286 C SER A 89 6.946 17.423 -3.740 1.00 0.00 C ATOM 1287 O SER A 89 6.357 17.643 -4.798 1.00 0.00 O ATOM 1288 CB SER A 89 9.188 17.702 -4.973 1.00 0.00 C ATOM 1289 OG SER A 89 9.173 16.769 -6.048 1.00 0.00 O ATOM 0 H SER A 89 8.680 15.255 -4.490 1.00 0.00 H new ATOM 0 HA SER A 89 8.816 17.704 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.717 18.632 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.220 17.940 -4.713 1.00 0.00 H new ATOM 0 HG SER A 89 9.644 17.150 -6.818 1.00 0.00 H new ATOM 1295 N ARG A 90 6.316 17.419 -2.556 1.00 0.00 N ATOM 1296 CA ARG A 90 4.901 17.793 -2.381 1.00 0.00 C ATOM 1297 C ARG A 90 3.933 16.947 -3.224 1.00 0.00 C ATOM 1298 O ARG A 90 3.240 17.465 -4.101 1.00 0.00 O ATOM 1299 CB ARG A 90 4.732 19.317 -2.579 1.00 0.00 C ATOM 1300 CG ARG A 90 3.425 19.881 -1.984 1.00 0.00 C ATOM 1301 CD ARG A 90 2.712 20.853 -2.930 1.00 0.00 C ATOM 1302 NE ARG A 90 2.050 20.132 -4.027 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.113 20.382 -5.339 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.796 21.416 -5.817 1.00 0.00 N ATOM 1305 NH2 ARG A 90 1.472 19.586 -6.184 1.00 0.00 N ATOM 0 H ARG A 90 6.776 17.154 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 90 4.616 17.559 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.579 19.829 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.761 19.541 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.754 19.056 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.648 20.391 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.975 21.432 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.432 21.562 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 90 1.469 19.340 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.288 22.041 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.828 21.585 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.938 18.792 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.513 19.768 -7.187 1.00 0.00 H new ATOM 1319 N TRP A 91 3.885 15.635 -2.994 1.00 0.00 N ATOM 1320 CA TRP A 91 3.094 14.756 -3.836 1.00 0.00 C ATOM 1321 C TRP A 91 1.650 14.801 -3.338 1.00 0.00 C ATOM 1322 O TRP A 91 1.327 14.382 -2.224 1.00 0.00 O ATOM 1323 CB TRP A 91 3.662 13.331 -3.805 1.00 0.00 C ATOM 1324 CG TRP A 91 3.336 12.496 -5.004 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.128 11.981 -5.321 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.234 12.058 -6.061 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.217 11.279 -6.505 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.514 11.227 -6.966 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.594 12.277 -6.334 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.130 10.602 -8.058 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.246 11.577 -7.359 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.517 10.747 -8.229 1.00 0.00 C ATOM 0 H TRP A 91 4.382 15.166 -2.237 1.00 0.00 H new ATOM 0 HA TRP A 91 3.127 15.085 -4.874 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.746 13.390 -3.705 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.287 12.825 -2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.228 12.101 -4.736 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.422 10.852 -6.980 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.146 12.995 -5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.549 10.019 -8.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.315 11.676 -7.481 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.022 10.222 -9.027 1.00 0.00 H new ATOM 1343 N SER A 92 0.753 15.317 -4.173 1.00 0.00 N ATOM 1344 CA SER A 92 -0.643 15.546 -3.821 1.00 0.00 C ATOM 1345 C SER A 92 -1.480 14.254 -3.875 1.00 0.00 C ATOM 1346 O SER A 92 -2.657 14.304 -4.226 1.00 0.00 O ATOM 1347 CB SER A 92 -1.211 16.602 -4.776 1.00 0.00 C ATOM 1348 OG SER A 92 -0.344 17.719 -4.895 1.00 0.00 O ATOM 0 H SER A 92 0.980 15.592 -5.129 1.00 0.00 H new ATOM 0 HA SER A 92 -0.693 15.898 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.369 16.157 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.185 16.933 -4.415 1.00 0.00 H new ATOM 0 HG SER A 92 -0.801 18.437 -5.380 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.900 13.099 -3.540 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.536 11.794 -3.525 1.00 0.00 C ATOM 1356 C ALA A 93 -0.655 10.886 -2.666 1.00 0.00 C ATOM 1357 O ALA A 93 0.454 10.536 -3.079 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.707 11.246 -4.951 1.00 0.00 C ATOM 0 H ALA A 93 0.079 13.055 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.541 11.851 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.186 10.268 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.327 11.929 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.730 11.152 -5.424 1.00 0.00 H new ATOM 1364 N SER A 94 -1.121 10.529 -1.475 1.00 0.00 N ATOM 1365 CA SER A 94 -0.404 9.648 -0.560 1.00 0.00 C ATOM 1366 C SER A 94 -1.321 8.520 -0.079 1.00 0.00 C ATOM 1367 O SER A 94 -2.525 8.517 -0.350 1.00 0.00 O ATOM 1368 CB SER A 94 0.136 10.451 0.636 1.00 0.00 C ATOM 1369 OG SER A 94 0.685 11.713 0.292 1.00 0.00 O ATOM 0 H SER A 94 -2.020 10.847 -1.112 1.00 0.00 H new ATOM 0 HA SER A 94 0.439 9.204 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.672 10.602 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.901 9.860 1.140 1.00 0.00 H new ATOM 0 HG SER A 94 0.085 12.425 0.598 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.757 7.553 0.639 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.474 6.477 1.292 1.00 0.00 C ATOM 1377 C PHE A 95 -0.651 5.935 2.450 1.00 0.00 C ATOM 1378 O PHE A 95 0.480 6.355 2.666 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.852 5.376 0.275 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.714 4.558 -0.324 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.044 5.003 -1.482 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.380 3.303 0.224 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.935 4.195 -2.093 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.582 2.488 -0.401 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.234 2.927 -1.565 1.00 0.00 C ATOM 0 H PHE A 95 0.251 7.501 0.784 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.408 6.862 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.541 4.688 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.397 5.846 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.283 5.969 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.865 2.965 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.457 4.551 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.820 1.521 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.961 2.294 -2.052 1.00 0.00 H new ATOM 1395 N THR A 96 -1.246 5.035 3.216 1.00 0.00 N ATOM 1396 CA THR A 96 -0.649 4.273 4.290 1.00 0.00 C ATOM 1397 C THR A 96 -1.232 2.873 4.080 1.00 0.00 C ATOM 1398 O THR A 96 -2.411 2.721 3.743 1.00 0.00 O ATOM 1399 CB THR A 96 -0.915 4.925 5.667 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.512 4.060 6.700 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.379 5.310 5.915 1.00 0.00 C ATOM 0 H THR A 96 -2.232 4.804 3.090 1.00 0.00 H new ATOM 0 HA THR A 96 0.440 4.234 4.278 1.00 0.00 H new ATOM 0 HB THR A 96 -0.333 5.847 5.660 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.683 4.484 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.475 5.760 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.700 6.025 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.004 4.419 5.860 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.386 1.849 4.140 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.794 0.476 3.894 1.00 0.00 C ATOM 1411 C VAL A 97 -0.834 -0.281 5.226 1.00 0.00 C ATOM 1412 O VAL A 97 -0.152 0.105 6.172 1.00 0.00 O ATOM 1413 CB VAL A 97 0.089 -0.099 2.779 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.459 -0.579 3.233 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.636 -1.216 2.053 1.00 0.00 C ATOM 0 H VAL A 97 0.604 1.952 4.362 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.811 0.383 3.512 1.00 0.00 H new ATOM 0 HB VAL A 97 0.278 0.736 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.010 -0.968 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.009 0.254 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.340 -1.367 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.004 -1.613 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.879 -2.011 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.555 -0.828 1.613 1.00 0.00 H new ATOM 1425 N THR A 98 -1.619 -1.349 5.302 1.00 0.00 N ATOM 1426 CA THR A 98 -1.911 -2.151 6.485 1.00 0.00 C ATOM 1427 C THR A 98 -2.242 -3.586 6.028 1.00 0.00 C ATOM 1428 O THR A 98 -2.127 -3.889 4.836 1.00 0.00 O ATOM 1429 CB THR A 98 -3.096 -1.497 7.242 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.115 -1.032 6.376 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.686 -0.289 8.082 1.00 0.00 C ATOM 0 H THR A 98 -2.104 -1.704 4.478 1.00 0.00 H new ATOM 0 HA THR A 98 -1.059 -2.196 7.163 1.00 0.00 H new ATOM 0 HB THR A 98 -3.458 -2.304 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.894 -1.273 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.563 0.119 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.952 -0.596 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.250 0.473 7.435 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.612 -4.473 6.957 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.096 -5.835 6.704 1.00 0.00 C ATOM 1441 C LEU A 99 -4.616 -5.836 6.863 1.00 0.00 C ATOM 1442 O LEU A 99 -5.140 -5.011 7.618 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.538 -6.829 7.737 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.115 -7.319 7.445 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -0.600 -8.076 8.658 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.062 -8.275 6.242 1.00 0.00 C ATOM 0 H LEU A 99 -2.581 -4.251 7.952 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.778 -6.132 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.552 -6.358 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.202 -7.692 7.788 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.507 -6.443 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.412 -8.430 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.592 -7.414 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.250 -8.928 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.033 -8.594 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.684 -9.147 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.431 -7.763 5.354 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.313 -6.743 6.174 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.749 -6.932 6.360 1.00 0.00 C ATOM 1460 C GLU A 100 -6.865 -7.732 7.648 1.00 0.00 C ATOM 1461 O GLU A 100 -6.323 -8.863 7.673 1.00 0.00 O ATOM 1462 CB GLU A 100 -7.420 -7.655 5.168 1.00 0.00 C ATOM 1463 CG GLU A 100 -8.892 -7.986 5.498 1.00 0.00 C ATOM 1464 CD GLU A 100 -9.668 -8.710 4.389 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -9.365 -9.888 4.089 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -10.705 -8.167 3.936 1.00 0.00 O ATOM 1467 OXT GLU A 100 -7.451 -7.206 8.613 1.00 0.00 O ATOM 0 H GLU A 100 -4.899 -7.362 5.477 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.272 -5.977 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.373 -7.026 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.877 -8.572 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.916 -8.603 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.411 -7.057 5.735 1.00 0.00 H new TER 1474 GLU A 100