USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -87:sc= 1.17 USER MOD Set 1.2: A 71 TYR OH : rot 30:sc= 0.964 USER MOD Single : A 1 SER N :NH3+ -125:sc= 0.143 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 8 LYS NZ :NH3+ 130:sc= -0.473 (180deg=-1.42!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.728 K(o=-0.73,f=-1.7!) USER MOD Single : A 14 GLN : amide:sc= -8.35! C(o=-8.3!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.93 K(o=-1.9,f=-4.3!) USER MOD Single : A 25 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 36:sc= 0.329 USER MOD Single : A 39 THR OG1 : rot 180:sc= -3.16! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 35:sc= 0.324 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 66 GLN : amide:sc= -3.18 K(o=-3.2,f=-9.3!) USER MOD Single : A 73 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.0007) USER MOD Single : A 75 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.051) USER MOD Single : A 76 GLN : amide:sc= 0.831 K(o=0.83,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.879 -9.285 -10.951 1.00 0.00 N ATOM 2 CA SER A 1 -2.044 -10.525 -10.211 1.00 0.00 C ATOM 3 C SER A 1 -3.196 -10.389 -9.213 1.00 0.00 C ATOM 4 O SER A 1 -3.886 -9.370 -9.191 1.00 0.00 O ATOM 5 CB SER A 1 -0.754 -10.908 -9.483 1.00 0.00 C ATOM 6 OG SER A 1 0.249 -11.370 -10.383 1.00 0.00 O ATOM 0 H1 SER A 1 -1.927 -9.481 -11.971 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.636 -8.622 -10.690 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.956 -8.864 -10.722 1.00 0.00 H new ATOM 0 HA SER A 1 -2.278 -11.318 -10.921 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.378 -10.045 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.969 -11.685 -8.749 1.00 0.00 H new ATOM 0 HG SER A 1 1.057 -11.603 -9.880 1.00 0.00 H new ATOM 12 N THR A 2 -3.369 -11.429 -8.412 1.00 0.00 N ATOM 13 CA THR A 2 -4.425 -11.439 -7.414 1.00 0.00 C ATOM 14 C THR A 2 -3.915 -10.865 -6.091 1.00 0.00 C ATOM 15 O THR A 2 -4.419 -11.212 -5.024 1.00 0.00 O ATOM 16 CB THR A 2 -4.949 -12.871 -7.294 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.783 -13.680 -7.429 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.824 -13.277 -8.481 1.00 0.00 C ATOM 0 H THR A 2 -2.795 -12.272 -8.434 1.00 0.00 H new ATOM 0 HA THR A 2 -5.255 -10.798 -7.711 1.00 0.00 H new ATOM 0 HB THR A 2 -5.521 -12.971 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.031 -14.626 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.169 -14.302 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.684 -12.610 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.244 -13.209 -9.401 1.00 0.00 H new ATOM 26 N ILE A 3 -2.920 -9.996 -6.204 1.00 0.00 N ATOM 27 CA ILE A 3 -2.336 -9.371 -5.030 1.00 0.00 C ATOM 28 C ILE A 3 -2.624 -7.869 -5.061 1.00 0.00 C ATOM 29 O ILE A 3 -3.126 -7.309 -4.088 1.00 0.00 O ATOM 30 CB ILE A 3 -0.848 -9.710 -4.927 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.402 -9.785 -3.466 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.003 -8.722 -5.734 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.055 -8.415 -2.961 1.00 0.00 C ATOM 0 H ILE A 3 -2.504 -9.711 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.792 -9.765 -4.122 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.692 -10.697 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.224 -10.148 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.412 -10.503 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.051 -8.986 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.298 -8.762 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.158 -7.713 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.367 -8.496 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.893 -8.066 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.769 -7.705 -3.039 1.00 0.00 H new ATOM 45 N GLU A 4 -2.293 -7.258 -6.190 1.00 0.00 N ATOM 46 CA GLU A 4 -2.510 -5.832 -6.361 1.00 0.00 C ATOM 47 C GLU A 4 -3.991 -5.494 -6.176 1.00 0.00 C ATOM 48 O GLU A 4 -4.329 -4.421 -5.678 1.00 0.00 O ATOM 49 CB GLU A 4 -2.007 -5.360 -7.727 1.00 0.00 C ATOM 50 CG GLU A 4 -3.038 -5.646 -8.820 1.00 0.00 C ATOM 51 CD GLU A 4 -2.472 -5.327 -10.205 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.275 -5.031 -10.332 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.324 -5.396 -11.171 1.00 0.00 O ATOM 0 H GLU A 4 -1.876 -7.725 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.938 -5.304 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.797 -4.291 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.069 -5.862 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.337 -6.693 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.934 -5.051 -8.644 1.00 0.00 H new ATOM 61 N GLU A 5 -4.834 -6.429 -6.587 1.00 0.00 N ATOM 62 CA GLU A 5 -6.271 -6.244 -6.472 1.00 0.00 C ATOM 63 C GLU A 5 -6.675 -6.121 -5.002 1.00 0.00 C ATOM 64 O GLU A 5 -7.543 -5.320 -4.658 1.00 0.00 O ATOM 65 CB GLU A 5 -7.027 -7.386 -7.155 1.00 0.00 C ATOM 66 CG GLU A 5 -6.513 -8.746 -6.678 1.00 0.00 C ATOM 67 CD GLU A 5 -7.479 -9.866 -7.070 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.951 -9.905 -8.216 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.736 -10.716 -6.134 1.00 0.00 O ATOM 0 H GLU A 5 -4.550 -7.317 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.540 -5.318 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.092 -7.301 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.911 -7.308 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.531 -8.940 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.387 -8.732 -5.595 1.00 0.00 H new ATOM 77 N ARG A 6 -6.026 -6.926 -4.173 1.00 0.00 N ATOM 78 CA ARG A 6 -6.307 -6.917 -2.748 1.00 0.00 C ATOM 79 C ARG A 6 -5.543 -5.781 -2.064 1.00 0.00 C ATOM 80 O ARG A 6 -6.000 -5.239 -1.059 1.00 0.00 O ATOM 81 CB ARG A 6 -5.915 -8.247 -2.101 1.00 0.00 C ATOM 82 CG ARG A 6 -6.942 -9.335 -2.421 1.00 0.00 C ATOM 83 CD ARG A 6 -6.266 -10.699 -2.577 1.00 0.00 C ATOM 84 NE ARG A 6 -5.954 -11.264 -1.245 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.483 -12.513 -1.044 1.00 0.00 C ATOM 86 NH1 ARG A 6 -5.265 -13.339 -2.089 1.00 0.00 N ATOM 87 NH2 ARG A 6 -5.239 -12.914 0.190 1.00 0.00 N ATOM 0 H ARG A 6 -5.306 -7.589 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.379 -6.767 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.932 -8.553 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.837 -8.121 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.686 -9.383 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.472 -9.081 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.920 -11.378 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.351 -10.596 -3.161 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.104 -10.673 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.456 -13.021 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.909 -14.281 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.407 -12.283 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.883 -13.855 0.360 1.00 0.00 H new ATOM 100 N VAL A 7 -4.393 -5.455 -2.635 1.00 0.00 N ATOM 101 CA VAL A 7 -3.562 -4.394 -2.093 1.00 0.00 C ATOM 102 C VAL A 7 -4.382 -3.106 -2.002 1.00 0.00 C ATOM 103 O VAL A 7 -4.261 -2.355 -1.035 1.00 0.00 O ATOM 104 CB VAL A 7 -2.296 -4.238 -2.938 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.648 -2.871 -2.707 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.305 -5.369 -2.655 1.00 0.00 C ATOM 0 H VAL A 7 -4.017 -5.907 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.235 -4.643 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.584 -4.300 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.750 -2.786 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.351 -2.084 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.381 -2.768 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.414 -5.234 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.026 -5.353 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.768 -6.327 -2.893 1.00 0.00 H new ATOM 116 N LYS A 8 -5.199 -2.889 -3.022 1.00 0.00 N ATOM 117 CA LYS A 8 -6.039 -1.704 -3.069 1.00 0.00 C ATOM 118 C LYS A 8 -6.845 -1.604 -1.773 1.00 0.00 C ATOM 119 O LYS A 8 -7.065 -0.509 -1.257 1.00 0.00 O ATOM 120 CB LYS A 8 -6.904 -1.711 -4.332 1.00 0.00 C ATOM 121 CG LYS A 8 -6.037 -1.642 -5.591 1.00 0.00 C ATOM 122 CD LYS A 8 -4.979 -0.543 -5.468 1.00 0.00 C ATOM 123 CE LYS A 8 -4.635 0.041 -6.840 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.851 0.565 -7.500 1.00 0.00 N ATOM 0 H LYS A 8 -5.297 -3.514 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.426 -0.805 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.513 -2.615 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.590 -0.864 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.551 -2.604 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.666 -1.451 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.345 0.248 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.079 -0.949 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.902 0.840 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.177 -0.727 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.673 1.532 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.098 -0.043 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.638 0.575 -6.820 1.00 0.00 H new ATOM 137 N LYS A 9 -7.263 -2.761 -1.282 1.00 0.00 N ATOM 138 CA LYS A 9 -8.040 -2.817 -0.055 1.00 0.00 C ATOM 139 C LYS A 9 -7.183 -2.315 1.109 1.00 0.00 C ATOM 140 O LYS A 9 -7.606 -1.441 1.864 1.00 0.00 O ATOM 141 CB LYS A 9 -8.604 -4.224 0.158 1.00 0.00 C ATOM 142 CG LYS A 9 -10.106 -4.174 0.444 1.00 0.00 C ATOM 143 CD LYS A 9 -10.592 -5.491 1.055 1.00 0.00 C ATOM 144 CE LYS A 9 -12.062 -5.395 1.465 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.756 -6.678 1.209 1.00 0.00 N ATOM 0 H LYS A 9 -7.078 -3.668 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.906 -2.158 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.419 -4.832 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.088 -4.705 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.323 -3.351 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.649 -3.975 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.464 -6.299 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.984 -5.739 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.135 -5.140 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.549 -4.594 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.753 -6.596 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.702 -6.906 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.301 -7.435 1.759 1.00 0.00 H new ATOM 158 N ILE A 10 -5.994 -2.890 1.218 1.00 0.00 N ATOM 159 CA ILE A 10 -5.074 -2.511 2.277 1.00 0.00 C ATOM 160 C ILE A 10 -4.962 -0.986 2.328 1.00 0.00 C ATOM 161 O ILE A 10 -5.115 -0.384 3.390 1.00 0.00 O ATOM 162 CB ILE A 10 -3.731 -3.222 2.099 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.858 -4.717 2.394 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.644 -2.560 2.949 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.640 -5.485 1.876 1.00 0.00 C ATOM 0 H ILE A 10 -5.647 -3.615 0.590 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.453 -2.835 3.246 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.429 -3.125 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.960 -4.872 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.763 -5.107 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.699 -3.084 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.531 -1.518 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.927 -2.605 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.757 -6.546 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.555 -5.348 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.739 -5.109 2.361 1.00 0.00 H new ATOM 177 N ILE A 11 -4.695 -0.405 1.167 1.00 0.00 N ATOM 178 CA ILE A 11 -4.559 1.038 1.067 1.00 0.00 C ATOM 179 C ILE A 11 -5.939 1.686 1.205 1.00 0.00 C ATOM 180 O ILE A 11 -6.055 2.808 1.695 1.00 0.00 O ATOM 181 CB ILE A 11 -3.828 1.419 -0.222 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.532 0.618 -0.374 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.580 2.927 -0.287 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.625 0.807 0.844 1.00 0.00 C ATOM 0 H ILE A 11 -4.569 -0.907 0.288 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.943 1.420 1.881 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.468 1.162 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.766 -0.439 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.008 0.935 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.059 3.170 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.534 3.454 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.970 3.232 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.711 0.228 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.373 1.862 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.143 0.466 1.740 1.00 0.00 H new ATOM 196 N GLY A 12 -6.949 0.951 0.764 1.00 0.00 N ATOM 197 CA GLY A 12 -8.316 1.440 0.832 1.00 0.00 C ATOM 198 C GLY A 12 -8.805 1.499 2.281 1.00 0.00 C ATOM 199 O GLY A 12 -9.706 2.271 2.605 1.00 0.00 O ATOM 0 H GLY A 12 -6.848 0.021 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.374 2.432 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.968 0.789 0.250 1.00 0.00 H new ATOM 203 N GLN A 13 -8.189 0.672 3.114 1.00 0.00 N ATOM 204 CA GLN A 13 -8.551 0.621 4.520 1.00 0.00 C ATOM 205 C GLN A 13 -7.487 1.321 5.368 1.00 0.00 C ATOM 206 O GLN A 13 -7.790 2.270 6.090 1.00 0.00 O ATOM 207 CB GLN A 13 -8.756 -0.824 4.981 1.00 0.00 C ATOM 208 CG GLN A 13 -10.230 -1.098 5.287 1.00 0.00 C ATOM 209 CD GLN A 13 -10.747 -0.159 6.379 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.222 0.935 6.120 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.628 -0.645 7.611 1.00 0.00 N ATOM 0 H GLN A 13 -7.442 0.033 2.842 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.496 1.148 4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.408 -1.509 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.155 -1.015 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.823 -0.970 4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.353 -2.133 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.221 -1.569 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.944 -0.094 8.409 1.00 0.00 H new ATOM 220 N GLN A 14 -6.264 0.827 5.252 1.00 0.00 N ATOM 221 CA GLN A 14 -5.153 1.393 5.998 1.00 0.00 C ATOM 222 C GLN A 14 -5.226 2.922 5.979 1.00 0.00 C ATOM 223 O GLN A 14 -5.413 3.551 7.020 1.00 0.00 O ATOM 224 CB GLN A 14 -3.814 0.901 5.447 1.00 0.00 C ATOM 225 CG GLN A 14 -3.597 -0.578 5.773 1.00 0.00 C ATOM 226 CD GLN A 14 -3.617 -0.815 7.284 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.603 -0.756 7.961 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.823 -1.087 7.774 1.00 0.00 N ATOM 0 H GLN A 14 -6.017 0.040 4.652 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.227 1.057 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.785 1.047 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.003 1.493 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.374 -1.177 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.643 -0.908 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.631 -1.121 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.940 -1.262 8.772 1.00 0.00 H new ATOM 237 N LEU A 15 -5.074 3.475 4.785 1.00 0.00 N ATOM 238 CA LEU A 15 -5.119 4.917 4.617 1.00 0.00 C ATOM 239 C LEU A 15 -6.526 5.420 4.946 1.00 0.00 C ATOM 240 O LEU A 15 -6.690 6.532 5.446 1.00 0.00 O ATOM 241 CB LEU A 15 -4.638 5.309 3.218 1.00 0.00 C ATOM 242 CG LEU A 15 -3.366 4.615 2.728 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.577 5.521 1.781 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.514 4.136 3.905 1.00 0.00 C ATOM 0 H LEU A 15 -4.919 2.950 3.924 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.435 5.403 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.439 5.100 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.470 6.386 3.201 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.657 3.731 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.678 5.003 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.194 5.770 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.297 6.436 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.616 3.646 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.231 4.990 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.087 3.430 4.506 1.00 0.00 H new ATOM 256 N GLY A 16 -7.505 4.577 4.654 1.00 0.00 N ATOM 257 CA GLY A 16 -8.893 4.922 4.913 1.00 0.00 C ATOM 258 C GLY A 16 -9.482 5.731 3.755 1.00 0.00 C ATOM 259 O GLY A 16 -9.710 6.932 3.886 1.00 0.00 O ATOM 0 H GLY A 16 -7.365 3.655 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.476 4.013 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.962 5.498 5.836 1.00 0.00 H new ATOM 263 N VAL A 17 -9.711 5.039 2.649 1.00 0.00 N ATOM 264 CA VAL A 17 -10.269 5.678 1.469 1.00 0.00 C ATOM 265 C VAL A 17 -11.157 4.679 0.725 1.00 0.00 C ATOM 266 O VAL A 17 -11.067 3.473 0.953 1.00 0.00 O ATOM 267 CB VAL A 17 -9.145 6.243 0.599 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.651 7.397 -0.269 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.956 6.682 1.456 1.00 0.00 C ATOM 0 H VAL A 17 -9.520 4.042 2.545 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.897 6.522 1.753 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.804 5.449 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.832 7.781 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.450 7.040 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.032 8.193 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.171 7.080 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.277 7.453 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.572 5.826 2.011 1.00 0.00 H new ATOM 279 N LYS A 18 -11.994 5.216 -0.150 1.00 0.00 N ATOM 280 CA LYS A 18 -12.897 4.386 -0.930 1.00 0.00 C ATOM 281 C LYS A 18 -12.095 3.616 -1.981 1.00 0.00 C ATOM 282 O LYS A 18 -10.884 3.795 -2.097 1.00 0.00 O ATOM 283 CB LYS A 18 -14.029 5.232 -1.517 1.00 0.00 C ATOM 284 CG LYS A 18 -15.041 5.619 -0.437 1.00 0.00 C ATOM 285 CD LYS A 18 -14.527 6.791 0.402 1.00 0.00 C ATOM 286 CE LYS A 18 -15.603 7.285 1.371 1.00 0.00 C ATOM 287 NZ LYS A 18 -15.060 8.345 2.251 1.00 0.00 N ATOM 0 H LYS A 18 -12.066 6.216 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.381 3.646 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.616 6.132 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.531 4.675 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.989 5.888 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.235 4.762 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.643 6.483 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.221 7.606 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.456 7.670 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.967 6.454 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.803 8.669 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.261 7.966 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.735 9.145 1.671 1.00 0.00 H new ATOM 300 N GLN A 19 -12.804 2.775 -2.720 1.00 0.00 N ATOM 301 CA GLN A 19 -12.174 1.977 -3.758 1.00 0.00 C ATOM 302 C GLN A 19 -12.074 2.779 -5.057 1.00 0.00 C ATOM 303 O GLN A 19 -11.044 2.754 -5.728 1.00 0.00 O ATOM 304 CB GLN A 19 -12.933 0.667 -3.979 1.00 0.00 C ATOM 305 CG GLN A 19 -14.128 0.876 -4.911 1.00 0.00 C ATOM 306 CD GLN A 19 -14.944 -0.410 -5.053 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.814 -1.347 -4.282 1.00 0.00 O ATOM 308 NE2 GLN A 19 -15.789 -0.404 -6.080 1.00 0.00 N ATOM 0 H GLN A 19 -13.809 2.629 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.165 1.723 -3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.262 -0.079 -4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.278 0.276 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.762 1.672 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.777 1.198 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.848 0.414 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.378 -1.217 -6.261 1.00 0.00 H new ATOM 317 N GLU A 20 -13.159 3.471 -5.372 1.00 0.00 N ATOM 318 CA GLU A 20 -13.206 4.279 -6.579 1.00 0.00 C ATOM 319 C GLU A 20 -12.161 5.395 -6.513 1.00 0.00 C ATOM 320 O GLU A 20 -11.458 5.650 -7.489 1.00 0.00 O ATOM 321 CB GLU A 20 -14.607 4.853 -6.800 1.00 0.00 C ATOM 322 CG GLU A 20 -15.609 3.744 -7.129 1.00 0.00 C ATOM 323 CD GLU A 20 -16.773 4.285 -7.960 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.910 4.347 -7.468 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.465 4.651 -9.158 1.00 0.00 O ATOM 0 H GLU A 20 -14.012 3.489 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.972 3.639 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.930 5.387 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.582 5.579 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.107 2.946 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.989 3.307 -6.206 1.00 0.00 H new ATOM 333 N GLU A 21 -12.092 6.029 -5.352 1.00 0.00 N ATOM 334 CA GLU A 21 -11.145 7.111 -5.145 1.00 0.00 C ATOM 335 C GLU A 21 -9.712 6.576 -5.177 1.00 0.00 C ATOM 336 O GLU A 21 -8.773 7.321 -5.452 1.00 0.00 O ATOM 337 CB GLU A 21 -11.427 7.844 -3.832 1.00 0.00 C ATOM 338 CG GLU A 21 -12.361 9.034 -4.058 1.00 0.00 C ATOM 339 CD GLU A 21 -11.646 10.356 -3.771 1.00 0.00 C ATOM 340 OE1 GLU A 21 -10.439 10.476 -4.029 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.389 11.279 -3.263 1.00 0.00 O ATOM 0 H GLU A 21 -12.677 5.814 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.262 7.830 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.876 7.155 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.490 8.190 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.721 9.027 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.235 8.942 -3.413 1.00 0.00 H new ATOM 349 N VAL A 22 -9.589 5.287 -4.893 1.00 0.00 N ATOM 350 CA VAL A 22 -8.287 4.643 -4.886 1.00 0.00 C ATOM 351 C VAL A 22 -7.919 4.231 -6.313 1.00 0.00 C ATOM 352 O VAL A 22 -8.607 3.414 -6.923 1.00 0.00 O ATOM 353 CB VAL A 22 -8.289 3.468 -3.906 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.219 2.441 -4.279 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.105 3.954 -2.467 1.00 0.00 C ATOM 0 H VAL A 22 -10.370 4.672 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.520 5.336 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.260 2.978 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.242 1.616 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.414 2.060 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.237 2.914 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.110 3.099 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.154 4.480 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.919 4.629 -2.204 1.00 0.00 H new ATOM 365 N THR A 23 -6.835 4.815 -6.802 1.00 0.00 N ATOM 366 CA THR A 23 -6.367 4.518 -8.146 1.00 0.00 C ATOM 367 C THR A 23 -4.886 4.138 -8.123 1.00 0.00 C ATOM 368 O THR A 23 -4.127 4.634 -7.292 1.00 0.00 O ATOM 369 CB THR A 23 -6.670 5.729 -9.030 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.977 6.802 -8.399 1.00 0.00 O ATOM 371 CG2 THR A 23 -8.141 6.147 -8.967 1.00 0.00 C ATOM 0 H THR A 23 -6.267 5.492 -6.292 1.00 0.00 H new ATOM 0 HA THR A 23 -6.885 3.655 -8.564 1.00 0.00 H new ATOM 0 HB THR A 23 -6.401 5.501 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.118 7.627 -8.909 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.302 7.011 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.769 5.321 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.402 6.407 -7.941 1.00 0.00 H new ATOM 379 N ASN A 24 -4.518 3.261 -9.045 1.00 0.00 N ATOM 380 CA ASN A 24 -3.141 2.808 -9.142 1.00 0.00 C ATOM 381 C ASN A 24 -2.325 3.835 -9.929 1.00 0.00 C ATOM 382 O ASN A 24 -2.005 3.617 -11.096 1.00 0.00 O ATOM 383 CB ASN A 24 -3.051 1.469 -9.877 1.00 0.00 C ATOM 384 CG ASN A 24 -3.847 1.507 -11.183 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.108 2.554 -11.751 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.216 0.308 -11.626 1.00 0.00 N ATOM 0 H ASN A 24 -5.151 2.852 -9.733 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.753 2.690 -8.130 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.008 1.236 -10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.432 0.673 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.751 0.226 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.964 -0.529 -11.101 1.00 0.00 H new ATOM 393 N ASN A 25 -2.012 4.934 -9.258 1.00 0.00 N ATOM 394 CA ASN A 25 -1.239 5.996 -9.880 1.00 0.00 C ATOM 395 C ASN A 25 -1.102 7.163 -8.900 1.00 0.00 C ATOM 396 O ASN A 25 -0.065 7.822 -8.855 1.00 0.00 O ATOM 397 CB ASN A 25 -1.933 6.516 -11.140 1.00 0.00 C ATOM 398 CG ASN A 25 -1.070 7.562 -11.850 1.00 0.00 C ATOM 399 OD1 ASN A 25 -0.547 8.485 -11.248 1.00 0.00 O ATOM 400 ND2 ASN A 25 -0.952 7.366 -13.160 1.00 0.00 N ATOM 0 H ASN A 25 -2.280 5.112 -8.290 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.263 5.591 -10.147 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.135 5.686 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.896 6.953 -10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.397 8.009 -13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.417 6.572 -13.601 1.00 0.00 H new ATOM 407 N ALA A 26 -2.164 7.382 -8.139 1.00 0.00 N ATOM 408 CA ALA A 26 -2.175 8.458 -7.162 1.00 0.00 C ATOM 409 C ALA A 26 -0.900 8.390 -6.320 1.00 0.00 C ATOM 410 O ALA A 26 -0.440 7.304 -5.971 1.00 0.00 O ATOM 411 CB ALA A 26 -3.442 8.361 -6.310 1.00 0.00 C ATOM 0 H ALA A 26 -3.023 6.833 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.190 9.428 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.450 9.168 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.319 8.444 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.460 7.401 -5.793 1.00 0.00 H new ATOM 417 N SER A 27 -0.365 9.564 -6.019 1.00 0.00 N ATOM 418 CA SER A 27 0.849 9.651 -5.224 1.00 0.00 C ATOM 419 C SER A 27 0.497 9.901 -3.756 1.00 0.00 C ATOM 420 O SER A 27 0.892 10.915 -3.183 1.00 0.00 O ATOM 421 CB SER A 27 1.770 10.756 -5.745 1.00 0.00 C ATOM 422 OG SER A 27 1.934 10.693 -7.159 1.00 0.00 O ATOM 0 H SER A 27 -0.749 10.463 -6.311 1.00 0.00 H new ATOM 0 HA SER A 27 1.381 8.703 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.361 11.728 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.744 10.673 -5.263 1.00 0.00 H new ATOM 0 HG SER A 27 2.527 11.416 -7.452 1.00 0.00 H new ATOM 428 N PHE A 28 -0.243 8.959 -3.190 1.00 0.00 N ATOM 429 CA PHE A 28 -0.653 9.065 -1.800 1.00 0.00 C ATOM 430 C PHE A 28 0.496 9.573 -0.926 1.00 0.00 C ATOM 431 O PHE A 28 1.650 9.573 -1.351 1.00 0.00 O ATOM 432 CB PHE A 28 -1.043 7.659 -1.341 1.00 0.00 C ATOM 433 CG PHE A 28 -2.458 7.241 -1.747 1.00 0.00 C ATOM 434 CD1 PHE A 28 -2.697 6.785 -3.006 1.00 0.00 C ATOM 435 CD2 PHE A 28 -3.477 7.328 -0.850 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.010 6.398 -3.383 1.00 0.00 C ATOM 437 CE2 PHE A 28 -4.790 6.941 -1.228 1.00 0.00 C ATOM 438 CZ PHE A 28 -5.029 6.484 -2.486 1.00 0.00 C ATOM 0 H PHE A 28 -0.569 8.119 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.481 9.768 -1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.332 6.943 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.957 7.605 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.888 6.717 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.288 7.691 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.200 6.035 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.599 7.010 -0.516 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.028 6.189 -2.773 1.00 0.00 H new ATOM 448 N VAL A 29 0.139 9.995 0.278 1.00 0.00 N ATOM 449 CA VAL A 29 1.126 10.504 1.215 1.00 0.00 C ATOM 450 C VAL A 29 1.398 11.979 0.910 1.00 0.00 C ATOM 451 O VAL A 29 1.353 12.820 1.806 1.00 0.00 O ATOM 452 CB VAL A 29 2.388 9.641 1.167 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.210 9.800 2.448 1.00 0.00 C ATOM 454 CG2 VAL A 29 2.039 8.173 0.918 1.00 0.00 C ATOM 0 H VAL A 29 -0.820 9.995 0.626 1.00 0.00 H new ATOM 0 HA VAL A 29 0.749 10.447 2.236 1.00 0.00 H new ATOM 0 HB VAL A 29 2.998 9.986 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.102 9.176 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.504 10.843 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.610 9.494 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.954 7.581 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.398 7.810 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.516 8.080 -0.034 1.00 0.00 H new ATOM 464 N GLU A 30 1.675 12.247 -0.358 1.00 0.00 N ATOM 465 CA GLU A 30 1.954 13.605 -0.792 1.00 0.00 C ATOM 466 C GLU A 30 0.732 14.200 -1.494 1.00 0.00 C ATOM 467 O GLU A 30 0.181 15.204 -1.044 1.00 0.00 O ATOM 468 CB GLU A 30 3.184 13.648 -1.701 1.00 0.00 C ATOM 469 CG GLU A 30 3.398 15.053 -2.267 1.00 0.00 C ATOM 470 CD GLU A 30 2.535 15.282 -3.510 1.00 0.00 C ATOM 471 OE1 GLU A 30 1.589 16.083 -3.468 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.876 14.593 -4.545 1.00 0.00 O ATOM 0 H GLU A 30 1.712 11.546 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 30 2.172 14.209 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.066 13.340 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.062 12.937 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.153 15.796 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.449 15.191 -2.520 1.00 0.00 H new ATOM 480 N ASP A 31 0.343 13.555 -2.584 1.00 0.00 N ATOM 481 CA ASP A 31 -0.804 14.008 -3.352 1.00 0.00 C ATOM 482 C ASP A 31 -2.067 13.882 -2.497 1.00 0.00 C ATOM 483 O ASP A 31 -2.448 14.823 -1.803 1.00 0.00 O ATOM 484 CB ASP A 31 -0.997 13.156 -4.608 1.00 0.00 C ATOM 485 CG ASP A 31 -0.383 13.738 -5.884 1.00 0.00 C ATOM 486 OD1 ASP A 31 0.846 13.791 -6.034 1.00 0.00 O ATOM 487 OD2 ASP A 31 -1.236 14.153 -6.758 1.00 0.00 O ATOM 0 H ASP A 31 0.802 12.722 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.628 15.044 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.565 12.171 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.065 13.011 -4.770 1.00 0.00 H new ATOM 493 N LEU A 32 -2.682 12.711 -2.576 1.00 0.00 N ATOM 494 CA LEU A 32 -3.894 12.449 -1.818 1.00 0.00 C ATOM 495 C LEU A 32 -3.735 13.007 -0.402 1.00 0.00 C ATOM 496 O LEU A 32 -4.054 14.167 -0.149 1.00 0.00 O ATOM 497 CB LEU A 32 -4.239 10.959 -1.857 1.00 0.00 C ATOM 498 CG LEU A 32 -5.376 10.559 -2.799 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.834 9.861 -4.048 1.00 0.00 C ATOM 500 CD2 LEU A 32 -6.416 9.705 -2.071 1.00 0.00 C ATOM 0 H LEU A 32 -2.364 11.933 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.744 12.961 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.344 10.406 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.500 10.640 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.880 11.467 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.663 9.587 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.162 10.535 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.290 8.963 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.213 9.434 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.942 8.800 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.834 10.272 -1.239 1.00 0.00 H new ATOM 512 N GLY A 33 -3.242 12.153 0.484 1.00 0.00 N ATOM 513 CA GLY A 33 -3.037 12.546 1.868 1.00 0.00 C ATOM 514 C GLY A 33 -2.843 11.321 2.762 1.00 0.00 C ATOM 515 O GLY A 33 -3.815 10.692 3.179 1.00 0.00 O ATOM 0 H GLY A 33 -2.979 11.191 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.164 13.195 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.893 13.123 2.217 1.00 0.00 H new ATOM 519 N ALA A 34 -1.582 11.018 3.031 1.00 0.00 N ATOM 520 CA ALA A 34 -1.248 9.878 3.869 1.00 0.00 C ATOM 521 C ALA A 34 0.080 10.145 4.580 1.00 0.00 C ATOM 522 O ALA A 34 1.112 9.593 4.202 1.00 0.00 O ATOM 523 CB ALA A 34 -1.207 8.610 3.014 1.00 0.00 C ATOM 0 H ALA A 34 -0.779 11.542 2.684 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.008 9.730 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.957 7.755 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.182 8.449 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.453 8.721 2.235 1.00 0.00 H new ATOM 529 N ASP A 35 0.012 10.993 5.596 1.00 0.00 N ATOM 530 CA ASP A 35 1.196 11.340 6.363 1.00 0.00 C ATOM 531 C ASP A 35 0.950 11.030 7.841 1.00 0.00 C ATOM 532 O ASP A 35 1.344 11.802 8.714 1.00 0.00 O ATOM 533 CB ASP A 35 1.515 12.831 6.239 1.00 0.00 C ATOM 534 CG ASP A 35 2.992 13.160 6.014 1.00 0.00 C ATOM 535 OD1 ASP A 35 3.792 12.287 5.644 1.00 0.00 O ATOM 536 OD2 ASP A 35 3.318 14.388 6.237 1.00 0.00 O ATOM 0 H ASP A 35 -0.846 11.450 5.906 1.00 0.00 H new ATOM 0 HA ASP A 35 2.032 10.759 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.936 13.243 5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.180 13.335 7.145 1.00 0.00 H new ATOM 542 N SER A 36 0.300 9.900 8.075 1.00 0.00 N ATOM 543 CA SER A 36 -0.003 9.479 9.433 1.00 0.00 C ATOM 544 C SER A 36 -0.227 7.966 9.474 1.00 0.00 C ATOM 545 O SER A 36 0.599 7.227 10.008 1.00 0.00 O ATOM 546 CB SER A 36 -1.232 10.212 9.975 1.00 0.00 C ATOM 547 OG SER A 36 -0.880 11.416 10.651 1.00 0.00 O ATOM 0 H SER A 36 -0.025 9.263 7.348 1.00 0.00 H new ATOM 0 HA SER A 36 0.847 9.732 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.909 10.443 9.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.773 9.557 10.658 1.00 0.00 H new ATOM 0 HG SER A 36 -0.114 11.831 10.202 1.00 0.00 H new ATOM 553 N LEU A 37 -1.347 7.550 8.902 1.00 0.00 N ATOM 554 CA LEU A 37 -1.690 6.138 8.867 1.00 0.00 C ATOM 555 C LEU A 37 -1.346 5.569 7.489 1.00 0.00 C ATOM 556 O LEU A 37 -2.038 4.683 6.989 1.00 0.00 O ATOM 557 CB LEU A 37 -3.151 5.931 9.270 1.00 0.00 C ATOM 558 CG LEU A 37 -3.716 6.932 10.281 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.877 7.724 9.676 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.115 6.232 11.581 1.00 0.00 C ATOM 0 H LEU A 37 -2.029 8.166 8.459 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.101 5.584 9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.764 5.968 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.254 4.928 9.685 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.932 7.648 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.261 8.428 10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.527 8.271 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.671 7.038 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.513 6.966 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.876 5.481 11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.240 5.750 12.018 1.00 0.00 H new ATOM 572 N ASP A 38 -0.277 6.101 6.914 1.00 0.00 N ATOM 573 CA ASP A 38 0.167 5.657 5.603 1.00 0.00 C ATOM 574 C ASP A 38 0.944 4.347 5.750 1.00 0.00 C ATOM 575 O ASP A 38 0.360 3.265 5.693 1.00 0.00 O ATOM 576 CB ASP A 38 1.095 6.688 4.958 1.00 0.00 C ATOM 577 CG ASP A 38 1.929 6.163 3.788 1.00 0.00 C ATOM 578 OD1 ASP A 38 3.117 6.493 3.651 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.304 5.372 2.983 1.00 0.00 O ATOM 0 H ASP A 38 0.295 6.835 7.332 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.714 5.523 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.494 7.528 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.770 7.075 5.721 1.00 0.00 H new ATOM 585 N THR A 39 2.248 4.487 5.935 1.00 0.00 N ATOM 586 CA THR A 39 3.111 3.329 6.090 1.00 0.00 C ATOM 587 C THR A 39 2.848 2.643 7.432 1.00 0.00 C ATOM 588 O THR A 39 2.588 1.442 7.480 1.00 0.00 O ATOM 589 CB THR A 39 4.559 3.791 5.917 1.00 0.00 C ATOM 590 OG1 THR A 39 5.323 2.596 6.051 1.00 0.00 O ATOM 591 CG2 THR A 39 5.035 4.670 7.075 1.00 0.00 C ATOM 0 H THR A 39 2.728 5.386 5.981 1.00 0.00 H new ATOM 0 HA THR A 39 2.902 2.576 5.330 1.00 0.00 H new ATOM 0 HB THR A 39 4.655 4.341 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.275 2.804 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.068 4.971 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.405 5.557 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.971 4.109 8.008 1.00 0.00 H new ATOM 599 N VAL A 40 2.925 3.437 8.490 1.00 0.00 N ATOM 600 CA VAL A 40 2.698 2.922 9.830 1.00 0.00 C ATOM 601 C VAL A 40 1.598 1.859 9.784 1.00 0.00 C ATOM 602 O VAL A 40 1.647 0.878 10.524 1.00 0.00 O ATOM 603 CB VAL A 40 2.378 4.073 10.786 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.863 3.545 12.126 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.596 4.977 10.983 1.00 0.00 C ATOM 0 H VAL A 40 3.141 4.433 8.447 1.00 0.00 H new ATOM 0 HA VAL A 40 3.599 2.441 10.212 1.00 0.00 H new ATOM 0 HB VAL A 40 1.586 4.672 10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.643 4.383 12.787 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.956 2.963 11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.623 2.912 12.584 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.341 5.787 11.667 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.418 4.395 11.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.898 5.395 10.023 1.00 0.00 H new ATOM 615 N GLU A 41 0.632 2.091 8.907 1.00 0.00 N ATOM 616 CA GLU A 41 -0.478 1.166 8.755 1.00 0.00 C ATOM 617 C GLU A 41 -0.223 0.219 7.581 1.00 0.00 C ATOM 618 O GLU A 41 -0.166 -0.997 7.760 1.00 0.00 O ATOM 619 CB GLU A 41 -1.798 1.918 8.576 1.00 0.00 C ATOM 620 CG GLU A 41 -2.579 1.976 9.891 1.00 0.00 C ATOM 621 CD GLU A 41 -1.720 2.563 11.013 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.716 1.953 11.410 1.00 0.00 O ATOM 623 OE2 GLU A 41 -2.128 3.697 11.475 1.00 0.00 O ATOM 0 H GLU A 41 0.595 2.906 8.295 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.557 0.572 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.599 2.930 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.400 1.426 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.475 2.582 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.909 0.974 10.167 1.00 0.00 H new ATOM 631 N LEU A 42 -0.075 0.812 6.405 1.00 0.00 N ATOM 632 CA LEU A 42 0.173 0.037 5.202 1.00 0.00 C ATOM 633 C LEU A 42 1.152 -1.094 5.522 1.00 0.00 C ATOM 634 O LEU A 42 0.926 -2.242 5.140 1.00 0.00 O ATOM 635 CB LEU A 42 0.637 0.948 4.063 1.00 0.00 C ATOM 636 CG LEU A 42 1.349 0.257 2.899 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.515 1.211 1.714 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.685 -0.337 3.348 1.00 0.00 C ATOM 0 H LEU A 42 -0.122 1.821 6.260 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.749 -0.428 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.232 1.476 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.307 1.701 4.477 1.00 0.00 H new ATOM 0 HG LEU A 42 0.726 -0.571 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.024 0.695 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.534 1.544 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.105 2.074 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.170 -0.822 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.327 0.458 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.511 -1.070 4.135 1.00 0.00 H new ATOM 650 N VAL A 43 2.219 -0.731 6.219 1.00 0.00 N ATOM 651 CA VAL A 43 3.233 -1.701 6.594 1.00 0.00 C ATOM 652 C VAL A 43 2.555 -2.943 7.176 1.00 0.00 C ATOM 653 O VAL A 43 2.623 -4.023 6.591 1.00 0.00 O ATOM 654 CB VAL A 43 4.237 -1.063 7.556 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.353 -2.046 7.916 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.812 0.229 6.971 1.00 0.00 C ATOM 0 H VAL A 43 2.403 0.222 6.534 1.00 0.00 H new ATOM 0 HA VAL A 43 3.799 -2.019 5.718 1.00 0.00 H new ATOM 0 HB VAL A 43 3.706 -0.808 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.053 -1.567 8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.923 -2.926 8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.880 -2.346 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.523 0.662 7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.320 0.009 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.004 0.937 6.789 1.00 0.00 H new ATOM 666 N MET A 44 1.915 -2.748 8.320 1.00 0.00 N ATOM 667 CA MET A 44 1.225 -3.839 8.987 1.00 0.00 C ATOM 668 C MET A 44 0.358 -4.623 8.000 1.00 0.00 C ATOM 669 O MET A 44 0.464 -5.845 7.910 1.00 0.00 O ATOM 670 CB MET A 44 0.346 -3.278 10.106 1.00 0.00 C ATOM 671 CG MET A 44 1.199 -2.667 11.219 1.00 0.00 C ATOM 672 SD MET A 44 2.062 -3.954 12.105 1.00 0.00 S ATOM 673 CE MET A 44 3.746 -3.401 11.893 1.00 0.00 C ATOM 0 H MET A 44 1.860 -1.851 8.802 1.00 0.00 H new ATOM 0 HA MET A 44 1.971 -4.516 9.404 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.326 -2.521 9.701 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.278 -4.072 10.516 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.915 -1.963 10.795 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.567 -2.103 11.905 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.423 -4.097 12.389 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.984 -3.359 10.830 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.861 -2.409 12.330 1.00 0.00 H new ATOM 683 N ALA A 45 -0.481 -3.888 7.285 1.00 0.00 N ATOM 684 CA ALA A 45 -1.367 -4.500 6.309 1.00 0.00 C ATOM 685 C ALA A 45 -0.535 -5.289 5.296 1.00 0.00 C ATOM 686 O ALA A 45 -0.560 -6.519 5.291 1.00 0.00 O ATOM 687 CB ALA A 45 -2.220 -3.417 5.644 1.00 0.00 C ATOM 0 H ALA A 45 -0.566 -2.874 7.362 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.048 -5.200 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.885 -3.876 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.813 -2.905 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.571 -2.698 5.144 1.00 0.00 H new ATOM 693 N LEU A 46 0.183 -4.550 4.463 1.00 0.00 N ATOM 694 CA LEU A 46 1.021 -5.165 3.448 1.00 0.00 C ATOM 695 C LEU A 46 1.880 -6.254 4.094 1.00 0.00 C ATOM 696 O LEU A 46 2.328 -7.179 3.418 1.00 0.00 O ATOM 697 CB LEU A 46 1.832 -4.101 2.706 1.00 0.00 C ATOM 698 CG LEU A 46 1.079 -3.311 1.634 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.007 -2.315 0.935 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.394 -4.251 0.640 1.00 0.00 C ATOM 0 H LEU A 46 0.202 -3.530 4.470 1.00 0.00 H new ATOM 0 HA LEU A 46 0.407 -5.651 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.226 -3.397 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.688 -4.586 2.237 1.00 0.00 H new ATOM 0 HG LEU A 46 0.295 -2.733 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.447 -1.766 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.408 -1.615 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.828 -2.853 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.134 -3.664 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.144 -4.874 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.316 -4.886 1.170 1.00 0.00 H new ATOM 712 N GLU A 47 2.084 -6.109 5.395 1.00 0.00 N ATOM 713 CA GLU A 47 2.881 -7.068 6.140 1.00 0.00 C ATOM 714 C GLU A 47 2.063 -8.329 6.426 1.00 0.00 C ATOM 715 O GLU A 47 2.514 -9.441 6.153 1.00 0.00 O ATOM 716 CB GLU A 47 3.410 -6.452 7.436 1.00 0.00 C ATOM 717 CG GLU A 47 4.690 -5.654 7.182 1.00 0.00 C ATOM 718 CD GLU A 47 5.870 -6.247 7.954 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.474 -7.231 7.503 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.153 -5.648 9.061 1.00 0.00 O ATOM 0 H GLU A 47 1.711 -5.341 5.953 1.00 0.00 H new ATOM 0 HA GLU A 47 3.741 -7.347 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.651 -5.800 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.607 -7.240 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.914 -5.650 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.541 -4.616 7.480 1.00 0.00 H new ATOM 728 N GLU A 48 0.875 -8.115 6.971 1.00 0.00 N ATOM 729 CA GLU A 48 -0.010 -9.221 7.297 1.00 0.00 C ATOM 730 C GLU A 48 -0.303 -10.052 6.046 1.00 0.00 C ATOM 731 O GLU A 48 -0.328 -11.280 6.105 1.00 0.00 O ATOM 732 CB GLU A 48 -1.305 -8.716 7.936 1.00 0.00 C ATOM 733 CG GLU A 48 -1.426 -9.199 9.383 1.00 0.00 C ATOM 734 CD GLU A 48 -2.363 -10.404 9.483 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.356 -10.479 8.744 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.030 -11.283 10.366 1.00 0.00 O ATOM 0 H GLU A 48 0.504 -7.192 7.195 1.00 0.00 H new ATOM 0 HA GLU A 48 0.490 -9.860 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.327 -7.627 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.161 -9.067 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.441 -9.468 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.800 -8.390 10.010 1.00 0.00 H new ATOM 744 N GLU A 49 -0.518 -9.348 4.944 1.00 0.00 N ATOM 745 CA GLU A 49 -0.809 -10.006 3.681 1.00 0.00 C ATOM 746 C GLU A 49 0.286 -11.022 3.348 1.00 0.00 C ATOM 747 O GLU A 49 0.009 -12.069 2.764 1.00 0.00 O ATOM 748 CB GLU A 49 -0.969 -8.983 2.555 1.00 0.00 C ATOM 749 CG GLU A 49 -1.648 -9.612 1.336 1.00 0.00 C ATOM 750 CD GLU A 49 -3.171 -9.583 1.481 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.771 -8.498 1.495 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.731 -10.740 1.579 1.00 0.00 O ATOM 0 H GLU A 49 -0.497 -8.329 4.899 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.754 -10.539 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.559 -8.137 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.009 -8.594 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.355 -9.075 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.310 -10.641 1.218 1.00 0.00 H new ATOM 760 N PHE A 50 1.506 -10.677 3.732 1.00 0.00 N ATOM 761 CA PHE A 50 2.643 -11.546 3.481 1.00 0.00 C ATOM 762 C PHE A 50 3.639 -11.495 4.641 1.00 0.00 C ATOM 763 O PHE A 50 3.612 -12.349 5.526 1.00 0.00 O ATOM 764 CB PHE A 50 3.328 -11.032 2.214 1.00 0.00 C ATOM 765 CG PHE A 50 2.877 -11.737 0.933 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.648 -11.480 0.411 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.706 -12.622 0.316 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.229 -12.135 -0.777 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.287 -13.277 -0.873 1.00 0.00 C ATOM 770 CZ PHE A 50 2.058 -13.019 -1.394 1.00 0.00 C ATOM 0 H PHE A 50 1.732 -9.808 4.215 1.00 0.00 H new ATOM 0 HA PHE A 50 2.306 -12.577 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.134 -9.964 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.406 -11.152 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.990 -10.777 0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.682 -12.827 0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.252 -11.931 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.945 -13.980 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.740 -13.516 -2.298 1.00 0.00 H new ATOM 780 N ASP A 51 4.495 -10.484 4.600 1.00 0.00 N ATOM 781 CA ASP A 51 5.497 -10.310 5.637 1.00 0.00 C ATOM 782 C ASP A 51 6.667 -9.497 5.078 1.00 0.00 C ATOM 783 O ASP A 51 7.628 -10.062 4.559 1.00 0.00 O ATOM 784 CB ASP A 51 6.042 -11.659 6.109 1.00 0.00 C ATOM 785 CG ASP A 51 7.440 -11.611 6.730 1.00 0.00 C ATOM 786 OD1 ASP A 51 8.436 -11.982 6.091 1.00 0.00 O ATOM 787 OD2 ASP A 51 7.484 -11.165 7.939 1.00 0.00 O ATOM 0 H ASP A 51 4.515 -9.777 3.865 1.00 0.00 H new ATOM 0 HA ASP A 51 5.028 -9.797 6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.350 -12.077 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.061 -12.343 5.261 1.00 0.00 H new ATOM 793 N THR A 52 6.546 -8.183 5.203 1.00 0.00 N ATOM 794 CA THR A 52 7.581 -7.287 4.717 1.00 0.00 C ATOM 795 C THR A 52 7.461 -5.919 5.391 1.00 0.00 C ATOM 796 O THR A 52 6.682 -5.074 4.953 1.00 0.00 O ATOM 797 CB THR A 52 7.475 -7.225 3.192 1.00 0.00 C ATOM 798 OG1 THR A 52 8.585 -6.423 2.799 1.00 0.00 O ATOM 799 CG2 THR A 52 6.255 -6.430 2.722 1.00 0.00 C ATOM 0 H THR A 52 5.747 -7.718 5.634 1.00 0.00 H new ATOM 0 HA THR A 52 8.575 -7.654 4.973 1.00 0.00 H new ATOM 0 HB THR A 52 7.425 -8.237 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.327 -5.478 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.227 -6.417 1.632 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.347 -6.898 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.321 -5.408 3.096 1.00 0.00 H new ATOM 807 N GLU A 53 8.245 -5.742 6.444 1.00 0.00 N ATOM 808 CA GLU A 53 8.237 -4.491 7.182 1.00 0.00 C ATOM 809 C GLU A 53 8.726 -3.346 6.292 1.00 0.00 C ATOM 810 O GLU A 53 9.858 -2.886 6.433 1.00 0.00 O ATOM 811 CB GLU A 53 9.083 -4.597 8.452 1.00 0.00 C ATOM 812 CG GLU A 53 10.420 -5.283 8.165 1.00 0.00 C ATOM 813 CD GLU A 53 11.556 -4.618 8.945 1.00 0.00 C ATOM 814 OE1 GLU A 53 11.403 -4.336 10.143 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.628 -4.396 8.264 1.00 0.00 O ATOM 0 H GLU A 53 8.891 -6.445 6.804 1.00 0.00 H new ATOM 0 HA GLU A 53 7.212 -4.278 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.261 -3.602 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.538 -5.158 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.357 -6.337 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.633 -5.240 7.097 1.00 0.00 H new ATOM 823 N ILE A 54 7.849 -2.920 5.395 1.00 0.00 N ATOM 824 CA ILE A 54 8.177 -1.838 4.483 1.00 0.00 C ATOM 825 C ILE A 54 8.691 -0.640 5.283 1.00 0.00 C ATOM 826 O ILE A 54 7.917 0.040 5.956 1.00 0.00 O ATOM 827 CB ILE A 54 6.981 -1.512 3.586 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.193 -0.188 2.849 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.677 -1.519 4.387 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.637 -0.059 2.359 1.00 0.00 C ATOM 0 H ILE A 54 6.911 -3.305 5.280 1.00 0.00 H new ATOM 0 HA ILE A 54 8.979 -2.138 3.809 1.00 0.00 H new ATOM 0 HB ILE A 54 6.899 -2.292 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.511 -0.126 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.954 0.644 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.843 -1.284 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.525 -2.505 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.733 -0.773 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.761 0.891 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.315 -0.097 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.865 -0.879 1.677 1.00 0.00 H new ATOM 842 N PRO A 55 10.028 -0.411 5.181 1.00 0.00 N ATOM 843 CA PRO A 55 10.654 0.694 5.887 1.00 0.00 C ATOM 844 C PRO A 55 10.338 2.028 5.208 1.00 0.00 C ATOM 845 O PRO A 55 10.235 2.097 3.984 1.00 0.00 O ATOM 846 CB PRO A 55 12.138 0.367 5.892 1.00 0.00 C ATOM 847 CG PRO A 55 12.342 -0.664 4.794 1.00 0.00 C ATOM 848 CD PRO A 55 10.975 -1.194 4.393 1.00 0.00 C ATOM 0 HA PRO A 55 10.281 0.808 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.735 1.260 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.448 -0.027 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.844 -0.215 3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.978 -1.476 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.800 -1.069 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.884 -2.259 4.608 1.00 0.00 H new ATOM 856 N ASP A 56 10.194 3.056 6.032 1.00 0.00 N ATOM 857 CA ASP A 56 9.892 4.384 5.526 1.00 0.00 C ATOM 858 C ASP A 56 10.794 4.685 4.327 1.00 0.00 C ATOM 859 O ASP A 56 10.312 5.085 3.269 1.00 0.00 O ATOM 860 CB ASP A 56 10.150 5.451 6.592 1.00 0.00 C ATOM 861 CG ASP A 56 11.480 5.312 7.337 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.796 4.247 7.886 1.00 0.00 O ATOM 863 OD2 ASP A 56 12.216 6.372 7.340 1.00 0.00 O ATOM 0 H ASP A 56 10.281 2.996 7.046 1.00 0.00 H new ATOM 0 HA ASP A 56 8.840 4.406 5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.117 6.432 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.338 5.421 7.319 1.00 0.00 H new ATOM 869 N GLU A 57 12.087 4.483 4.534 1.00 0.00 N ATOM 870 CA GLU A 57 13.060 4.728 3.483 1.00 0.00 C ATOM 871 C GLU A 57 12.534 4.213 2.142 1.00 0.00 C ATOM 872 O GLU A 57 12.743 4.842 1.106 1.00 0.00 O ATOM 873 CB GLU A 57 14.408 4.090 3.825 1.00 0.00 C ATOM 874 CG GLU A 57 15.133 4.889 4.910 1.00 0.00 C ATOM 875 CD GLU A 57 16.469 5.428 4.393 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.486 6.293 3.505 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.515 4.918 4.950 1.00 0.00 O ATOM 0 H GLU A 57 12.483 4.153 5.414 1.00 0.00 H new ATOM 0 HA GLU A 57 13.215 5.804 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.254 3.066 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.028 4.039 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.505 5.717 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.305 4.255 5.780 1.00 0.00 H new ATOM 885 N GLU A 58 11.861 3.073 2.205 1.00 0.00 N ATOM 886 CA GLU A 58 11.304 2.466 1.008 1.00 0.00 C ATOM 887 C GLU A 58 9.827 2.839 0.862 1.00 0.00 C ATOM 888 O GLU A 58 9.278 2.798 -0.238 1.00 0.00 O ATOM 889 CB GLU A 58 11.486 0.947 1.027 1.00 0.00 C ATOM 890 CG GLU A 58 12.519 0.505 -0.011 1.00 0.00 C ATOM 891 CD GLU A 58 13.437 -0.579 0.556 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.963 -1.500 1.236 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.687 -0.441 0.266 1.00 0.00 O ATOM 0 H GLU A 58 11.689 2.554 3.066 1.00 0.00 H new ATOM 0 HA GLU A 58 11.844 2.853 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.803 0.628 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.532 0.460 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.010 0.128 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.114 1.363 -0.325 1.00 0.00 H new ATOM 901 N ALA A 59 9.226 3.196 1.988 1.00 0.00 N ATOM 902 CA ALA A 59 7.823 3.576 1.999 1.00 0.00 C ATOM 903 C ALA A 59 7.641 4.858 1.185 1.00 0.00 C ATOM 904 O ALA A 59 6.536 5.161 0.736 1.00 0.00 O ATOM 905 CB ALA A 59 7.348 3.731 3.445 1.00 0.00 C ATOM 0 H ALA A 59 9.685 3.230 2.898 1.00 0.00 H new ATOM 0 HA ALA A 59 7.211 2.802 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.296 4.016 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.472 2.785 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.937 4.503 3.941 1.00 0.00 H new ATOM 911 N GLU A 60 8.741 5.577 1.018 1.00 0.00 N ATOM 912 CA GLU A 60 8.716 6.820 0.265 1.00 0.00 C ATOM 913 C GLU A 60 8.697 6.531 -1.237 1.00 0.00 C ATOM 914 O GLU A 60 7.924 7.134 -1.979 1.00 0.00 O ATOM 915 CB GLU A 60 9.903 7.710 0.637 1.00 0.00 C ATOM 916 CG GLU A 60 9.593 9.182 0.359 1.00 0.00 C ATOM 917 CD GLU A 60 10.811 10.063 0.646 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.974 10.546 1.776 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.605 10.238 -0.355 1.00 0.00 O ATOM 0 H GLU A 60 9.656 5.323 1.391 1.00 0.00 H new ATOM 0 HA GLU A 60 7.805 7.360 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.144 7.578 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.782 7.406 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.289 9.303 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.754 9.503 0.976 1.00 0.00 H new ATOM 927 N LYS A 61 9.557 5.607 -1.640 1.00 0.00 N ATOM 928 CA LYS A 61 9.648 5.230 -3.040 1.00 0.00 C ATOM 929 C LYS A 61 8.296 4.689 -3.508 1.00 0.00 C ATOM 930 O LYS A 61 8.049 4.578 -4.708 1.00 0.00 O ATOM 931 CB LYS A 61 10.809 4.257 -3.259 1.00 0.00 C ATOM 932 CG LYS A 61 11.948 4.926 -4.031 1.00 0.00 C ATOM 933 CD LYS A 61 11.613 5.031 -5.520 1.00 0.00 C ATOM 934 CE LYS A 61 12.439 6.130 -6.191 1.00 0.00 C ATOM 935 NZ LYS A 61 11.903 6.433 -7.537 1.00 0.00 N ATOM 0 H LYS A 61 10.197 5.109 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 61 9.873 6.102 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.177 3.902 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.457 3.383 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.132 5.921 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.866 4.353 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.807 4.076 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.551 5.243 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.425 7.030 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.479 5.814 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.475 7.181 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.939 5.577 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.918 6.755 -7.454 1.00 0.00 H new ATOM 948 N ILE A 62 7.455 4.367 -2.536 1.00 0.00 N ATOM 949 CA ILE A 62 6.134 3.840 -2.833 1.00 0.00 C ATOM 950 C ILE A 62 5.079 4.886 -2.468 1.00 0.00 C ATOM 951 O ILE A 62 3.963 4.539 -2.083 1.00 0.00 O ATOM 952 CB ILE A 62 5.927 2.491 -2.142 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.986 2.640 -0.620 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.927 1.452 -2.655 1.00 0.00 C ATOM 955 CD1 ILE A 62 5.994 1.271 0.065 1.00 0.00 C ATOM 0 H ILE A 62 7.663 4.461 -1.542 1.00 0.00 H new ATOM 0 HA ILE A 62 6.033 3.644 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 62 4.930 2.129 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.881 3.196 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.130 3.219 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.758 0.502 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.794 1.318 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.942 1.794 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.036 1.405 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.087 0.727 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.865 0.704 -0.265 1.00 0.00 H new ATOM 967 N THR A 63 5.469 6.145 -2.603 1.00 0.00 N ATOM 968 CA THR A 63 4.570 7.244 -2.292 1.00 0.00 C ATOM 969 C THR A 63 3.161 6.943 -2.808 1.00 0.00 C ATOM 970 O THR A 63 2.176 7.423 -2.249 1.00 0.00 O ATOM 971 CB THR A 63 5.170 8.525 -2.875 1.00 0.00 C ATOM 972 OG1 THR A 63 4.078 9.439 -2.902 1.00 0.00 O ATOM 973 CG2 THR A 63 5.562 8.370 -4.346 1.00 0.00 C ATOM 0 H THR A 63 6.395 6.429 -2.923 1.00 0.00 H new ATOM 0 HA THR A 63 4.466 7.377 -1.215 1.00 0.00 H new ATOM 0 HB THR A 63 6.046 8.813 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.496 9.277 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.982 9.307 -4.711 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.304 7.577 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.679 8.115 -4.933 1.00 0.00 H new ATOM 981 N THR A 64 3.111 6.150 -3.868 1.00 0.00 N ATOM 982 CA THR A 64 1.839 5.780 -4.465 1.00 0.00 C ATOM 983 C THR A 64 1.323 4.475 -3.855 1.00 0.00 C ATOM 984 O THR A 64 1.724 4.099 -2.755 1.00 0.00 O ATOM 985 CB THR A 64 2.032 5.707 -5.981 1.00 0.00 C ATOM 986 OG1 THR A 64 2.993 4.670 -6.160 1.00 0.00 O ATOM 987 CG2 THR A 64 2.720 6.952 -6.545 1.00 0.00 C ATOM 0 H THR A 64 3.930 5.754 -4.329 1.00 0.00 H new ATOM 0 HA THR A 64 1.072 6.526 -4.256 1.00 0.00 H new ATOM 0 HB THR A 64 1.063 5.577 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.176 4.555 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.832 6.848 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.116 7.832 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.703 7.064 -6.087 1.00 0.00 H new ATOM 995 N VAL A 65 0.442 3.820 -4.597 1.00 0.00 N ATOM 996 CA VAL A 65 -0.132 2.565 -4.143 1.00 0.00 C ATOM 997 C VAL A 65 0.435 1.416 -4.979 1.00 0.00 C ATOM 998 O VAL A 65 0.843 0.391 -4.436 1.00 0.00 O ATOM 999 CB VAL A 65 -1.660 2.641 -4.191 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.286 1.277 -3.896 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.186 3.706 -3.226 1.00 0.00 C ATOM 0 H VAL A 65 0.112 4.135 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 65 0.139 2.375 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.950 2.931 -5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.372 1.359 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.949 0.554 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.984 0.945 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.274 3.740 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.880 3.459 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.779 4.679 -3.501 1.00 0.00 H new ATOM 1011 N GLN A 66 0.444 1.628 -6.287 1.00 0.00 N ATOM 1012 CA GLN A 66 0.955 0.623 -7.204 1.00 0.00 C ATOM 1013 C GLN A 66 2.298 0.084 -6.707 1.00 0.00 C ATOM 1014 O GLN A 66 2.469 -1.124 -6.555 1.00 0.00 O ATOM 1015 CB GLN A 66 1.081 1.187 -8.621 1.00 0.00 C ATOM 1016 CG GLN A 66 1.701 0.157 -9.568 1.00 0.00 C ATOM 1017 CD GLN A 66 1.248 -1.260 -9.209 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.024 -2.097 -8.778 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -0.048 -1.481 -9.411 1.00 0.00 N ATOM 0 H GLN A 66 0.106 2.480 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 66 0.245 -0.203 -7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.097 1.479 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.695 2.087 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.416 0.384 -10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.788 0.219 -9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.642 -0.736 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.448 -2.396 -9.202 1.00 0.00 H new ATOM 1028 N ALA A 67 3.217 1.008 -6.466 1.00 0.00 N ATOM 1029 CA ALA A 67 4.540 0.641 -5.989 1.00 0.00 C ATOM 1030 C ALA A 67 4.403 -0.367 -4.846 1.00 0.00 C ATOM 1031 O ALA A 67 5.057 -1.409 -4.852 1.00 0.00 O ATOM 1032 CB ALA A 67 5.298 1.901 -5.567 1.00 0.00 C ATOM 0 H ALA A 67 3.072 2.010 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 67 5.116 0.164 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.290 1.626 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.393 2.572 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.751 2.404 -4.770 1.00 0.00 H new ATOM 1038 N ALA A 68 3.550 -0.022 -3.894 1.00 0.00 N ATOM 1039 CA ALA A 68 3.319 -0.884 -2.747 1.00 0.00 C ATOM 1040 C ALA A 68 3.133 -2.325 -3.227 1.00 0.00 C ATOM 1041 O ALA A 68 3.434 -3.269 -2.498 1.00 0.00 O ATOM 1042 CB ALA A 68 2.113 -0.371 -1.957 1.00 0.00 C ATOM 0 H ALA A 68 3.010 0.843 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 68 4.178 -0.869 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.940 -1.018 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.308 0.645 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.231 -0.374 -2.597 1.00 0.00 H new ATOM 1048 N ILE A 69 2.638 -2.448 -4.449 1.00 0.00 N ATOM 1049 CA ILE A 69 2.408 -3.758 -5.035 1.00 0.00 C ATOM 1050 C ILE A 69 3.694 -4.246 -5.704 1.00 0.00 C ATOM 1051 O ILE A 69 4.221 -5.299 -5.350 1.00 0.00 O ATOM 1052 CB ILE A 69 1.202 -3.720 -5.975 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.032 -3.163 -5.262 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.938 -5.099 -6.584 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.862 -2.289 -6.205 1.00 0.00 C ATOM 0 H ILE A 69 2.390 -1.662 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 69 2.157 -4.483 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 69 1.432 -3.043 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.643 -3.985 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.277 -2.578 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.076 -5.044 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.812 -5.420 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.738 -5.816 -5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.733 -1.906 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.255 -1.455 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.190 -2.883 -7.058 1.00 0.00 H new ATOM 1067 N ASP A 70 4.163 -3.456 -6.659 1.00 0.00 N ATOM 1068 CA ASP A 70 5.378 -3.794 -7.381 1.00 0.00 C ATOM 1069 C ASP A 70 6.476 -4.157 -6.380 1.00 0.00 C ATOM 1070 O ASP A 70 7.376 -4.934 -6.695 1.00 0.00 O ATOM 1071 CB ASP A 70 5.870 -2.610 -8.215 1.00 0.00 C ATOM 1072 CG ASP A 70 4.931 -2.179 -9.343 1.00 0.00 C ATOM 1073 OD1 ASP A 70 4.227 -3.007 -9.940 1.00 0.00 O ATOM 1074 OD2 ASP A 70 4.939 -0.916 -9.607 1.00 0.00 O ATOM 0 H ASP A 70 3.723 -2.583 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 70 5.156 -4.632 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.031 -1.760 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.838 -2.866 -8.646 1.00 0.00 H new ATOM 1080 N TYR A 71 6.367 -3.576 -5.194 1.00 0.00 N ATOM 1081 CA TYR A 71 7.340 -3.828 -4.145 1.00 0.00 C ATOM 1082 C TYR A 71 7.034 -5.138 -3.416 1.00 0.00 C ATOM 1083 O TYR A 71 7.947 -5.865 -3.027 1.00 0.00 O ATOM 1084 CB TYR A 71 7.207 -2.666 -3.158 1.00 0.00 C ATOM 1085 CG TYR A 71 7.564 -3.030 -1.716 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.873 -3.311 -1.378 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.578 -3.079 -0.752 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.209 -3.653 -0.021 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.913 -3.422 0.606 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.212 -3.692 0.904 1.00 0.00 C ATOM 1091 OH TYR A 71 8.530 -4.017 2.186 1.00 0.00 O ATOM 0 H TYR A 71 5.620 -2.931 -4.937 1.00 0.00 H new ATOM 0 HA TYR A 71 8.343 -3.908 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.850 -1.849 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.182 -2.295 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.645 -3.274 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.554 -2.860 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.229 -3.874 0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.151 -3.464 1.370 1.00 0.00 H new ATOM 0 HH TYR A 71 9.446 -3.726 2.380 1.00 0.00 H new ATOM 1101 N ILE A 72 5.745 -5.399 -3.252 1.00 0.00 N ATOM 1102 CA ILE A 72 5.307 -6.609 -2.577 1.00 0.00 C ATOM 1103 C ILE A 72 5.538 -7.812 -3.494 1.00 0.00 C ATOM 1104 O ILE A 72 5.614 -8.947 -3.027 1.00 0.00 O ATOM 1105 CB ILE A 72 3.859 -6.464 -2.105 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.784 -5.666 -0.802 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.184 -7.831 -1.979 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.898 -6.588 0.414 1.00 0.00 C ATOM 0 H ILE A 72 4.990 -4.793 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 72 5.897 -6.778 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 72 3.309 -5.901 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.584 -4.926 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.842 -5.118 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.156 -7.699 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.187 -8.329 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.727 -8.440 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.842 -5.995 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.082 -7.311 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.851 -7.116 0.382 1.00 0.00 H new ATOM 1120 N ASN A 73 5.641 -7.522 -4.782 1.00 0.00 N ATOM 1121 CA ASN A 73 5.862 -8.566 -5.769 1.00 0.00 C ATOM 1122 C ASN A 73 7.360 -8.857 -5.871 1.00 0.00 C ATOM 1123 O ASN A 73 7.758 -9.970 -6.210 1.00 0.00 O ATOM 1124 CB ASN A 73 5.369 -8.131 -7.150 1.00 0.00 C ATOM 1125 CG ASN A 73 3.938 -8.612 -7.399 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.692 -9.755 -7.749 1.00 0.00 O ATOM 1127 ND2 ASN A 73 3.011 -7.680 -7.199 1.00 0.00 N ATOM 0 H ASN A 73 5.576 -6.579 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 73 5.311 -9.452 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.410 -7.045 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.030 -8.532 -7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.025 -7.903 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.285 -6.742 -6.906 1.00 0.00 H new ATOM 1134 N GLY A 74 8.150 -7.836 -5.573 1.00 0.00 N ATOM 1135 CA GLY A 74 9.596 -7.969 -5.627 1.00 0.00 C ATOM 1136 C GLY A 74 10.119 -8.764 -4.429 1.00 0.00 C ATOM 1137 O GLY A 74 11.320 -9.006 -4.317 1.00 0.00 O ATOM 0 H GLY A 74 7.816 -6.914 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.885 -8.467 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.055 -6.981 -5.641 1.00 0.00 H new ATOM 1141 N HIS A 75 9.192 -9.150 -3.565 1.00 0.00 N ATOM 1142 CA HIS A 75 9.545 -9.913 -2.380 1.00 0.00 C ATOM 1143 C HIS A 75 8.658 -11.157 -2.288 1.00 0.00 C ATOM 1144 O HIS A 75 8.249 -11.552 -1.198 1.00 0.00 O ATOM 1145 CB HIS A 75 9.470 -9.038 -1.128 1.00 0.00 C ATOM 1146 CG HIS A 75 10.801 -8.472 -0.693 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.950 -7.177 -0.228 1.00 0.00 N ATOM 1148 CD2 HIS A 75 12.041 -9.039 -0.658 1.00 0.00 C ATOM 1149 CE1 HIS A 75 12.226 -6.984 0.070 1.00 0.00 C ATOM 1150 NE2 HIS A 75 12.901 -8.138 -0.197 1.00 0.00 N ATOM 0 H HIS A 75 8.197 -8.949 -3.662 1.00 0.00 H new ATOM 0 HA HIS A 75 10.579 -10.251 -2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.780 -8.215 -1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.052 -9.626 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.282 -10.049 -0.955 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.656 -6.072 0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.902 -8.285 -0.065 1.00 0.00 H new ATOM 1158 N GLN A 76 8.387 -11.738 -3.447 1.00 0.00 N ATOM 1159 CA GLN A 76 7.556 -12.928 -3.512 1.00 0.00 C ATOM 1160 C GLN A 76 8.353 -14.156 -3.065 1.00 0.00 C ATOM 1161 O GLN A 76 8.655 -15.032 -3.875 1.00 0.00 O ATOM 1162 CB GLN A 76 6.988 -13.125 -4.918 1.00 0.00 C ATOM 1163 CG GLN A 76 5.953 -12.047 -5.247 1.00 0.00 C ATOM 1164 CD GLN A 76 4.624 -12.329 -4.543 1.00 0.00 C ATOM 1165 OE1 GLN A 76 3.907 -13.263 -4.865 1.00 0.00 O ATOM 1166 NE2 GLN A 76 4.337 -11.474 -3.566 1.00 0.00 N ATOM 0 H GLN A 76 8.728 -11.407 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 76 6.714 -12.797 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.796 -13.093 -5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.529 -14.111 -4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.330 -11.071 -4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.796 -12.006 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.981 -10.714 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.473 -11.578 -3.035 1.00 0.00 H new ATOM 1175 N ALA A 77 8.670 -14.181 -1.779 1.00 0.00 N ATOM 1176 CA ALA A 77 9.426 -15.287 -1.216 1.00 0.00 C ATOM 1177 C ALA A 77 8.457 -16.301 -0.604 1.00 0.00 C ATOM 1178 O ALA A 77 7.884 -16.055 0.456 1.00 0.00 O ATOM 1179 CB ALA A 77 10.431 -14.751 -0.195 1.00 0.00 C ATOM 0 H ALA A 77 8.417 -13.453 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 77 9.993 -15.800 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.998 -15.581 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.114 -14.057 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.898 -14.233 0.602 1.00 0.00 H new TER 1185 ALA A 77