USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -61:sc= 0.23 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -39:sc= -1.02 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 28 SER OG : rot -77:sc= 0.241 USER MOD Single : A 30 THR OG1 : rot 63:sc= 0.801 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= 0.0155 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -3.44 K(o=-3.4,f=-4.3!) USER MOD Single : A 41 LYS NZ :NH3+ -119:sc= 0.456 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.5!) USER MOD Single : A 49 GLN : amide:sc= -6.22! C(o=-6.2!,f=-4.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.625 K(o=-0.63,f=-1.6) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= -0.698 (180deg=-1.26) USER MOD Single : A 73 SER OG : rot 12:sc= 0.415 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.3! X(o=-3.3!,f=-3.7) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-1) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.979 26.875 -5.141 1.00 73.45 N ATOM 2 CA GLY A 1 -18.015 25.809 -4.941 1.00 52.32 C ATOM 3 C GLY A 1 -16.666 26.123 -5.558 1.00 14.00 C ATOM 4 O GLY A 1 -16.377 25.708 -6.680 1.00 31.04 O ATOM 0 H1 GLY A 1 -19.884 26.612 -4.701 1.00 73.45 H new ATOM 0 H2 GLY A 1 -18.624 27.750 -4.706 1.00 73.45 H new ATOM 0 H3 GLY A 1 -19.121 27.028 -6.160 1.00 73.45 H new ATOM 0 HA2 GLY A 1 -17.890 25.632 -3.873 1.00 52.32 H new ATOM 0 HA3 GLY A 1 -18.403 24.887 -5.373 1.00 52.32 H new ATOM 8 N SER A 2 -15.840 26.861 -4.825 1.00 72.33 N ATOM 9 CA SER A 2 -14.517 27.236 -5.308 1.00 70.23 C ATOM 10 C SER A 2 -13.432 26.416 -4.616 1.00 63.41 C ATOM 11 O SER A 2 -12.593 26.957 -3.894 1.00 3.23 O ATOM 12 CB SER A 2 -14.270 28.728 -5.076 1.00 23.10 C ATOM 13 OG SER A 2 -12.993 29.114 -5.554 1.00 61.32 O ATOM 0 H SER A 2 -16.064 27.211 -3.894 1.00 72.33 H new ATOM 0 HA SER A 2 -14.477 27.030 -6.378 1.00 70.23 H new ATOM 0 HB2 SER A 2 -15.042 29.310 -5.580 1.00 23.10 H new ATOM 0 HB3 SER A 2 -14.346 28.951 -4.012 1.00 23.10 H new ATOM 0 HG SER A 2 -12.299 28.621 -5.068 1.00 61.32 H new ATOM 18 N LEU A 3 -13.456 25.107 -4.840 1.00 2.41 N ATOM 19 CA LEU A 3 -12.475 24.210 -4.239 1.00 45.32 C ATOM 20 C LEU A 3 -11.214 24.130 -5.094 1.00 64.03 C ATOM 21 O LEU A 3 -11.244 24.414 -6.291 1.00 11.53 O ATOM 22 CB LEU A 3 -13.073 22.813 -4.062 1.00 32.15 C ATOM 23 CG LEU A 3 -13.585 22.136 -5.334 1.00 61.50 C ATOM 24 CD1 LEU A 3 -12.492 21.287 -5.963 1.00 11.23 C ATOM 25 CD2 LEU A 3 -14.812 21.289 -5.029 1.00 53.40 C ATOM 0 H LEU A 3 -14.144 24.643 -5.433 1.00 2.41 H new ATOM 0 HA LEU A 3 -12.205 24.610 -3.262 1.00 45.32 H new ATOM 0 HB2 LEU A 3 -12.317 22.170 -3.612 1.00 32.15 H new ATOM 0 HB3 LEU A 3 -13.898 22.880 -3.353 1.00 32.15 H new ATOM 0 HG LEU A 3 -13.870 22.910 -6.046 1.00 61.50 H new ATOM 0 HD11 LEU A 3 -12.874 20.813 -6.867 1.00 11.23 H new ATOM 0 HD12 LEU A 3 -11.641 21.919 -6.217 1.00 11.23 H new ATOM 0 HD13 LEU A 3 -12.176 20.519 -5.257 1.00 11.23 H new ATOM 0 HD21 LEU A 3 -15.163 20.814 -5.945 1.00 53.40 H new ATOM 0 HD22 LEU A 3 -14.552 20.522 -4.299 1.00 53.40 H new ATOM 0 HD23 LEU A 3 -15.600 21.923 -4.624 1.00 53.40 H new ATOM 36 N VAL A 4 -10.107 23.740 -4.470 1.00 3.01 N ATOM 37 CA VAL A 4 -8.835 23.620 -5.174 1.00 52.22 C ATOM 38 C VAL A 4 -8.802 22.363 -6.036 1.00 51.42 C ATOM 39 O VAL A 4 -9.165 21.270 -5.600 1.00 74.45 O ATOM 40 CB VAL A 4 -7.651 23.585 -4.191 1.00 25.33 C ATOM 41 CG1 VAL A 4 -7.801 22.431 -3.213 1.00 3.31 C ATOM 42 CG2 VAL A 4 -6.334 23.488 -4.946 1.00 4.52 C ATOM 0 H VAL A 4 -10.065 23.502 -3.479 1.00 3.01 H new ATOM 0 HA VAL A 4 -8.742 24.499 -5.812 1.00 52.22 H new ATOM 0 HB VAL A 4 -7.649 24.514 -3.620 1.00 25.33 H new ATOM 0 HG11 VAL A 4 -6.954 22.423 -2.527 1.00 3.31 H new ATOM 0 HG12 VAL A 4 -8.725 22.551 -2.648 1.00 3.31 H new ATOM 0 HG13 VAL A 4 -7.831 21.490 -3.762 1.00 3.31 H new ATOM 0 HG21 VAL A 4 -5.508 23.464 -4.235 1.00 4.52 H new ATOM 0 HG22 VAL A 4 -6.324 22.577 -5.544 1.00 4.52 H new ATOM 0 HG23 VAL A 4 -6.225 24.353 -5.600 1.00 4.52 H new ATOM 52 N PRO A 5 -8.354 22.518 -7.291 1.00 10.32 N ATOM 53 CA PRO A 5 -8.261 21.405 -8.242 1.00 33.04 C ATOM 54 C PRO A 5 -7.164 20.414 -7.869 1.00 62.22 C ATOM 55 O PRO A 5 -6.576 20.502 -6.791 1.00 72.21 O ATOM 56 CB PRO A 5 -7.930 22.097 -9.566 1.00 44.01 C ATOM 57 CG PRO A 5 -7.262 23.370 -9.172 1.00 10.44 C ATOM 58 CD PRO A 5 -7.905 23.791 -7.879 1.00 44.13 C ATOM 0 HA PRO A 5 -9.177 20.816 -8.271 1.00 33.04 H new ATOM 0 HB2 PRO A 5 -7.275 21.481 -10.182 1.00 44.01 H new ATOM 0 HB3 PRO A 5 -8.831 22.287 -10.150 1.00 44.01 H new ATOM 0 HG2 PRO A 5 -6.189 23.225 -9.045 1.00 10.44 H new ATOM 0 HG3 PRO A 5 -7.392 24.133 -9.939 1.00 10.44 H new ATOM 0 HD2 PRO A 5 -7.199 24.307 -7.229 1.00 44.13 H new ATOM 0 HD3 PRO A 5 -8.739 24.472 -8.048 1.00 44.13 H new ATOM 63 N ARG A 6 -6.893 19.474 -8.767 1.00 44.43 N ATOM 64 CA ARG A 6 -5.865 18.465 -8.532 1.00 33.33 C ATOM 65 C ARG A 6 -4.542 19.118 -8.142 1.00 30.42 C ATOM 66 O ARG A 6 -4.304 20.287 -8.442 1.00 25.40 O ATOM 67 CB ARG A 6 -5.673 17.602 -9.779 1.00 1.13 C ATOM 68 CG ARG A 6 -5.192 18.382 -10.992 1.00 22.13 C ATOM 69 CD ARG A 6 -6.352 18.797 -11.883 1.00 24.31 C ATOM 70 NE ARG A 6 -5.920 19.076 -13.249 1.00 2.24 N ATOM 71 CZ ARG A 6 -6.688 19.671 -14.156 1.00 4.24 C ATOM 72 NH1 ARG A 6 -7.919 20.049 -13.842 1.00 62.34 N ATOM 73 NH2 ARG A 6 -6.223 19.891 -15.380 1.00 73.03 N ATOM 0 H ARG A 6 -7.370 19.389 -9.664 1.00 44.43 H new ATOM 0 HA ARG A 6 -6.194 17.832 -7.708 1.00 33.33 H new ATOM 0 HB2 ARG A 6 -4.955 16.813 -9.557 1.00 1.13 H new ATOM 0 HB3 ARG A 6 -6.617 17.115 -10.022 1.00 1.13 H new ATOM 0 HG2 ARG A 6 -4.649 19.268 -10.664 1.00 22.13 H new ATOM 0 HG3 ARG A 6 -4.492 17.772 -11.564 1.00 22.13 H new ATOM 0 HD2 ARG A 6 -7.101 18.006 -11.894 1.00 24.31 H new ATOM 0 HD3 ARG A 6 -6.830 19.683 -11.466 1.00 24.31 H new ATOM 0 HE ARG A 6 -4.977 18.799 -13.522 1.00 2.24 H new ATOM 0 HH11 ARG A 6 -8.279 19.883 -12.902 1.00 62.34 H new ATOM 0 HH12 ARG A 6 -8.506 20.505 -14.540 1.00 62.34 H new ATOM 0 HH21 ARG A 6 -5.276 19.603 -15.625 1.00 73.03 H new ATOM 0 HH22 ARG A 6 -6.813 20.348 -16.075 1.00 73.03 H new ATOM 84 N GLY A 7 -3.686 18.353 -7.472 1.00 61.42 N ATOM 85 CA GLY A 7 -2.397 18.874 -7.052 1.00 34.24 C ATOM 86 C GLY A 7 -1.333 18.717 -8.119 1.00 72.40 C ATOM 87 O GLY A 7 -1.483 19.217 -9.234 1.00 24.22 O ATOM 0 H GLY A 7 -3.861 17.382 -7.212 1.00 61.42 H new ATOM 0 HA2 GLY A 7 -2.500 19.929 -6.799 1.00 34.24 H new ATOM 0 HA3 GLY A 7 -2.078 18.358 -6.146 1.00 34.24 H new ATOM 91 N SER A 8 -0.253 18.022 -7.776 1.00 3.43 N ATOM 92 CA SER A 8 0.844 17.805 -8.712 1.00 2.33 C ATOM 93 C SER A 8 0.854 16.364 -9.213 1.00 11.01 C ATOM 94 O SER A 8 1.045 16.110 -10.402 1.00 62.44 O ATOM 95 CB SER A 8 2.183 18.135 -8.048 1.00 34.42 C ATOM 96 OG SER A 8 2.242 19.500 -7.671 1.00 74.22 O ATOM 0 H SER A 8 -0.114 17.600 -6.858 1.00 3.43 H new ATOM 0 HA SER A 8 0.697 18.467 -9.565 1.00 2.33 H new ATOM 0 HB2 SER A 8 2.322 17.505 -7.169 1.00 34.42 H new ATOM 0 HB3 SER A 8 2.999 17.908 -8.735 1.00 34.42 H new ATOM 0 HG SER A 8 3.106 19.685 -7.248 1.00 74.22 H new ATOM 101 N MET A 9 0.648 15.424 -8.296 1.00 12.30 N ATOM 102 CA MET A 9 0.631 14.008 -8.644 1.00 4.30 C ATOM 103 C MET A 9 -0.782 13.441 -8.548 1.00 63.33 C ATOM 104 O MET A 9 -1.481 13.660 -7.560 1.00 61.51 O ATOM 105 CB MET A 9 1.571 13.225 -7.726 1.00 4.21 C ATOM 106 CG MET A 9 2.747 14.044 -7.218 1.00 34.41 C ATOM 107 SD MET A 9 3.775 14.685 -8.553 1.00 64.23 S ATOM 108 CE MET A 9 4.948 15.676 -7.630 1.00 45.25 C ATOM 0 H MET A 9 0.491 15.617 -7.307 1.00 12.30 H new ATOM 0 HA MET A 9 0.974 13.908 -9.674 1.00 4.30 H new ATOM 0 HB2 MET A 9 1.004 12.851 -6.873 1.00 4.21 H new ATOM 0 HB3 MET A 9 1.950 12.356 -8.264 1.00 4.21 H new ATOM 0 HG2 MET A 9 2.374 14.876 -6.620 1.00 34.41 H new ATOM 0 HG3 MET A 9 3.357 13.426 -6.559 1.00 34.41 H new ATOM 0 HE1 MET A 9 5.654 16.140 -8.319 1.00 45.25 H new ATOM 0 HE2 MET A 9 4.415 16.451 -7.079 1.00 45.25 H new ATOM 0 HE3 MET A 9 5.490 15.040 -6.930 1.00 45.25 H new ATOM 116 N GLN A 10 -1.193 12.712 -9.580 1.00 52.20 N ATOM 117 CA GLN A 10 -2.523 12.114 -9.610 1.00 55.21 C ATOM 118 C GLN A 10 -2.447 10.634 -9.969 1.00 62.43 C ATOM 119 O GLN A 10 -1.598 10.220 -10.759 1.00 62.24 O ATOM 120 CB GLN A 10 -3.412 12.849 -10.614 1.00 1.13 C ATOM 121 CG GLN A 10 -3.527 14.342 -10.347 1.00 53.42 C ATOM 122 CD GLN A 10 -3.658 15.154 -11.620 1.00 4.43 C ATOM 123 OE1 GLN A 10 -4.678 15.094 -12.307 1.00 14.31 O ATOM 124 NE2 GLN A 10 -2.623 15.920 -11.944 1.00 70.13 N ATOM 0 H GLN A 10 -0.625 12.521 -10.406 1.00 52.20 H new ATOM 0 HA GLN A 10 -2.958 12.205 -8.615 1.00 55.21 H new ATOM 0 HB2 GLN A 10 -3.014 12.697 -11.618 1.00 1.13 H new ATOM 0 HB3 GLN A 10 -4.408 12.407 -10.596 1.00 1.13 H new ATOM 0 HG2 GLN A 10 -4.393 14.528 -9.711 1.00 53.42 H new ATOM 0 HG3 GLN A 10 -2.649 14.677 -9.795 1.00 53.42 H new ATOM 0 HE21 GLN A 10 -1.797 15.940 -11.346 1.00 70.13 H new ATOM 0 HE22 GLN A 10 -2.654 16.488 -12.791 1.00 70.13 H new ATOM 131 N ILE A 11 -3.338 9.841 -9.383 1.00 35.25 N ATOM 132 CA ILE A 11 -3.371 8.408 -9.642 1.00 55.01 C ATOM 133 C ILE A 11 -4.795 7.866 -9.554 1.00 51.33 C ATOM 134 O ILE A 11 -5.717 8.576 -9.153 1.00 60.01 O ATOM 135 CB ILE A 11 -2.479 7.636 -8.652 1.00 2.32 C ATOM 136 CG1 ILE A 11 -1.759 6.491 -9.368 1.00 40.52 C ATOM 137 CG2 ILE A 11 -3.309 7.105 -7.493 1.00 24.13 C ATOM 138 CD1 ILE A 11 -0.738 5.785 -8.503 1.00 41.13 C ATOM 0 H ILE A 11 -4.046 10.167 -8.726 1.00 35.25 H new ATOM 0 HA ILE A 11 -2.990 8.261 -10.653 1.00 55.01 H new ATOM 0 HB ILE A 11 -1.729 8.319 -8.252 1.00 2.32 H new ATOM 0 HG12 ILE A 11 -2.497 5.766 -9.710 1.00 40.52 H new ATOM 0 HG13 ILE A 11 -1.262 6.883 -10.256 1.00 40.52 H new ATOM 0 HG21 ILE A 11 -2.664 6.562 -6.802 1.00 24.13 H new ATOM 0 HG22 ILE A 11 -3.780 7.938 -6.971 1.00 24.13 H new ATOM 0 HG23 ILE A 11 -4.079 6.434 -7.874 1.00 24.13 H new ATOM 0 HD11 ILE A 11 -0.267 4.985 -9.075 1.00 41.13 H new ATOM 0 HD12 ILE A 11 0.022 6.498 -8.182 1.00 41.13 H new ATOM 0 HD13 ILE A 11 -1.232 5.363 -7.628 1.00 41.13 H new ATOM 149 N PHE A 12 -4.966 6.603 -9.930 1.00 43.32 N ATOM 150 CA PHE A 12 -6.276 5.964 -9.892 1.00 3.05 C ATOM 151 C PHE A 12 -6.368 4.977 -8.733 1.00 4.11 C ATOM 152 O PHE A 12 -5.568 4.047 -8.631 1.00 11.42 O ATOM 153 CB PHE A 12 -6.555 5.245 -11.214 1.00 44.22 C ATOM 154 CG PHE A 12 -7.608 5.913 -12.051 1.00 24.11 C ATOM 155 CD1 PHE A 12 -7.459 7.231 -12.452 1.00 30.12 C ATOM 156 CD2 PHE A 12 -8.746 5.224 -12.436 1.00 70.33 C ATOM 157 CE1 PHE A 12 -8.426 7.849 -13.222 1.00 53.34 C ATOM 158 CE2 PHE A 12 -9.716 5.836 -13.206 1.00 20.03 C ATOM 159 CZ PHE A 12 -9.557 7.151 -13.599 1.00 75.42 C ATOM 0 H PHE A 12 -4.213 6.002 -10.265 1.00 43.32 H new ATOM 0 HA PHE A 12 -7.026 6.741 -9.743 1.00 3.05 H new ATOM 0 HB2 PHE A 12 -5.630 5.186 -11.788 1.00 44.22 H new ATOM 0 HB3 PHE A 12 -6.866 4.222 -11.003 1.00 44.22 H new ATOM 0 HD1 PHE A 12 -6.577 7.782 -12.159 1.00 30.12 H new ATOM 0 HD2 PHE A 12 -8.877 4.196 -12.131 1.00 70.33 H new ATOM 0 HE1 PHE A 12 -8.298 8.877 -13.529 1.00 53.34 H new ATOM 0 HE2 PHE A 12 -10.598 5.287 -13.501 1.00 20.03 H new ATOM 0 HZ PHE A 12 -10.315 7.632 -14.199 1.00 75.42 H new ATOM 168 N VAL A 13 -7.348 5.187 -7.861 1.00 41.24 N ATOM 169 CA VAL A 13 -7.546 4.316 -6.709 1.00 44.24 C ATOM 170 C VAL A 13 -9.007 3.902 -6.576 1.00 21.53 C ATOM 171 O VAL A 13 -9.908 4.740 -6.627 1.00 4.10 O ATOM 172 CB VAL A 13 -7.097 5.000 -5.404 1.00 65.54 C ATOM 173 CG1 VAL A 13 -7.209 4.038 -4.231 1.00 65.53 C ATOM 174 CG2 VAL A 13 -5.675 5.525 -5.540 1.00 34.04 C ATOM 0 H VAL A 13 -8.018 5.953 -7.930 1.00 41.24 H new ATOM 0 HA VAL A 13 -6.934 3.429 -6.875 1.00 44.24 H new ATOM 0 HB VAL A 13 -7.756 5.847 -5.212 1.00 65.54 H new ATOM 0 HG11 VAL A 13 -6.888 4.539 -3.318 1.00 65.53 H new ATOM 0 HG12 VAL A 13 -8.244 3.715 -4.123 1.00 65.53 H new ATOM 0 HG13 VAL A 13 -6.575 3.170 -4.411 1.00 65.53 H new ATOM 0 HG21 VAL A 13 -5.374 6.005 -4.609 1.00 34.04 H new ATOM 0 HG22 VAL A 13 -5.000 4.697 -5.756 1.00 34.04 H new ATOM 0 HG23 VAL A 13 -5.631 6.250 -6.353 1.00 34.04 H new ATOM 184 N LYS A 14 -9.236 2.604 -6.406 1.00 64.30 N ATOM 185 CA LYS A 14 -10.588 2.078 -6.263 1.00 1.34 C ATOM 186 C LYS A 14 -10.762 1.383 -4.917 1.00 34.12 C ATOM 187 O LYS A 14 -10.071 0.410 -4.614 1.00 75.41 O ATOM 188 CB LYS A 14 -10.898 1.099 -7.399 1.00 62.21 C ATOM 189 CG LYS A 14 -11.118 1.775 -8.741 1.00 42.41 C ATOM 190 CD LYS A 14 -12.559 2.223 -8.911 1.00 15.01 C ATOM 191 CE LYS A 14 -12.746 3.026 -10.189 1.00 34.02 C ATOM 192 NZ LYS A 14 -13.131 2.161 -11.338 1.00 70.02 N ATOM 0 H LYS A 14 -8.502 1.897 -6.364 1.00 64.30 H new ATOM 0 HA LYS A 14 -11.284 2.915 -6.312 1.00 1.34 H new ATOM 0 HB2 LYS A 14 -10.076 0.389 -7.490 1.00 62.21 H new ATOM 0 HB3 LYS A 14 -11.788 0.525 -7.140 1.00 62.21 H new ATOM 0 HG2 LYS A 14 -10.456 2.636 -8.828 1.00 42.41 H new ATOM 0 HG3 LYS A 14 -10.853 1.087 -9.544 1.00 42.41 H new ATOM 0 HD2 LYS A 14 -13.213 1.351 -8.929 1.00 15.01 H new ATOM 0 HD3 LYS A 14 -12.857 2.827 -8.054 1.00 15.01 H new ATOM 0 HE2 LYS A 14 -13.514 3.784 -10.032 1.00 34.02 H new ATOM 0 HE3 LYS A 14 -11.821 3.553 -10.425 1.00 34.02 H new ATOM 0 HZ1 LYS A 14 -13.249 2.747 -12.189 1.00 70.02 H new ATOM 0 HZ2 LYS A 14 -12.387 1.454 -11.505 1.00 70.02 H new ATOM 0 HZ3 LYS A 14 -14.027 1.678 -11.124 1.00 70.02 H new ATOM 202 N THR A 15 -11.692 1.888 -4.111 1.00 34.14 N ATOM 203 CA THR A 15 -11.958 1.316 -2.798 1.00 52.43 C ATOM 204 C THR A 15 -12.763 0.027 -2.912 1.00 72.00 C ATOM 205 O THR A 15 -13.106 -0.408 -4.012 1.00 1.31 O ATOM 206 CB THR A 15 -12.721 2.306 -1.898 1.00 63.42 C ATOM 207 OG1 THR A 15 -14.049 2.498 -2.396 1.00 61.42 O ATOM 208 CG2 THR A 15 -12.000 3.645 -1.833 1.00 42.24 C ATOM 0 H THR A 15 -12.273 2.693 -4.346 1.00 34.14 H new ATOM 0 HA THR A 15 -10.990 1.098 -2.347 1.00 52.43 H new ATOM 0 HB THR A 15 -12.768 1.887 -0.893 1.00 63.42 H new ATOM 0 HG1 THR A 15 -14.030 2.530 -3.375 1.00 61.42 H new ATOM 0 HG21 THR A 15 -12.558 4.328 -1.192 1.00 42.24 H new ATOM 0 HG22 THR A 15 -10.999 3.500 -1.426 1.00 42.24 H new ATOM 0 HG23 THR A 15 -11.926 4.067 -2.835 1.00 42.24 H new ATOM 216 N LEU A 16 -13.063 -0.581 -1.770 1.00 21.22 N ATOM 217 CA LEU A 16 -13.830 -1.822 -1.741 1.00 4.22 C ATOM 218 C LEU A 16 -15.314 -1.550 -1.966 1.00 3.42 C ATOM 219 O LEU A 16 -16.057 -2.425 -2.414 1.00 61.21 O ATOM 220 CB LEU A 16 -13.628 -2.539 -0.406 1.00 72.23 C ATOM 221 CG LEU A 16 -13.787 -1.679 0.848 1.00 74.43 C ATOM 222 CD1 LEU A 16 -15.009 -2.114 1.642 1.00 60.51 C ATOM 223 CD2 LEU A 16 -12.535 -1.756 1.710 1.00 23.32 C ATOM 0 H LEU A 16 -12.787 -0.235 -0.851 1.00 21.22 H new ATOM 0 HA LEU A 16 -13.470 -2.461 -2.547 1.00 4.22 H new ATOM 0 HB2 LEU A 16 -14.338 -3.364 -0.349 1.00 72.23 H new ATOM 0 HB3 LEU A 16 -12.629 -2.976 -0.398 1.00 72.23 H new ATOM 0 HG LEU A 16 -13.929 -0.643 0.539 1.00 74.43 H new ATOM 0 HD11 LEU A 16 -15.106 -1.491 2.531 1.00 60.51 H new ATOM 0 HD12 LEU A 16 -15.901 -2.007 1.025 1.00 60.51 H new ATOM 0 HD13 LEU A 16 -14.897 -3.156 1.940 1.00 60.51 H new ATOM 0 HD21 LEU A 16 -12.666 -1.138 2.598 1.00 23.32 H new ATOM 0 HD22 LEU A 16 -12.363 -2.790 2.010 1.00 23.32 H new ATOM 0 HD23 LEU A 16 -11.678 -1.396 1.140 1.00 23.32 H new ATOM 234 N THR A 17 -15.741 -0.330 -1.655 1.00 31.13 N ATOM 235 CA THR A 17 -17.135 0.058 -1.825 1.00 72.35 C ATOM 236 C THR A 17 -17.378 0.649 -3.209 1.00 75.02 C ATOM 237 O THR A 17 -18.465 0.515 -3.769 1.00 43.21 O ATOM 238 CB THR A 17 -17.566 1.084 -0.758 1.00 14.13 C ATOM 239 OG1 THR A 17 -18.991 1.227 -0.764 1.00 53.42 O ATOM 240 CG2 THR A 17 -16.915 2.434 -1.012 1.00 44.12 C ATOM 0 H THR A 17 -15.141 0.406 -1.284 1.00 31.13 H new ATOM 0 HA THR A 17 -17.731 -0.848 -1.711 1.00 72.35 H new ATOM 0 HB THR A 17 -17.242 0.720 0.217 1.00 14.13 H new ATOM 0 HG1 THR A 17 -19.257 1.879 -0.083 1.00 53.42 H new ATOM 0 HG21 THR A 17 -17.234 3.142 -0.247 1.00 44.12 H new ATOM 0 HG22 THR A 17 -15.831 2.327 -0.978 1.00 44.12 H new ATOM 0 HG23 THR A 17 -17.213 2.803 -1.994 1.00 44.12 H new ATOM 248 N GLY A 18 -16.357 1.302 -3.755 1.00 21.04 N ATOM 249 CA GLY A 18 -16.480 1.903 -5.071 1.00 75.44 C ATOM 250 C GLY A 18 -16.018 3.346 -5.094 1.00 3.52 C ATOM 251 O GLY A 18 -15.932 3.962 -6.158 1.00 50.23 O ATOM 0 H GLY A 18 -15.447 1.426 -3.310 1.00 21.04 H new ATOM 0 HA2 GLY A 18 -15.895 1.326 -5.787 1.00 75.44 H new ATOM 0 HA3 GLY A 18 -17.520 1.852 -5.395 1.00 75.44 H new ATOM 255 N LYS A 19 -15.720 3.890 -3.919 1.00 44.24 N ATOM 256 CA LYS A 19 -15.263 5.270 -3.808 1.00 14.21 C ATOM 257 C LYS A 19 -13.927 5.460 -4.519 1.00 24.14 C ATOM 258 O LYS A 19 -13.116 4.537 -4.597 1.00 10.34 O ATOM 259 CB LYS A 19 -15.130 5.668 -2.336 1.00 62.33 C ATOM 260 CG LYS A 19 -15.771 7.005 -2.007 1.00 74.14 C ATOM 261 CD LYS A 19 -17.278 6.963 -2.199 1.00 3.22 C ATOM 262 CE LYS A 19 -17.998 6.632 -0.901 1.00 41.24 C ATOM 263 NZ LYS A 19 -19.385 7.171 -0.882 1.00 24.42 N ATOM 0 H LYS A 19 -15.787 3.396 -3.029 1.00 44.24 H new ATOM 0 HA LYS A 19 -16.004 5.911 -4.286 1.00 14.21 H new ATOM 0 HB2 LYS A 19 -15.584 4.895 -1.717 1.00 62.33 H new ATOM 0 HB3 LYS A 19 -14.073 5.707 -2.073 1.00 62.33 H new ATOM 0 HG2 LYS A 19 -15.542 7.276 -0.976 1.00 74.14 H new ATOM 0 HG3 LYS A 19 -15.344 7.781 -2.643 1.00 74.14 H new ATOM 0 HD2 LYS A 19 -17.625 7.926 -2.573 1.00 3.22 H new ATOM 0 HD3 LYS A 19 -17.529 6.219 -2.955 1.00 3.22 H new ATOM 0 HE2 LYS A 19 -18.027 5.551 -0.768 1.00 41.24 H new ATOM 0 HE3 LYS A 19 -17.438 7.042 -0.061 1.00 41.24 H new ATOM 0 HZ1 LYS A 19 -19.841 6.924 0.019 1.00 24.42 H new ATOM 0 HZ2 LYS A 19 -19.357 8.206 -0.984 1.00 24.42 H new ATOM 0 HZ3 LYS A 19 -19.928 6.761 -1.669 1.00 24.42 H new ATOM 273 N THR A 20 -13.703 6.664 -5.036 1.00 34.55 N ATOM 274 CA THR A 20 -12.466 6.976 -5.740 1.00 4.14 C ATOM 275 C THR A 20 -11.710 8.105 -5.050 1.00 41.12 C ATOM 276 O THR A 20 -12.285 9.145 -4.729 1.00 75.31 O ATOM 277 CB THR A 20 -12.737 7.375 -7.203 1.00 13.22 C ATOM 278 OG1 THR A 20 -14.118 7.718 -7.370 1.00 62.14 O ATOM 279 CG2 THR A 20 -12.374 6.241 -8.150 1.00 24.00 C ATOM 0 H THR A 20 -14.363 7.440 -4.980 1.00 34.55 H new ATOM 0 HA THR A 20 -11.858 6.072 -5.724 1.00 4.14 H new ATOM 0 HB THR A 20 -12.117 8.239 -7.441 1.00 13.22 H new ATOM 0 HG1 THR A 20 -14.282 7.972 -8.302 1.00 62.14 H new ATOM 0 HG21 THR A 20 -12.574 6.546 -9.177 1.00 24.00 H new ATOM 0 HG22 THR A 20 -11.316 6.001 -8.042 1.00 24.00 H new ATOM 0 HG23 THR A 20 -12.971 5.361 -7.910 1.00 24.00 H new ATOM 287 N ILE A 21 -10.417 7.894 -4.825 1.00 2.32 N ATOM 288 CA ILE A 21 -9.582 8.896 -4.175 1.00 63.42 C ATOM 289 C ILE A 21 -8.275 9.101 -4.934 1.00 14.53 C ATOM 290 O ILE A 21 -7.623 8.138 -5.340 1.00 42.22 O ATOM 291 CB ILE A 21 -9.261 8.503 -2.721 1.00 34.51 C ATOM 292 CG1 ILE A 21 -8.765 7.058 -2.658 1.00 52.43 C ATOM 293 CG2 ILE A 21 -10.488 8.686 -1.840 1.00 70.34 C ATOM 294 CD1 ILE A 21 -9.878 6.041 -2.535 1.00 74.33 C ATOM 0 H ILE A 21 -9.926 7.038 -5.083 1.00 2.32 H new ATOM 0 HA ILE A 21 -10.149 9.827 -4.176 1.00 63.42 H new ATOM 0 HB ILE A 21 -8.470 9.155 -2.350 1.00 34.51 H new ATOM 0 HG12 ILE A 21 -8.185 6.842 -3.555 1.00 52.43 H new ATOM 0 HG13 ILE A 21 -8.091 6.951 -1.808 1.00 52.43 H new ATOM 0 HG21 ILE A 21 -10.246 8.404 -0.815 1.00 70.34 H new ATOM 0 HG22 ILE A 21 -10.801 9.730 -1.865 1.00 70.34 H new ATOM 0 HG23 ILE A 21 -11.297 8.055 -2.208 1.00 70.34 H new ATOM 0 HD11 ILE A 21 -9.452 5.038 -2.496 1.00 74.33 H new ATOM 0 HD12 ILE A 21 -10.445 6.230 -1.623 1.00 74.33 H new ATOM 0 HD13 ILE A 21 -10.540 6.120 -3.397 1.00 74.33 H new ATOM 305 N THR A 22 -7.897 10.361 -5.123 1.00 62.23 N ATOM 306 CA THR A 22 -6.668 10.692 -5.832 1.00 11.24 C ATOM 307 C THR A 22 -5.453 10.551 -4.923 1.00 72.31 C ATOM 308 O THR A 22 -5.436 11.072 -3.807 1.00 61.41 O ATOM 309 CB THR A 22 -6.712 12.127 -6.393 1.00 74.22 C ATOM 310 OG1 THR A 22 -8.059 12.482 -6.723 1.00 5.45 O ATOM 311 CG2 THR A 22 -5.831 12.253 -7.626 1.00 63.25 C ATOM 0 H THR A 22 -8.425 11.170 -4.795 1.00 62.23 H new ATOM 0 HA THR A 22 -6.582 9.988 -6.660 1.00 11.24 H new ATOM 0 HB THR A 22 -6.336 12.805 -5.627 1.00 74.22 H new ATOM 0 HG1 THR A 22 -8.079 13.396 -7.077 1.00 5.45 H new ATOM 0 HG21 THR A 22 -5.878 13.274 -8.004 1.00 63.25 H new ATOM 0 HG22 THR A 22 -4.801 12.010 -7.364 1.00 63.25 H new ATOM 0 HG23 THR A 22 -6.181 11.565 -8.395 1.00 63.25 H new ATOM 319 N LEU A 23 -4.437 9.846 -5.406 1.00 52.43 N ATOM 320 CA LEU A 23 -3.216 9.636 -4.637 1.00 64.00 C ATOM 321 C LEU A 23 -1.989 10.073 -5.432 1.00 55.44 C ATOM 322 O LEU A 23 -2.040 10.185 -6.657 1.00 51.12 O ATOM 323 CB LEU A 23 -3.084 8.165 -4.241 1.00 1.51 C ATOM 324 CG LEU A 23 -3.633 7.787 -2.865 1.00 34.14 C ATOM 325 CD1 LEU A 23 -5.075 7.315 -2.977 1.00 42.21 C ATOM 326 CD2 LEU A 23 -2.767 6.716 -2.220 1.00 32.02 C ATOM 0 H LEU A 23 -4.434 9.409 -6.328 1.00 52.43 H new ATOM 0 HA LEU A 23 -3.277 10.244 -3.734 1.00 64.00 H new ATOM 0 HB2 LEU A 23 -3.593 7.561 -4.992 1.00 1.51 H new ATOM 0 HB3 LEU A 23 -2.029 7.894 -4.276 1.00 1.51 H new ATOM 0 HG LEU A 23 -3.611 8.673 -2.230 1.00 34.14 H new ATOM 0 HD11 LEU A 23 -5.449 7.050 -1.988 1.00 42.21 H new ATOM 0 HD12 LEU A 23 -5.688 8.114 -3.395 1.00 42.21 H new ATOM 0 HD13 LEU A 23 -5.123 6.442 -3.628 1.00 42.21 H new ATOM 0 HD21 LEU A 23 -3.173 6.460 -1.242 1.00 32.02 H new ATOM 0 HD22 LEU A 23 -2.756 5.828 -2.852 1.00 32.02 H new ATOM 0 HD23 LEU A 23 -1.750 7.091 -2.104 1.00 32.02 H new ATOM 337 N GLU A 24 -0.888 10.314 -4.727 1.00 12.12 N ATOM 338 CA GLU A 24 0.351 10.736 -5.369 1.00 4.22 C ATOM 339 C GLU A 24 1.182 9.529 -5.796 1.00 11.33 C ATOM 340 O GLU A 24 1.143 8.478 -5.157 1.00 50.34 O ATOM 341 CB GLU A 24 1.167 11.620 -4.423 1.00 73.11 C ATOM 342 CG GLU A 24 2.648 11.668 -4.759 1.00 53.34 C ATOM 343 CD GLU A 24 3.345 12.869 -4.151 1.00 11.25 C ATOM 344 OE1 GLU A 24 2.661 13.684 -3.497 1.00 53.44 O ATOM 345 OE2 GLU A 24 4.574 12.995 -4.330 1.00 65.33 O ATOM 0 H GLU A 24 -0.829 10.224 -3.713 1.00 12.12 H new ATOM 0 HA GLU A 24 0.091 11.310 -6.258 1.00 4.22 H new ATOM 0 HB2 GLU A 24 0.765 12.633 -4.448 1.00 73.11 H new ATOM 0 HB3 GLU A 24 1.046 11.254 -3.403 1.00 73.11 H new ATOM 0 HG2 GLU A 24 3.127 10.756 -4.403 1.00 53.34 H new ATOM 0 HG3 GLU A 24 2.771 11.691 -5.842 1.00 53.34 H new ATOM 350 N VAL A 25 1.932 9.687 -6.883 1.00 33.34 N ATOM 351 CA VAL A 25 2.771 8.612 -7.396 1.00 61.14 C ATOM 352 C VAL A 25 4.209 9.081 -7.586 1.00 73.33 C ATOM 353 O VAL A 25 4.455 10.233 -7.942 1.00 60.33 O ATOM 354 CB VAL A 25 2.237 8.074 -8.737 1.00 72.30 C ATOM 355 CG1 VAL A 25 2.340 6.557 -8.783 1.00 63.44 C ATOM 356 CG2 VAL A 25 0.802 8.526 -8.958 1.00 25.23 C ATOM 0 H VAL A 25 1.975 10.550 -7.425 1.00 33.34 H new ATOM 0 HA VAL A 25 2.747 7.811 -6.657 1.00 61.14 H new ATOM 0 HB VAL A 25 2.850 8.480 -9.542 1.00 72.30 H new ATOM 0 HG11 VAL A 25 1.958 6.195 -9.738 1.00 63.44 H new ATOM 0 HG12 VAL A 25 3.383 6.260 -8.673 1.00 63.44 H new ATOM 0 HG13 VAL A 25 1.753 6.128 -7.971 1.00 63.44 H new ATOM 0 HG21 VAL A 25 0.441 8.137 -9.910 1.00 25.23 H new ATOM 0 HG22 VAL A 25 0.174 8.150 -8.150 1.00 25.23 H new ATOM 0 HG23 VAL A 25 0.762 9.615 -8.972 1.00 25.23 H new ATOM 366 N GLU A 26 5.157 8.179 -7.345 1.00 33.33 N ATOM 367 CA GLU A 26 6.571 8.501 -7.489 1.00 31.30 C ATOM 368 C GLU A 26 7.443 7.306 -7.115 1.00 32.21 C ATOM 369 O GLU A 26 7.118 6.526 -6.218 1.00 5.11 O ATOM 370 CB GLU A 26 6.934 9.705 -6.617 1.00 42.42 C ATOM 371 CG GLU A 26 7.315 10.942 -7.414 1.00 51.03 C ATOM 372 CD GLU A 26 8.715 11.431 -7.097 1.00 32.30 C ATOM 373 OE1 GLU A 26 9.624 10.585 -6.959 1.00 35.11 O ATOM 374 OE2 GLU A 26 8.902 12.661 -6.987 1.00 31.34 O ATOM 0 H GLU A 26 4.970 7.221 -7.049 1.00 33.33 H new ATOM 0 HA GLU A 26 6.756 8.750 -8.534 1.00 31.30 H new ATOM 0 HB2 GLU A 26 6.088 9.945 -5.973 1.00 42.42 H new ATOM 0 HB3 GLU A 26 7.764 9.433 -5.965 1.00 42.42 H new ATOM 0 HG2 GLU A 26 7.244 10.720 -8.479 1.00 51.03 H new ATOM 0 HG3 GLU A 26 6.600 11.738 -7.206 1.00 51.03 H new ATOM 379 N PRO A 27 8.576 7.157 -7.816 1.00 20.51 N ATOM 380 CA PRO A 27 9.518 6.061 -7.576 1.00 61.15 C ATOM 381 C PRO A 27 10.246 6.202 -6.243 1.00 5.04 C ATOM 382 O PRO A 27 10.647 5.210 -5.635 1.00 14.04 O ATOM 383 CB PRO A 27 10.504 6.179 -8.739 1.00 44.12 C ATOM 384 CG PRO A 27 10.442 7.611 -9.145 1.00 62.32 C ATOM 385 CD PRO A 27 9.026 8.050 -8.897 1.00 10.43 C ATOM 0 HA PRO A 27 9.014 5.096 -7.523 1.00 61.15 H new ATOM 0 HB2 PRO A 27 11.512 5.897 -8.434 1.00 44.12 H new ATOM 0 HB3 PRO A 27 10.225 5.522 -9.563 1.00 44.12 H new ATOM 0 HG2 PRO A 27 11.144 8.212 -8.566 1.00 62.32 H new ATOM 0 HG3 PRO A 27 10.710 7.731 -10.195 1.00 62.32 H new ATOM 0 HD2 PRO A 27 8.976 9.097 -8.600 1.00 10.43 H new ATOM 0 HD3 PRO A 27 8.410 7.942 -9.790 1.00 10.43 H new ATOM 390 N SER A 28 10.413 7.443 -5.795 1.00 14.32 N ATOM 391 CA SER A 28 11.096 7.715 -4.535 1.00 1.33 C ATOM 392 C SER A 28 10.090 7.943 -3.411 1.00 45.34 C ATOM 393 O SER A 28 10.448 7.932 -2.232 1.00 21.25 O ATOM 394 CB SER A 28 12.005 8.938 -4.678 1.00 14.30 C ATOM 395 OG SER A 28 11.301 10.133 -4.390 1.00 0.52 O ATOM 0 H SER A 28 10.085 8.275 -6.285 1.00 14.32 H new ATOM 0 HA SER A 28 11.704 6.846 -4.284 1.00 1.33 H new ATOM 0 HB2 SER A 28 12.857 8.843 -4.004 1.00 14.30 H new ATOM 0 HB3 SER A 28 12.404 8.982 -5.692 1.00 14.30 H new ATOM 0 HG SER A 28 10.732 10.369 -5.152 1.00 0.52 H new ATOM 400 N ASP A 29 8.833 8.149 -3.783 1.00 55.23 N ATOM 401 CA ASP A 29 7.774 8.377 -2.807 1.00 22.44 C ATOM 402 C ASP A 29 7.062 7.074 -2.460 1.00 51.12 C ATOM 403 O ASP A 29 6.300 6.536 -3.264 1.00 3.10 O ATOM 404 CB ASP A 29 6.767 9.395 -3.344 1.00 12.12 C ATOM 405 CG ASP A 29 7.418 10.710 -3.725 1.00 75.34 C ATOM 406 OD1 ASP A 29 8.597 10.914 -3.364 1.00 31.44 O ATOM 407 OD2 ASP A 29 6.750 11.535 -4.382 1.00 52.12 O ATOM 0 H ASP A 29 8.521 8.163 -4.754 1.00 55.23 H new ATOM 0 HA ASP A 29 8.231 8.772 -1.900 1.00 22.44 H new ATOM 0 HB2 ASP A 29 6.262 8.977 -4.215 1.00 12.12 H new ATOM 0 HB3 ASP A 29 6.002 9.577 -2.589 1.00 12.12 H new ATOM 411 N THR A 30 7.317 6.568 -1.257 1.00 32.42 N ATOM 412 CA THR A 30 6.703 5.327 -0.804 1.00 50.23 C ATOM 413 C THR A 30 5.309 5.575 -0.242 1.00 75.33 C ATOM 414 O THR A 30 4.876 6.721 -0.115 1.00 33.33 O ATOM 415 CB THR A 30 7.562 4.635 0.272 1.00 12.33 C ATOM 416 OG1 THR A 30 7.031 3.337 0.563 1.00 32.04 O ATOM 417 CG2 THR A 30 7.609 5.467 1.544 1.00 35.51 C ATOM 0 H THR A 30 7.945 7.000 -0.579 1.00 32.42 H new ATOM 0 HA THR A 30 6.629 4.676 -1.675 1.00 50.23 H new ATOM 0 HB THR A 30 8.576 4.533 -0.114 1.00 12.33 H new ATOM 0 HG1 THR A 30 7.076 2.778 -0.240 1.00 32.04 H new ATOM 0 HG21 THR A 30 8.221 4.958 2.289 1.00 35.51 H new ATOM 0 HG22 THR A 30 8.041 6.443 1.324 1.00 35.51 H new ATOM 0 HG23 THR A 30 6.599 5.596 1.932 1.00 35.51 H new ATOM 425 N ILE A 31 4.610 4.496 0.095 1.00 11.34 N ATOM 426 CA ILE A 31 3.264 4.599 0.645 1.00 63.21 C ATOM 427 C ILE A 31 3.230 5.546 1.840 1.00 11.33 C ATOM 428 O ILE A 31 2.182 6.097 2.176 1.00 45.22 O ATOM 429 CB ILE A 31 2.727 3.223 1.079 1.00 72.34 C ATOM 430 CG1 ILE A 31 2.849 2.218 -0.068 1.00 43.15 C ATOM 431 CG2 ILE A 31 1.281 3.339 1.538 1.00 4.22 C ATOM 432 CD1 ILE A 31 2.320 2.738 -1.386 1.00 43.23 C ATOM 0 H ILE A 31 4.954 3.541 -0.003 1.00 11.34 H new ATOM 0 HA ILE A 31 2.628 4.994 -0.147 1.00 63.21 H new ATOM 0 HB ILE A 31 3.325 2.864 1.916 1.00 72.34 H new ATOM 0 HG12 ILE A 31 3.897 1.943 -0.189 1.00 43.15 H new ATOM 0 HG13 ILE A 31 2.310 1.309 0.197 1.00 43.15 H new ATOM 0 HG21 ILE A 31 0.916 2.358 1.842 1.00 4.22 H new ATOM 0 HG22 ILE A 31 1.221 4.026 2.382 1.00 4.22 H new ATOM 0 HG23 ILE A 31 0.669 3.717 0.719 1.00 4.22 H new ATOM 0 HD11 ILE A 31 2.439 1.973 -2.153 1.00 43.23 H new ATOM 0 HD12 ILE A 31 1.264 2.986 -1.282 1.00 43.23 H new ATOM 0 HD13 ILE A 31 2.876 3.630 -1.674 1.00 43.23 H new ATOM 443 N GLU A 32 4.383 5.731 2.475 1.00 2.32 N ATOM 444 CA GLU A 32 4.484 6.613 3.631 1.00 53.04 C ATOM 445 C GLU A 32 4.202 8.061 3.238 1.00 74.13 C ATOM 446 O GLU A 32 3.592 8.813 3.997 1.00 11.23 O ATOM 447 CB GLU A 32 5.874 6.506 4.262 1.00 54.24 C ATOM 448 CG GLU A 32 6.214 5.108 4.751 1.00 44.12 C ATOM 449 CD GLU A 32 7.704 4.906 4.949 1.00 50.42 C ATOM 450 OE1 GLU A 32 8.353 5.802 5.526 1.00 73.41 O ATOM 451 OE2 GLU A 32 8.220 3.849 4.527 1.00 24.45 O ATOM 0 H GLU A 32 5.259 5.282 2.208 1.00 2.32 H new ATOM 0 HA GLU A 32 3.736 6.301 4.360 1.00 53.04 H new ATOM 0 HB2 GLU A 32 6.620 6.818 3.532 1.00 54.24 H new ATOM 0 HB3 GLU A 32 5.938 7.200 5.100 1.00 54.24 H new ATOM 0 HG2 GLU A 32 5.697 4.921 5.692 1.00 44.12 H new ATOM 0 HG3 GLU A 32 5.844 4.376 4.033 1.00 44.12 H new ATOM 456 N ASN A 33 4.652 8.442 2.048 1.00 13.43 N ATOM 457 CA ASN A 33 4.450 9.799 1.553 1.00 31.41 C ATOM 458 C ASN A 33 3.051 9.962 0.966 1.00 64.13 C ATOM 459 O ASN A 33 2.326 10.895 1.310 1.00 4.42 O ATOM 460 CB ASN A 33 5.502 10.142 0.496 1.00 15.10 C ATOM 461 CG ASN A 33 6.812 10.597 1.111 1.00 51.42 C ATOM 462 OD1 ASN A 33 7.788 9.847 1.142 1.00 11.53 O ATOM 463 ND2 ASN A 33 6.838 11.829 1.604 1.00 2.23 N ATOM 0 H ASN A 33 5.159 7.831 1.408 1.00 13.43 H new ATOM 0 HA ASN A 33 4.554 10.484 2.394 1.00 31.41 H new ATOM 0 HB2 ASN A 33 5.682 9.268 -0.131 1.00 15.10 H new ATOM 0 HB3 ASN A 33 5.117 10.927 -0.155 1.00 15.10 H new ATOM 0 HD21 ASN A 33 7.691 12.190 2.031 1.00 2.23 H new ATOM 0 HD22 ASN A 33 6.005 12.415 1.556 1.00 2.23 H new ATOM 469 N VAL A 34 2.678 9.045 0.078 1.00 13.24 N ATOM 470 CA VAL A 34 1.365 9.085 -0.556 1.00 45.12 C ATOM 471 C VAL A 34 0.253 9.131 0.485 1.00 24.54 C ATOM 472 O VAL A 34 -0.817 9.689 0.242 1.00 11.41 O ATOM 473 CB VAL A 34 1.147 7.864 -1.471 1.00 25.43 C ATOM 474 CG1 VAL A 34 2.378 7.611 -2.327 1.00 24.25 C ATOM 475 CG2 VAL A 34 0.801 6.635 -0.645 1.00 64.22 C ATOM 0 H VAL A 34 3.266 8.266 -0.218 1.00 13.24 H new ATOM 0 HA VAL A 34 1.332 9.993 -1.159 1.00 45.12 H new ATOM 0 HB VAL A 34 0.309 8.075 -2.136 1.00 25.43 H new ATOM 0 HG11 VAL A 34 2.205 6.745 -2.966 1.00 24.25 H new ATOM 0 HG12 VAL A 34 2.576 8.486 -2.947 1.00 24.25 H new ATOM 0 HG13 VAL A 34 3.236 7.421 -1.683 1.00 24.25 H new ATOM 0 HG21 VAL A 34 0.650 5.782 -1.307 1.00 64.22 H new ATOM 0 HG22 VAL A 34 1.617 6.419 0.045 1.00 64.22 H new ATOM 0 HG23 VAL A 34 -0.112 6.822 -0.080 1.00 64.22 H new ATOM 485 N LYS A 35 0.514 8.543 1.647 1.00 14.43 N ATOM 486 CA LYS A 35 -0.465 8.518 2.729 1.00 11.23 C ATOM 487 C LYS A 35 -1.005 9.917 3.006 1.00 65.02 C ATOM 488 O LYS A 35 -2.125 10.075 3.490 1.00 4.03 O ATOM 489 CB LYS A 35 0.163 7.940 3.998 1.00 61.12 C ATOM 490 CG LYS A 35 0.891 8.973 4.842 1.00 12.50 C ATOM 491 CD LYS A 35 -0.026 9.585 5.887 1.00 51.31 C ATOM 492 CE LYS A 35 0.520 9.388 7.292 1.00 45.03 C ATOM 493 NZ LYS A 35 0.273 10.575 8.156 1.00 75.42 N ATOM 0 H LYS A 35 1.395 8.077 1.865 1.00 14.43 H new ATOM 0 HA LYS A 35 -1.295 7.883 2.421 1.00 11.23 H new ATOM 0 HB2 LYS A 35 -0.618 7.476 4.601 1.00 61.12 H new ATOM 0 HB3 LYS A 35 0.863 7.152 3.720 1.00 61.12 H new ATOM 0 HG2 LYS A 35 1.744 8.506 5.334 1.00 12.50 H new ATOM 0 HG3 LYS A 35 1.285 9.759 4.197 1.00 12.50 H new ATOM 0 HD2 LYS A 35 -0.146 10.650 5.688 1.00 51.31 H new ATOM 0 HD3 LYS A 35 -1.015 9.134 5.813 1.00 51.31 H new ATOM 0 HE2 LYS A 35 0.057 8.509 7.741 1.00 45.03 H new ATOM 0 HE3 LYS A 35 1.591 9.193 7.241 1.00 45.03 H new ATOM 0 HZ1 LYS A 35 0.660 10.400 9.105 1.00 75.42 H new ATOM 0 HZ2 LYS A 35 0.736 11.409 7.741 1.00 75.42 H new ATOM 0 HZ3 LYS A 35 -0.750 10.746 8.226 1.00 75.42 H new ATOM 503 N ALA A 36 -0.200 10.929 2.698 1.00 10.35 N ATOM 504 CA ALA A 36 -0.598 12.315 2.911 1.00 53.42 C ATOM 505 C ALA A 36 -1.592 12.770 1.847 1.00 72.35 C ATOM 506 O ALA A 36 -2.550 13.484 2.144 1.00 25.14 O ATOM 507 CB ALA A 36 0.625 13.221 2.916 1.00 15.12 C ATOM 0 H ALA A 36 0.732 10.815 2.300 1.00 10.35 H new ATOM 0 HA ALA A 36 -1.089 12.381 3.882 1.00 53.42 H new ATOM 0 HB1 ALA A 36 0.313 14.253 3.076 1.00 15.12 H new ATOM 0 HB2 ALA A 36 1.299 12.918 3.717 1.00 15.12 H new ATOM 0 HB3 ALA A 36 1.140 13.142 1.959 1.00 15.12 H new ATOM 513 N LYS A 37 -1.359 12.353 0.608 1.00 45.25 N ATOM 514 CA LYS A 37 -2.232 12.716 -0.501 1.00 33.45 C ATOM 515 C LYS A 37 -3.593 12.039 -0.366 1.00 64.43 C ATOM 516 O LYS A 37 -4.628 12.646 -0.641 1.00 51.41 O ATOM 517 CB LYS A 37 -1.589 12.329 -1.834 1.00 63.21 C ATOM 518 CG LYS A 37 -0.852 13.473 -2.508 1.00 23.51 C ATOM 519 CD LYS A 37 -1.446 13.794 -3.869 1.00 2.34 C ATOM 520 CE LYS A 37 -2.468 14.918 -3.781 1.00 44.13 C ATOM 521 NZ LYS A 37 -2.631 15.622 -5.083 1.00 53.24 N ATOM 0 H LYS A 37 -0.570 11.762 0.346 1.00 45.25 H new ATOM 0 HA LYS A 37 -2.378 13.796 -0.476 1.00 33.45 H new ATOM 0 HB2 LYS A 37 -0.892 11.507 -1.667 1.00 63.21 H new ATOM 0 HB3 LYS A 37 -2.362 11.959 -2.507 1.00 63.21 H new ATOM 0 HG2 LYS A 37 -0.894 14.358 -1.874 1.00 23.51 H new ATOM 0 HG3 LYS A 37 0.200 13.212 -2.622 1.00 23.51 H new ATOM 0 HD2 LYS A 37 -0.650 14.078 -4.557 1.00 2.34 H new ATOM 0 HD3 LYS A 37 -1.919 12.902 -4.280 1.00 2.34 H new ATOM 0 HE2 LYS A 37 -3.429 14.511 -3.465 1.00 44.13 H new ATOM 0 HE3 LYS A 37 -2.158 15.632 -3.018 1.00 44.13 H new ATOM 0 HZ1 LYS A 37 -3.623 15.913 -5.198 1.00 53.24 H new ATOM 0 HZ2 LYS A 37 -2.019 16.462 -5.102 1.00 53.24 H new ATOM 0 HZ3 LYS A 37 -2.366 14.983 -5.859 1.00 53.24 H new ATOM 531 N ILE A 38 -3.582 10.781 0.061 1.00 14.10 N ATOM 532 CA ILE A 38 -4.816 10.024 0.235 1.00 70.00 C ATOM 533 C ILE A 38 -5.617 10.544 1.424 1.00 13.14 C ATOM 534 O ILE A 38 -6.847 10.482 1.430 1.00 42.21 O ATOM 535 CB ILE A 38 -4.532 8.524 0.438 1.00 73.54 C ATOM 536 CG1 ILE A 38 -5.830 7.719 0.350 1.00 21.24 C ATOM 537 CG2 ILE A 38 -3.848 8.291 1.777 1.00 21.41 C ATOM 538 CD1 ILE A 38 -6.498 7.502 1.690 1.00 74.04 C ATOM 0 H ILE A 38 -2.733 10.265 0.293 1.00 14.10 H new ATOM 0 HA ILE A 38 -5.398 10.155 -0.677 1.00 70.00 H new ATOM 0 HB ILE A 38 -3.863 8.186 -0.354 1.00 73.54 H new ATOM 0 HG12 ILE A 38 -6.524 8.235 -0.314 1.00 21.24 H new ATOM 0 HG13 ILE A 38 -5.617 6.750 -0.102 1.00 21.24 H new ATOM 0 HG21 ILE A 38 -3.654 7.226 1.906 1.00 21.41 H new ATOM 0 HG22 ILE A 38 -2.905 8.838 1.804 1.00 21.41 H new ATOM 0 HG23 ILE A 38 -4.494 8.642 2.582 1.00 21.41 H new ATOM 0 HD11 ILE A 38 -7.412 6.924 1.552 1.00 74.04 H new ATOM 0 HD12 ILE A 38 -5.822 6.959 2.350 1.00 74.04 H new ATOM 0 HD13 ILE A 38 -6.742 8.466 2.135 1.00 74.04 H new ATOM 549 N GLN A 39 -4.912 11.058 2.426 1.00 53.14 N ATOM 550 CA GLN A 39 -5.559 11.589 3.620 1.00 33.22 C ATOM 551 C GLN A 39 -6.426 12.795 3.278 1.00 25.34 C ATOM 552 O GLN A 39 -7.427 13.063 3.944 1.00 14.32 O ATOM 553 CB GLN A 39 -4.509 11.980 4.663 1.00 14.44 C ATOM 554 CG GLN A 39 -5.059 12.058 6.079 1.00 11.21 C ATOM 555 CD GLN A 39 -5.904 13.294 6.310 1.00 22.33 C ATOM 556 OE1 GLN A 39 -7.038 13.207 6.780 1.00 53.04 O ATOM 557 NE2 GLN A 39 -5.355 14.457 5.979 1.00 0.11 N ATOM 0 H GLN A 39 -3.894 11.118 2.435 1.00 53.14 H new ATOM 0 HA GLN A 39 -6.199 10.810 4.033 1.00 33.22 H new ATOM 0 HB2 GLN A 39 -3.696 11.255 4.637 1.00 14.44 H new ATOM 0 HB3 GLN A 39 -4.083 12.947 4.393 1.00 14.44 H new ATOM 0 HG2 GLN A 39 -5.658 11.170 6.281 1.00 11.21 H new ATOM 0 HG3 GLN A 39 -4.230 12.052 6.787 1.00 11.21 H new ATOM 0 HE21 GLN A 39 -4.412 14.484 5.592 1.00 0.11 H new ATOM 0 HE22 GLN A 39 -5.877 15.323 6.112 1.00 0.11 H new ATOM 564 N ASP A 40 -6.036 13.522 2.235 1.00 71.33 N ATOM 565 CA ASP A 40 -6.779 14.701 1.804 1.00 61.04 C ATOM 566 C ASP A 40 -8.061 14.301 1.081 1.00 40.20 C ATOM 567 O ASP A 40 -9.029 15.060 1.045 1.00 73.30 O ATOM 568 CB ASP A 40 -5.912 15.569 0.891 1.00 3.34 C ATOM 569 CG ASP A 40 -6.702 16.682 0.230 1.00 12.11 C ATOM 570 OD1 ASP A 40 -7.608 17.238 0.886 1.00 71.25 O ATOM 571 OD2 ASP A 40 -6.414 16.998 -0.943 1.00 75.15 O ATOM 0 H ASP A 40 -5.210 13.315 1.673 1.00 71.33 H new ATOM 0 HA ASP A 40 -7.048 15.276 2.690 1.00 61.04 H new ATOM 0 HB2 ASP A 40 -5.097 16.001 1.472 1.00 3.34 H new ATOM 0 HB3 ASP A 40 -5.459 14.943 0.122 1.00 3.34 H new ATOM 575 N LYS A 41 -8.060 13.103 0.505 1.00 55.21 N ATOM 576 CA LYS A 41 -9.222 12.600 -0.218 1.00 13.11 C ATOM 577 C LYS A 41 -10.292 12.106 0.750 1.00 1.23 C ATOM 578 O LYS A 41 -11.441 12.544 0.695 1.00 51.32 O ATOM 579 CB LYS A 41 -8.811 11.468 -1.162 1.00 71.41 C ATOM 580 CG LYS A 41 -7.506 11.731 -1.893 1.00 51.35 C ATOM 581 CD LYS A 41 -7.604 12.953 -2.790 1.00 31.32 C ATOM 582 CE LYS A 41 -6.412 13.880 -2.602 1.00 53.34 C ATOM 583 NZ LYS A 41 -6.582 15.159 -3.344 1.00 31.33 N ATOM 0 H LYS A 41 -7.267 12.462 0.525 1.00 55.21 H new ATOM 0 HA LYS A 41 -9.637 13.420 -0.804 1.00 13.11 H new ATOM 0 HB2 LYS A 41 -8.718 10.545 -0.590 1.00 71.41 H new ATOM 0 HB3 LYS A 41 -9.603 11.311 -1.894 1.00 71.41 H new ATOM 0 HG2 LYS A 41 -6.705 11.874 -1.168 1.00 51.35 H new ATOM 0 HG3 LYS A 41 -7.242 10.860 -2.492 1.00 51.35 H new ATOM 0 HD2 LYS A 41 -7.660 12.637 -3.832 1.00 31.32 H new ATOM 0 HD3 LYS A 41 -8.525 13.494 -2.571 1.00 31.32 H new ATOM 0 HE2 LYS A 41 -6.280 14.091 -1.541 1.00 53.34 H new ATOM 0 HE3 LYS A 41 -5.506 13.380 -2.943 1.00 53.34 H new ATOM 0 HZ1 LYS A 41 -5.820 15.258 -4.045 1.00 31.33 H new ATOM 0 HZ2 LYS A 41 -7.502 15.159 -3.830 1.00 31.33 H new ATOM 0 HZ3 LYS A 41 -6.543 15.955 -2.676 1.00 31.33 H new ATOM 593 N GLU A 42 -9.907 11.193 1.636 1.00 41.31 N ATOM 594 CA GLU A 42 -10.835 10.640 2.615 1.00 65.35 C ATOM 595 C GLU A 42 -10.289 10.800 4.032 1.00 10.43 C ATOM 596 O GLU A 42 -11.042 11.033 4.976 1.00 71.43 O ATOM 597 CB GLU A 42 -11.099 9.162 2.324 1.00 4.24 C ATOM 598 CG GLU A 42 -9.851 8.384 1.940 1.00 12.24 C ATOM 599 CD GLU A 42 -10.155 6.952 1.546 1.00 12.20 C ATOM 600 OE1 GLU A 42 -11.079 6.357 2.140 1.00 43.44 O ATOM 601 OE2 GLU A 42 -9.469 6.426 0.645 1.00 11.24 O ATOM 0 H GLU A 42 -8.959 10.821 1.696 1.00 41.31 H new ATOM 0 HA GLU A 42 -11.773 11.191 2.539 1.00 65.35 H new ATOM 0 HB2 GLU A 42 -11.547 8.702 3.204 1.00 4.24 H new ATOM 0 HB3 GLU A 42 -11.828 9.084 1.517 1.00 4.24 H new ATOM 0 HG2 GLU A 42 -9.354 8.887 1.111 1.00 12.24 H new ATOM 0 HG3 GLU A 42 -9.154 8.386 2.778 1.00 12.24 H new ATOM 606 N GLY A 43 -8.973 10.672 4.171 1.00 42.10 N ATOM 607 CA GLY A 43 -8.348 10.805 5.474 1.00 53.53 C ATOM 608 C GLY A 43 -7.982 9.465 6.081 1.00 42.42 C ATOM 609 O GLY A 43 -7.846 9.343 7.299 1.00 52.40 O ATOM 0 H GLY A 43 -8.329 10.479 3.404 1.00 42.10 H new ATOM 0 HA2 GLY A 43 -7.450 11.416 5.382 1.00 53.53 H new ATOM 0 HA3 GLY A 43 -9.025 11.332 6.146 1.00 53.53 H new ATOM 613 N ILE A 44 -7.824 8.455 5.230 1.00 23.40 N ATOM 614 CA ILE A 44 -7.472 7.118 5.689 1.00 72.51 C ATOM 615 C ILE A 44 -5.969 6.993 5.918 1.00 52.43 C ATOM 616 O ILE A 44 -5.160 7.188 5.011 1.00 54.33 O ATOM 617 CB ILE A 44 -7.918 6.041 4.683 1.00 63.22 C ATOM 618 CG1 ILE A 44 -9.438 6.072 4.510 1.00 33.12 C ATOM 619 CG2 ILE A 44 -7.460 4.665 5.142 1.00 62.23 C ATOM 620 CD1 ILE A 44 -10.198 5.769 5.782 1.00 70.11 C ATOM 0 H ILE A 44 -7.934 8.539 4.219 1.00 23.40 H new ATOM 0 HA ILE A 44 -7.995 6.961 6.632 1.00 72.51 H new ATOM 0 HB ILE A 44 -7.457 6.253 3.718 1.00 63.22 H new ATOM 0 HG12 ILE A 44 -9.734 7.056 4.145 1.00 33.12 H new ATOM 0 HG13 ILE A 44 -9.723 5.350 3.745 1.00 33.12 H new ATOM 0 HG21 ILE A 44 -7.783 3.915 4.420 1.00 62.23 H new ATOM 0 HG22 ILE A 44 -6.373 4.650 5.219 1.00 62.23 H new ATOM 0 HG23 ILE A 44 -7.896 4.443 6.116 1.00 62.23 H new ATOM 0 HD11 ILE A 44 -11.269 5.809 5.584 1.00 70.11 H new ATOM 0 HD12 ILE A 44 -9.931 4.774 6.137 1.00 70.11 H new ATOM 0 HD13 ILE A 44 -9.942 6.506 6.543 1.00 70.11 H new ATOM 631 N PRO A 45 -5.585 6.658 7.159 1.00 53.03 N ATOM 632 CA PRO A 45 -4.178 6.496 7.536 1.00 10.10 C ATOM 633 C PRO A 45 -3.546 5.262 6.902 1.00 32.21 C ATOM 634 O PRO A 45 -4.220 4.278 6.595 1.00 30.21 O ATOM 635 CB PRO A 45 -4.233 6.347 9.059 1.00 52.30 C ATOM 636 CG PRO A 45 -5.597 5.814 9.338 1.00 21.23 C ATOM 637 CD PRO A 45 -6.496 6.410 8.290 1.00 64.34 C ATOM 0 HA PRO A 45 -3.567 7.333 7.198 1.00 10.10 H new ATOM 0 HB2 PRO A 45 -3.461 5.667 9.418 1.00 52.30 H new ATOM 0 HB3 PRO A 45 -4.072 7.303 9.557 1.00 52.30 H new ATOM 0 HG2 PRO A 45 -5.608 4.725 9.289 1.00 21.23 H new ATOM 0 HG3 PRO A 45 -5.927 6.091 10.339 1.00 21.23 H new ATOM 0 HD2 PRO A 45 -7.301 5.728 8.016 1.00 64.34 H new ATOM 0 HD3 PRO A 45 -6.964 7.331 8.638 1.00 64.34 H new ATOM 642 N PRO A 46 -2.221 5.312 6.700 1.00 11.11 N ATOM 643 CA PRO A 46 -1.469 4.204 6.101 1.00 22.43 C ATOM 644 C PRO A 46 -1.382 2.997 7.027 1.00 43.54 C ATOM 645 O PRO A 46 -1.499 1.854 6.584 1.00 70.11 O ATOM 646 CB PRO A 46 -0.079 4.804 5.870 1.00 31.15 C ATOM 647 CG PRO A 46 0.033 5.898 6.875 1.00 22.13 C ATOM 648 CD PRO A 46 -1.355 6.453 7.040 1.00 60.03 C ATOM 0 HA PRO A 46 -1.943 3.832 5.193 1.00 22.43 H new ATOM 0 HB2 PRO A 46 0.703 4.057 6.009 1.00 31.15 H new ATOM 0 HB3 PRO A 46 0.023 5.187 4.855 1.00 31.15 H new ATOM 0 HG2 PRO A 46 0.417 5.520 7.822 1.00 22.13 H new ATOM 0 HG3 PRO A 46 0.724 6.670 6.536 1.00 22.13 H new ATOM 0 HD2 PRO A 46 -1.530 6.801 8.058 1.00 60.03 H new ATOM 0 HD3 PRO A 46 -1.530 7.301 6.378 1.00 60.03 H new ATOM 653 N ASP A 47 -1.174 3.256 8.313 1.00 43.14 N ATOM 654 CA ASP A 47 -1.072 2.189 9.302 1.00 1.40 C ATOM 655 C ASP A 47 -2.348 1.354 9.333 1.00 41.14 C ATOM 656 O ASP A 47 -2.312 0.160 9.631 1.00 62.34 O ATOM 657 CB ASP A 47 -0.795 2.774 10.688 1.00 40.43 C ATOM 658 CG ASP A 47 0.614 3.318 10.816 1.00 43.52 C ATOM 659 OD1 ASP A 47 1.569 2.555 10.560 1.00 70.42 O ATOM 660 OD2 ASP A 47 0.762 4.505 11.173 1.00 45.21 O ATOM 0 H ASP A 47 -1.073 4.196 8.695 1.00 43.14 H new ATOM 0 HA ASP A 47 -0.243 1.541 9.018 1.00 1.40 H new ATOM 0 HB2 ASP A 47 -1.509 3.572 10.892 1.00 40.43 H new ATOM 0 HB3 ASP A 47 -0.954 2.004 11.443 1.00 40.43 H new ATOM 664 N GLN A 48 -3.473 1.990 9.025 1.00 63.42 N ATOM 665 CA GLN A 48 -4.761 1.305 9.020 1.00 62.53 C ATOM 666 C GLN A 48 -5.263 1.099 7.595 1.00 62.13 C ATOM 667 O GLN A 48 -6.413 0.717 7.382 1.00 62.13 O ATOM 668 CB GLN A 48 -5.789 2.102 9.826 1.00 42.20 C ATOM 669 CG GLN A 48 -5.209 2.764 11.066 1.00 24.55 C ATOM 670 CD GLN A 48 -4.482 1.785 11.965 1.00 31.54 C ATOM 671 OE1 GLN A 48 -4.639 0.571 11.835 1.00 41.22 O ATOM 672 NE2 GLN A 48 -3.682 2.309 12.887 1.00 53.42 N ATOM 0 H GLN A 48 -3.519 2.978 8.776 1.00 63.42 H new ATOM 0 HA GLN A 48 -4.626 0.327 9.482 1.00 62.53 H new ATOM 0 HB2 GLN A 48 -6.225 2.868 9.186 1.00 42.20 H new ATOM 0 HB3 GLN A 48 -6.599 1.437 10.125 1.00 42.20 H new ATOM 0 HG2 GLN A 48 -4.521 3.553 10.763 1.00 24.55 H new ATOM 0 HG3 GLN A 48 -6.012 3.240 11.628 1.00 24.55 H new ATOM 0 HE21 GLN A 48 -3.582 3.321 12.959 1.00 53.42 H new ATOM 0 HE22 GLN A 48 -3.168 1.699 13.523 1.00 53.42 H new ATOM 679 N GLN A 49 -4.392 1.354 6.624 1.00 30.15 N ATOM 680 CA GLN A 49 -4.749 1.198 5.219 1.00 22.00 C ATOM 681 C GLN A 49 -4.040 -0.007 4.608 1.00 72.35 C ATOM 682 O GLN A 49 -2.912 -0.329 4.980 1.00 44.21 O ATOM 683 CB GLN A 49 -4.394 2.464 4.437 1.00 53.33 C ATOM 684 CG GLN A 49 -4.514 2.301 2.930 1.00 50.44 C ATOM 685 CD GLN A 49 -4.035 3.523 2.171 1.00 51.14 C ATOM 686 OE1 GLN A 49 -4.797 4.462 1.940 1.00 42.02 O ATOM 687 NE2 GLN A 49 -2.766 3.517 1.779 1.00 20.23 N ATOM 0 H GLN A 49 -3.435 1.669 6.784 1.00 30.15 H new ATOM 0 HA GLN A 49 -5.825 1.033 5.160 1.00 22.00 H new ATOM 0 HB2 GLN A 49 -5.046 3.275 4.760 1.00 53.33 H new ATOM 0 HB3 GLN A 49 -3.374 2.759 4.682 1.00 53.33 H new ATOM 0 HG2 GLN A 49 -3.935 1.433 2.615 1.00 50.44 H new ATOM 0 HG3 GLN A 49 -5.554 2.102 2.672 1.00 50.44 H new ATOM 0 HE21 GLN A 49 -2.170 2.717 1.992 1.00 20.23 H new ATOM 0 HE22 GLN A 49 -2.387 4.312 1.265 1.00 20.23 H new ATOM 694 N ARG A 50 -4.710 -0.669 3.671 1.00 62.12 N ATOM 695 CA ARG A 50 -4.145 -1.840 3.011 1.00 1.12 C ATOM 696 C ARG A 50 -3.577 -1.471 1.643 1.00 11.03 C ATOM 697 O ARG A 50 -3.710 -0.333 1.190 1.00 64.05 O ATOM 698 CB ARG A 50 -5.209 -2.928 2.857 1.00 53.54 C ATOM 699 CG ARG A 50 -6.233 -2.631 1.775 1.00 22.53 C ATOM 700 CD ARG A 50 -7.232 -3.767 1.625 1.00 73.21 C ATOM 701 NE ARG A 50 -6.576 -5.071 1.580 1.00 54.12 N ATOM 702 CZ ARG A 50 -7.208 -6.220 1.794 1.00 4.13 C ATOM 703 NH1 ARG A 50 -8.505 -6.226 2.066 1.00 10.14 N ATOM 704 NH2 ARG A 50 -6.542 -7.366 1.734 1.00 61.35 N ATOM 0 H ARG A 50 -5.645 -0.415 3.352 1.00 62.12 H new ATOM 0 HA ARG A 50 -3.334 -2.220 3.632 1.00 1.12 H new ATOM 0 HB2 ARG A 50 -4.718 -3.875 2.631 1.00 53.54 H new ATOM 0 HB3 ARG A 50 -5.725 -3.056 3.808 1.00 53.54 H new ATOM 0 HG2 ARG A 50 -6.762 -1.709 2.017 1.00 22.53 H new ATOM 0 HG3 ARG A 50 -5.723 -2.466 0.826 1.00 22.53 H new ATOM 0 HD2 ARG A 50 -7.935 -3.744 2.458 1.00 73.21 H new ATOM 0 HD3 ARG A 50 -7.812 -3.622 0.714 1.00 73.21 H new ATOM 0 HE ARG A 50 -5.578 -5.101 1.373 1.00 54.12 H new ATOM 0 HH11 ARG A 50 -9.021 -5.347 2.111 1.00 10.14 H new ATOM 0 HH12 ARG A 50 -8.988 -7.110 2.230 1.00 10.14 H new ATOM 0 HH21 ARG A 50 -5.544 -7.365 1.523 1.00 61.35 H new ATOM 0 HH22 ARG A 50 -7.028 -8.248 1.898 1.00 61.35 H new ATOM 715 N LEU A 51 -2.946 -2.440 0.990 1.00 42.42 N ATOM 716 CA LEU A 51 -2.357 -2.218 -0.327 1.00 74.20 C ATOM 717 C LEU A 51 -2.828 -3.277 -1.318 1.00 10.15 C ATOM 718 O LEU A 51 -2.912 -4.460 -0.987 1.00 22.43 O ATOM 719 CB LEU A 51 -0.831 -2.233 -0.233 1.00 65.20 C ATOM 720 CG LEU A 51 -0.136 -0.879 -0.379 1.00 23.50 C ATOM 721 CD1 LEU A 51 -0.191 -0.107 0.930 1.00 4.12 C ATOM 722 CD2 LEU A 51 1.305 -1.064 -0.831 1.00 64.05 C ATOM 0 H LEU A 51 -2.829 -3.387 1.350 1.00 42.42 H new ATOM 0 HA LEU A 51 -2.683 -1.241 -0.685 1.00 74.20 H new ATOM 0 HB2 LEU A 51 -0.551 -2.661 0.729 1.00 65.20 H new ATOM 0 HB3 LEU A 51 -0.446 -2.901 -1.003 1.00 65.20 H new ATOM 0 HG LEU A 51 -0.663 -0.303 -1.140 1.00 23.50 H new ATOM 0 HD11 LEU A 51 0.309 0.854 0.807 1.00 4.12 H new ATOM 0 HD12 LEU A 51 -1.231 0.058 1.212 1.00 4.12 H new ATOM 0 HD13 LEU A 51 0.310 -0.679 1.711 1.00 4.12 H new ATOM 0 HD21 LEU A 51 1.783 -0.090 -0.929 1.00 64.05 H new ATOM 0 HD22 LEU A 51 1.844 -1.660 -0.094 1.00 64.05 H new ATOM 0 HD23 LEU A 51 1.322 -1.575 -1.794 1.00 64.05 H new ATOM 733 N ILE A 52 -3.133 -2.844 -2.537 1.00 21.32 N ATOM 734 CA ILE A 52 -3.592 -3.754 -3.579 1.00 43.25 C ATOM 735 C ILE A 52 -2.836 -3.524 -4.882 1.00 45.20 C ATOM 736 O ILE A 52 -2.941 -2.461 -5.495 1.00 73.11 O ATOM 737 CB ILE A 52 -5.102 -3.597 -3.839 1.00 72.13 C ATOM 738 CG1 ILE A 52 -5.861 -3.487 -2.515 1.00 61.10 C ATOM 739 CG2 ILE A 52 -5.623 -4.768 -4.658 1.00 23.13 C ATOM 740 CD1 ILE A 52 -5.819 -4.752 -1.687 1.00 41.13 C ATOM 0 H ILE A 52 -3.070 -1.868 -2.827 1.00 21.32 H new ATOM 0 HA ILE A 52 -3.397 -4.765 -3.223 1.00 43.25 H new ATOM 0 HB ILE A 52 -5.264 -2.681 -4.407 1.00 72.13 H new ATOM 0 HG12 ILE A 52 -5.441 -2.667 -1.932 1.00 61.10 H new ATOM 0 HG13 ILE A 52 -6.900 -3.232 -2.722 1.00 61.10 H new ATOM 0 HG21 ILE A 52 -6.691 -4.643 -4.833 1.00 23.13 H new ATOM 0 HG22 ILE A 52 -5.100 -4.805 -5.614 1.00 23.13 H new ATOM 0 HG23 ILE A 52 -5.451 -5.697 -4.115 1.00 23.13 H new ATOM 0 HD11 ILE A 52 -6.377 -4.601 -0.763 1.00 41.13 H new ATOM 0 HD12 ILE A 52 -6.265 -5.571 -2.251 1.00 41.13 H new ATOM 0 HD13 ILE A 52 -4.784 -4.997 -1.449 1.00 41.13 H new ATOM 751 N PHE A 53 -2.074 -4.528 -5.304 1.00 74.32 N ATOM 752 CA PHE A 53 -1.301 -4.436 -6.537 1.00 62.21 C ATOM 753 C PHE A 53 -1.676 -5.557 -7.500 1.00 54.44 C ATOM 754 O PHE A 53 -1.386 -6.727 -7.250 1.00 13.41 O ATOM 755 CB PHE A 53 0.197 -4.493 -6.229 1.00 3.21 C ATOM 756 CG PHE A 53 1.057 -4.616 -7.455 1.00 61.52 C ATOM 757 CD1 PHE A 53 0.839 -3.801 -8.554 1.00 35.00 C ATOM 758 CD2 PHE A 53 2.083 -5.545 -7.508 1.00 72.21 C ATOM 759 CE1 PHE A 53 1.628 -3.912 -9.684 1.00 51.23 C ATOM 760 CE2 PHE A 53 2.875 -5.661 -8.634 1.00 11.14 C ATOM 761 CZ PHE A 53 2.648 -4.843 -9.723 1.00 2.31 C ATOM 0 H PHE A 53 -1.975 -5.415 -4.810 1.00 74.32 H new ATOM 0 HA PHE A 53 -1.532 -3.482 -7.011 1.00 62.21 H new ATOM 0 HB2 PHE A 53 0.482 -3.593 -5.684 1.00 3.21 H new ATOM 0 HB3 PHE A 53 0.393 -5.340 -5.571 1.00 3.21 H new ATOM 0 HD1 PHE A 53 0.044 -3.071 -8.528 1.00 35.00 H new ATOM 0 HD2 PHE A 53 2.266 -6.187 -6.659 1.00 72.21 H new ATOM 0 HE1 PHE A 53 1.447 -3.272 -10.535 1.00 51.23 H new ATOM 0 HE2 PHE A 53 3.671 -6.391 -8.662 1.00 11.14 H new ATOM 0 HZ PHE A 53 3.267 -4.931 -10.604 1.00 2.31 H new ATOM 770 N ALA A 54 -2.324 -5.193 -8.601 1.00 32.21 N ATOM 771 CA ALA A 54 -2.739 -6.167 -9.602 1.00 65.01 C ATOM 772 C ALA A 54 -3.499 -7.323 -8.962 1.00 31.15 C ATOM 773 O ALA A 54 -3.443 -8.456 -9.437 1.00 4.01 O ATOM 774 CB ALA A 54 -1.530 -6.687 -10.365 1.00 22.34 C ATOM 0 H ALA A 54 -2.573 -4.229 -8.823 1.00 32.21 H new ATOM 0 HA ALA A 54 -3.410 -5.668 -10.301 1.00 65.01 H new ATOM 0 HB1 ALA A 54 -1.855 -7.414 -11.110 1.00 22.34 H new ATOM 0 HB2 ALA A 54 -1.029 -5.857 -10.863 1.00 22.34 H new ATOM 0 HB3 ALA A 54 -0.839 -7.164 -9.670 1.00 22.34 H new ATOM 780 N GLY A 55 -4.212 -7.029 -7.878 1.00 30.42 N ATOM 781 CA GLY A 55 -4.973 -8.054 -7.189 1.00 13.12 C ATOM 782 C GLY A 55 -4.154 -8.778 -6.140 1.00 64.42 C ATOM 783 O GLY A 55 -4.450 -9.920 -5.787 1.00 30.12 O ATOM 0 H GLY A 55 -4.276 -6.098 -7.465 1.00 30.42 H new ATOM 0 HA2 GLY A 55 -5.843 -7.599 -6.716 1.00 13.12 H new ATOM 0 HA3 GLY A 55 -5.346 -8.776 -7.916 1.00 13.12 H new ATOM 787 N LYS A 56 -3.117 -8.114 -5.639 1.00 72.32 N ATOM 788 CA LYS A 56 -2.250 -8.700 -4.623 1.00 33.00 C ATOM 789 C LYS A 56 -2.187 -7.812 -3.385 1.00 64.02 C ATOM 790 O LYS A 56 -2.055 -6.593 -3.491 1.00 64.32 O ATOM 791 CB LYS A 56 -0.842 -8.912 -5.185 1.00 10.35 C ATOM 792 CG LYS A 56 -0.009 -9.894 -4.382 1.00 62.22 C ATOM 793 CD LYS A 56 -0.036 -11.283 -4.997 1.00 54.33 C ATOM 794 CE LYS A 56 0.890 -11.378 -6.199 1.00 10.40 C ATOM 795 NZ LYS A 56 0.932 -12.757 -6.759 1.00 45.41 N ATOM 0 H LYS A 56 -2.857 -7.169 -5.921 1.00 72.32 H new ATOM 0 HA LYS A 56 -2.668 -9.665 -4.336 1.00 33.00 H new ATOM 0 HB2 LYS A 56 -0.920 -9.269 -6.212 1.00 10.35 H new ATOM 0 HB3 LYS A 56 -0.325 -7.953 -5.219 1.00 10.35 H new ATOM 0 HG2 LYS A 56 1.020 -9.539 -4.327 1.00 62.22 H new ATOM 0 HG3 LYS A 56 -0.385 -9.940 -3.360 1.00 62.22 H new ATOM 0 HD2 LYS A 56 0.260 -12.019 -4.249 1.00 54.33 H new ATOM 0 HD3 LYS A 56 -1.054 -11.528 -5.300 1.00 54.33 H new ATOM 0 HE2 LYS A 56 0.557 -10.683 -6.970 1.00 10.40 H new ATOM 0 HE3 LYS A 56 1.895 -11.073 -5.908 1.00 10.40 H new ATOM 0 HZ1 LYS A 56 1.574 -12.780 -7.577 1.00 45.41 H new ATOM 0 HZ2 LYS A 56 1.274 -13.417 -6.031 1.00 45.41 H new ATOM 0 HZ3 LYS A 56 -0.023 -13.039 -7.060 1.00 45.41 H new ATOM 805 N GLN A 57 -2.279 -8.431 -2.213 1.00 42.13 N ATOM 806 CA GLN A 57 -2.230 -7.696 -0.954 1.00 0.54 C ATOM 807 C GLN A 57 -0.794 -7.551 -0.464 1.00 62.30 C ATOM 808 O GLN A 57 -0.019 -8.508 -0.486 1.00 74.40 O ATOM 809 CB GLN A 57 -3.075 -8.404 0.107 1.00 32.35 C ATOM 810 CG GLN A 57 -2.893 -7.837 1.506 1.00 51.40 C ATOM 811 CD GLN A 57 -3.702 -8.585 2.548 1.00 21.12 C ATOM 812 OE1 GLN A 57 -4.198 -9.683 2.294 1.00 20.41 O ATOM 813 NE2 GLN A 57 -3.839 -7.992 3.728 1.00 52.21 N ATOM 0 H GLN A 57 -2.388 -9.440 -2.108 1.00 42.13 H new ATOM 0 HA GLN A 57 -2.637 -6.700 -1.128 1.00 0.54 H new ATOM 0 HB2 GLN A 57 -4.127 -8.333 -0.171 1.00 32.35 H new ATOM 0 HB3 GLN A 57 -2.818 -9.463 0.117 1.00 32.35 H new ATOM 0 HG2 GLN A 57 -1.837 -7.875 1.775 1.00 51.40 H new ATOM 0 HG3 GLN A 57 -3.185 -6.787 1.509 1.00 51.40 H new ATOM 0 HE21 GLN A 57 -3.410 -7.081 3.894 1.00 52.21 H new ATOM 0 HE22 GLN A 57 -4.373 -8.447 4.469 1.00 52.21 H new ATOM 820 N LEU A 58 -0.444 -6.348 -0.022 1.00 71.23 N ATOM 821 CA LEU A 58 0.901 -6.076 0.474 1.00 61.32 C ATOM 822 C LEU A 58 0.856 -5.530 1.898 1.00 44.32 C ATOM 823 O LEU A 58 -0.212 -5.432 2.501 1.00 25.45 O ATOM 824 CB LEU A 58 1.614 -5.082 -0.444 1.00 11.21 C ATOM 825 CG LEU A 58 1.770 -5.509 -1.903 1.00 11.03 C ATOM 826 CD1 LEU A 58 0.542 -5.115 -2.709 1.00 54.41 C ATOM 827 CD2 LEU A 58 3.025 -4.895 -2.507 1.00 53.40 C ATOM 0 H LEU A 58 -1.073 -5.545 0.003 1.00 71.23 H new ATOM 0 HA LEU A 58 1.455 -7.015 0.482 1.00 61.32 H new ATOM 0 HB2 LEU A 58 1.068 -4.139 -0.419 1.00 11.21 H new ATOM 0 HB3 LEU A 58 2.606 -4.887 -0.035 1.00 11.21 H new ATOM 0 HG LEU A 58 1.868 -6.594 -1.935 1.00 11.03 H new ATOM 0 HD11 LEU A 58 0.671 -5.427 -3.745 1.00 54.41 H new ATOM 0 HD12 LEU A 58 -0.339 -5.602 -2.291 1.00 54.41 H new ATOM 0 HD13 LEU A 58 0.412 -4.033 -2.669 1.00 54.41 H new ATOM 0 HD21 LEU A 58 3.120 -5.210 -3.546 1.00 53.40 H new ATOM 0 HD22 LEU A 58 2.956 -3.808 -2.462 1.00 53.40 H new ATOM 0 HD23 LEU A 58 3.899 -5.227 -1.946 1.00 53.40 H new ATOM 838 N GLU A 59 2.023 -5.174 2.427 1.00 2.13 N ATOM 839 CA GLU A 59 2.116 -4.636 3.779 1.00 14.02 C ATOM 840 C GLU A 59 3.411 -3.851 3.965 1.00 13.21 C ATOM 841 O GLU A 59 3.410 -2.756 4.528 1.00 44.42 O ATOM 842 CB GLU A 59 2.038 -5.766 4.808 1.00 44.14 C ATOM 843 CG GLU A 59 1.691 -5.291 6.209 1.00 1.41 C ATOM 844 CD GLU A 59 1.662 -6.423 7.217 1.00 71.53 C ATOM 845 OE1 GLU A 59 2.220 -7.499 6.917 1.00 52.22 O ATOM 846 OE2 GLU A 59 1.082 -6.233 8.307 1.00 20.40 O ATOM 0 H GLU A 59 2.916 -5.249 1.940 1.00 2.13 H new ATOM 0 HA GLU A 59 1.276 -3.958 3.931 1.00 14.02 H new ATOM 0 HB2 GLU A 59 1.291 -6.490 4.484 1.00 44.14 H new ATOM 0 HB3 GLU A 59 2.995 -6.287 4.837 1.00 44.14 H new ATOM 0 HG2 GLU A 59 2.419 -4.545 6.527 1.00 1.41 H new ATOM 0 HG3 GLU A 59 0.718 -4.800 6.192 1.00 1.41 H new ATOM 851 N ASP A 60 4.513 -4.419 3.488 1.00 35.33 N ATOM 852 CA ASP A 60 5.816 -3.773 3.601 1.00 12.13 C ATOM 853 C ASP A 60 5.763 -2.347 3.063 1.00 21.22 C ATOM 854 O ASP A 60 4.996 -2.044 2.151 1.00 30.04 O ATOM 855 CB ASP A 60 6.873 -4.577 2.844 1.00 44.45 C ATOM 856 CG ASP A 60 8.286 -4.170 3.216 1.00 24.14 C ATOM 857 OD1 ASP A 60 8.822 -4.715 4.203 1.00 52.25 O ATOM 858 OD2 ASP A 60 8.856 -3.304 2.519 1.00 42.34 O ATOM 0 H ASP A 60 4.530 -5.325 3.020 1.00 35.33 H new ATOM 0 HA ASP A 60 6.086 -3.735 4.656 1.00 12.13 H new ATOM 0 HB2 ASP A 60 6.737 -5.638 3.053 1.00 44.45 H new ATOM 0 HB3 ASP A 60 6.729 -4.442 1.772 1.00 44.45 H new ATOM 862 N GLY A 61 6.584 -1.473 3.638 1.00 20.14 N ATOM 863 CA GLY A 61 6.615 -0.087 3.205 1.00 54.41 C ATOM 864 C GLY A 61 7.931 0.287 2.553 1.00 33.43 C ATOM 865 O GLY A 61 8.847 0.767 3.221 1.00 40.20 O ATOM 0 H GLY A 61 7.228 -1.700 4.396 1.00 20.14 H new ATOM 0 HA2 GLY A 61 5.801 0.089 2.501 1.00 54.41 H new ATOM 0 HA3 GLY A 61 6.440 0.562 4.063 1.00 54.41 H new ATOM 869 N ARG A 62 8.026 0.068 1.246 1.00 75.03 N ATOM 870 CA ARG A 62 9.241 0.383 0.506 1.00 0.45 C ATOM 871 C ARG A 62 8.922 1.215 -0.733 1.00 30.54 C ATOM 872 O ARG A 62 7.760 1.364 -1.113 1.00 61.24 O ATOM 873 CB ARG A 62 9.963 -0.903 0.097 1.00 1.24 C ATOM 874 CG ARG A 62 11.105 -1.281 1.025 1.00 73.31 C ATOM 875 CD ARG A 62 12.265 -0.306 0.909 1.00 65.12 C ATOM 876 NE ARG A 62 12.911 -0.067 2.197 1.00 3.40 N ATOM 877 CZ ARG A 62 13.845 0.857 2.391 1.00 3.21 C ATOM 878 NH1 ARG A 62 14.240 1.627 1.386 1.00 60.31 N ATOM 879 NH2 ARG A 62 14.387 1.013 3.592 1.00 73.41 N ATOM 0 H ARG A 62 7.276 -0.326 0.678 1.00 75.03 H new ATOM 0 HA ARG A 62 9.892 0.966 1.157 1.00 0.45 H new ATOM 0 HB2 ARG A 62 9.243 -1.721 0.069 1.00 1.24 H new ATOM 0 HB3 ARG A 62 10.352 -0.786 -0.915 1.00 1.24 H new ATOM 0 HG2 ARG A 62 10.747 -1.301 2.054 1.00 73.31 H new ATOM 0 HG3 ARG A 62 11.450 -2.288 0.788 1.00 73.31 H new ATOM 0 HD2 ARG A 62 12.998 -0.697 0.203 1.00 65.12 H new ATOM 0 HD3 ARG A 62 11.905 0.639 0.503 1.00 65.12 H new ATOM 0 HE ARG A 62 12.629 -0.641 2.991 1.00 3.40 H new ATOM 0 HH11 ARG A 62 13.826 1.510 0.461 1.00 60.31 H new ATOM 0 HH12 ARG A 62 14.958 2.336 1.538 1.00 60.31 H new ATOM 0 HH21 ARG A 62 14.086 0.423 4.368 1.00 73.41 H new ATOM 0 HH22 ARG A 62 15.104 1.723 3.740 1.00 73.41 H new ATOM 890 N THR A 63 9.961 1.758 -1.360 1.00 43.14 N ATOM 891 CA THR A 63 9.792 2.577 -2.553 1.00 64.14 C ATOM 892 C THR A 63 9.560 1.710 -3.785 1.00 4.43 C ATOM 893 O THR A 63 9.788 0.500 -3.759 1.00 73.12 O ATOM 894 CB THR A 63 11.020 3.476 -2.796 1.00 0.13 C ATOM 895 OG1 THR A 63 12.162 2.671 -3.111 1.00 11.14 O ATOM 896 CG2 THR A 63 11.316 4.329 -1.572 1.00 42.03 C ATOM 0 H THR A 63 10.929 1.645 -1.060 1.00 43.14 H new ATOM 0 HA THR A 63 8.918 3.206 -2.384 1.00 64.14 H new ATOM 0 HB THR A 63 10.800 4.136 -3.635 1.00 0.13 H new ATOM 0 HG1 THR A 63 12.938 3.250 -3.266 1.00 11.14 H new ATOM 0 HG21 THR A 63 12.187 4.955 -1.767 1.00 42.03 H new ATOM 0 HG22 THR A 63 10.456 4.962 -1.353 1.00 42.03 H new ATOM 0 HG23 THR A 63 11.518 3.682 -0.718 1.00 42.03 H new ATOM 904 N LEU A 64 9.106 2.336 -4.865 1.00 4.41 N ATOM 905 CA LEU A 64 8.844 1.622 -6.110 1.00 33.22 C ATOM 906 C LEU A 64 10.147 1.209 -6.788 1.00 32.41 C ATOM 907 O LEU A 64 10.229 0.147 -7.403 1.00 51.31 O ATOM 908 CB LEU A 64 8.017 2.494 -7.058 1.00 55.13 C ATOM 909 CG LEU A 64 6.960 3.381 -6.401 1.00 31.45 C ATOM 910 CD1 LEU A 64 6.147 4.114 -7.457 1.00 22.41 C ATOM 911 CD2 LEU A 64 6.049 2.553 -5.505 1.00 20.43 C ATOM 0 H LEU A 64 8.912 3.337 -4.904 1.00 4.41 H new ATOM 0 HA LEU A 64 8.280 0.721 -5.870 1.00 33.22 H new ATOM 0 HB2 LEU A 64 8.699 3.131 -7.621 1.00 55.13 H new ATOM 0 HB3 LEU A 64 7.520 1.844 -7.778 1.00 55.13 H new ATOM 0 HG LEU A 64 7.469 4.121 -5.783 1.00 31.45 H new ATOM 0 HD11 LEU A 64 5.399 4.741 -6.971 1.00 22.41 H new ATOM 0 HD12 LEU A 64 6.809 4.738 -8.057 1.00 22.41 H new ATOM 0 HD13 LEU A 64 5.649 3.389 -8.101 1.00 22.41 H new ATOM 0 HD21 LEU A 64 5.303 3.202 -5.046 1.00 20.43 H new ATOM 0 HD22 LEU A 64 5.549 1.790 -6.101 1.00 20.43 H new ATOM 0 HD23 LEU A 64 6.642 2.074 -4.726 1.00 20.43 H new ATOM 922 N SER A 65 11.164 2.058 -6.668 1.00 53.32 N ATOM 923 CA SER A 65 12.463 1.782 -7.269 1.00 3.22 C ATOM 924 C SER A 65 13.188 0.673 -6.513 1.00 14.51 C ATOM 925 O SER A 65 13.879 -0.151 -7.111 1.00 2.02 O ATOM 926 CB SER A 65 13.320 3.049 -7.286 1.00 72.33 C ATOM 927 OG SER A 65 14.442 2.896 -8.137 1.00 12.42 O ATOM 0 H SER A 65 11.113 2.941 -6.161 1.00 53.32 H new ATOM 0 HA SER A 65 12.298 1.450 -8.294 1.00 3.22 H new ATOM 0 HB2 SER A 65 12.718 3.894 -7.621 1.00 72.33 H new ATOM 0 HB3 SER A 65 13.656 3.278 -6.275 1.00 72.33 H new ATOM 0 HG SER A 65 14.972 3.720 -8.131 1.00 12.42 H new ATOM 932 N GLU A 66 13.023 0.659 -5.194 1.00 64.12 N ATOM 933 CA GLU A 66 13.663 -0.347 -4.356 1.00 15.30 C ATOM 934 C GLU A 66 12.950 -1.691 -4.480 1.00 61.24 C ATOM 935 O GLU A 66 13.589 -2.742 -4.541 1.00 43.53 O ATOM 936 CB GLU A 66 13.671 0.104 -2.894 1.00 41.02 C ATOM 937 CG GLU A 66 14.703 1.180 -2.596 1.00 73.30 C ATOM 938 CD GLU A 66 15.996 0.611 -2.047 1.00 61.23 C ATOM 939 OE1 GLU A 66 16.369 -0.510 -2.450 1.00 54.42 O ATOM 940 OE2 GLU A 66 16.636 1.287 -1.214 1.00 2.11 O ATOM 0 H GLU A 66 12.452 1.333 -4.684 1.00 64.12 H new ATOM 0 HA GLU A 66 14.691 -0.466 -4.698 1.00 15.30 H new ATOM 0 HB2 GLU A 66 12.681 0.479 -2.632 1.00 41.02 H new ATOM 0 HB3 GLU A 66 13.864 -0.759 -2.257 1.00 41.02 H new ATOM 0 HG2 GLU A 66 14.914 1.738 -3.508 1.00 73.30 H new ATOM 0 HG3 GLU A 66 14.288 1.888 -1.878 1.00 73.30 H new ATOM 945 N TYR A 67 11.623 -1.649 -4.516 1.00 21.15 N ATOM 946 CA TYR A 67 10.822 -2.863 -4.629 1.00 24.21 C ATOM 947 C TYR A 67 10.639 -3.258 -6.091 1.00 54.54 C ATOM 948 O TYR A 67 10.106 -4.326 -6.394 1.00 1.33 O ATOM 949 CB TYR A 67 9.457 -2.661 -3.968 1.00 44.30 C ATOM 950 CG TYR A 67 9.071 -3.778 -3.025 1.00 42.44 C ATOM 951 CD1 TYR A 67 9.296 -5.107 -3.362 1.00 41.33 C ATOM 952 CD2 TYR A 67 8.481 -3.504 -1.797 1.00 45.54 C ATOM 953 CE1 TYR A 67 8.944 -6.131 -2.503 1.00 43.24 C ATOM 954 CE2 TYR A 67 8.128 -4.522 -0.932 1.00 24.24 C ATOM 955 CZ TYR A 67 8.361 -5.833 -1.290 1.00 71.21 C ATOM 956 OH TYR A 67 8.009 -6.848 -0.431 1.00 54.44 O ATOM 0 H TYR A 67 11.079 -0.788 -4.469 1.00 21.15 H new ATOM 0 HA TYR A 67 11.350 -3.667 -4.117 1.00 24.21 H new ATOM 0 HB2 TYR A 67 9.464 -1.719 -3.419 1.00 44.30 H new ATOM 0 HB3 TYR A 67 8.696 -2.572 -4.744 1.00 44.30 H new ATOM 0 HD1 TYR A 67 9.754 -5.344 -4.311 1.00 41.33 H new ATOM 0 HD2 TYR A 67 8.295 -2.478 -1.514 1.00 45.54 H new ATOM 0 HE1 TYR A 67 9.125 -7.159 -2.781 1.00 43.24 H new ATOM 0 HE2 TYR A 67 7.672 -4.292 0.020 1.00 24.24 H new ATOM 0 HH TYR A 67 7.611 -6.467 0.380 1.00 54.44 H new ATOM 965 N ASN A 68 11.084 -2.391 -6.993 1.00 64.00 N ATOM 966 CA ASN A 68 10.970 -2.649 -8.424 1.00 43.54 C ATOM 967 C ASN A 68 9.548 -3.059 -8.791 1.00 13.14 C ATOM 968 O ASN A 68 9.335 -3.831 -9.726 1.00 53.41 O ATOM 969 CB ASN A 68 11.952 -3.744 -8.846 1.00 63.25 C ATOM 970 CG ASN A 68 12.463 -3.549 -10.260 1.00 2.33 C ATOM 971 OD1 ASN A 68 11.802 -3.926 -11.228 1.00 54.21 O ATOM 972 ND2 ASN A 68 13.645 -2.958 -10.387 1.00 43.44 N ATOM 0 H ASN A 68 11.527 -1.503 -6.759 1.00 64.00 H new ATOM 0 HA ASN A 68 11.213 -1.728 -8.954 1.00 43.54 H new ATOM 0 HB2 ASN A 68 12.796 -3.757 -8.156 1.00 63.25 H new ATOM 0 HB3 ASN A 68 11.463 -4.715 -8.770 1.00 63.25 H new ATOM 0 HD21 ASN A 68 14.039 -2.800 -11.314 1.00 43.44 H new ATOM 0 HD22 ASN A 68 14.159 -2.662 -9.557 1.00 43.44 H new ATOM 978 N ILE A 69 8.578 -2.535 -8.049 1.00 54.13 N ATOM 979 CA ILE A 69 7.174 -2.845 -8.298 1.00 64.05 C ATOM 980 C ILE A 69 6.550 -1.837 -9.256 1.00 63.14 C ATOM 981 O ILE A 69 7.066 -0.733 -9.432 1.00 43.20 O ATOM 982 CB ILE A 69 6.362 -2.865 -6.989 1.00 25.42 C ATOM 983 CG1 ILE A 69 6.502 -1.529 -6.257 1.00 13.04 C ATOM 984 CG2 ILE A 69 6.817 -4.012 -6.100 1.00 42.14 C ATOM 985 CD1 ILE A 69 5.638 -1.424 -5.020 1.00 10.14 C ATOM 0 H ILE A 69 8.738 -1.895 -7.271 1.00 54.13 H new ATOM 0 HA ILE A 69 7.144 -3.837 -8.749 1.00 64.05 H new ATOM 0 HB ILE A 69 5.311 -3.016 -7.233 1.00 25.42 H new ATOM 0 HG12 ILE A 69 7.545 -1.386 -5.975 1.00 13.04 H new ATOM 0 HG13 ILE A 69 6.243 -0.721 -6.941 1.00 13.04 H new ATOM 0 HG21 ILE A 69 6.234 -4.012 -5.179 1.00 42.14 H new ATOM 0 HG22 ILE A 69 6.671 -4.957 -6.622 1.00 42.14 H new ATOM 0 HG23 ILE A 69 7.873 -3.890 -5.860 1.00 42.14 H new ATOM 0 HD11 ILE A 69 5.789 -0.451 -4.552 1.00 10.14 H new ATOM 0 HD12 ILE A 69 4.590 -1.535 -5.298 1.00 10.14 H new ATOM 0 HD13 ILE A 69 5.912 -2.211 -4.317 1.00 10.14 H new ATOM 996 N GLN A 70 5.437 -2.223 -9.870 1.00 41.24 N ATOM 997 CA GLN A 70 4.742 -1.351 -10.810 1.00 50.44 C ATOM 998 C GLN A 70 3.588 -0.625 -10.127 1.00 51.23 C ATOM 999 O GLN A 70 2.434 -1.045 -10.220 1.00 3.13 O ATOM 1000 CB GLN A 70 4.219 -2.162 -11.998 1.00 33.22 C ATOM 1001 CG GLN A 70 5.315 -2.853 -12.793 1.00 61.31 C ATOM 1002 CD GLN A 70 4.977 -2.977 -14.265 1.00 45.12 C ATOM 1003 OE1 GLN A 70 5.084 -2.011 -15.022 1.00 15.43 O ATOM 1004 NE2 GLN A 70 4.568 -4.171 -14.680 1.00 23.35 N ATOM 0 H GLN A 70 4.997 -3.133 -9.734 1.00 41.24 H new ATOM 0 HA GLN A 70 5.452 -0.607 -11.171 1.00 50.44 H new ATOM 0 HB2 GLN A 70 3.517 -2.913 -11.634 1.00 33.22 H new ATOM 0 HB3 GLN A 70 3.662 -1.501 -12.662 1.00 33.22 H new ATOM 0 HG2 GLN A 70 6.245 -2.295 -12.683 1.00 61.31 H new ATOM 0 HG3 GLN A 70 5.488 -3.846 -12.379 1.00 61.31 H new ATOM 0 HE21 GLN A 70 4.494 -4.943 -14.018 1.00 23.35 H new ATOM 0 HE22 GLN A 70 4.328 -4.315 -15.661 1.00 23.35 H new ATOM 1011 N LYS A 71 3.906 0.467 -9.440 1.00 42.35 N ATOM 1012 CA LYS A 71 2.897 1.252 -8.741 1.00 30.50 C ATOM 1013 C LYS A 71 2.616 2.557 -9.480 1.00 0.41 C ATOM 1014 O LYS A 71 1.691 3.290 -9.133 1.00 34.40 O ATOM 1015 CB LYS A 71 3.354 1.552 -7.311 1.00 2.13 C ATOM 1016 CG LYS A 71 2.339 2.339 -6.501 1.00 23.22 C ATOM 1017 CD LYS A 71 2.681 3.819 -6.465 1.00 24.12 C ATOM 1018 CE LYS A 71 2.864 4.315 -5.039 1.00 23.32 C ATOM 1019 NZ LYS A 71 3.842 5.436 -4.963 1.00 15.13 N ATOM 0 H LYS A 71 4.856 0.828 -9.353 1.00 42.35 H new ATOM 0 HA LYS A 71 1.977 0.668 -8.707 1.00 30.50 H new ATOM 0 HB2 LYS A 71 3.563 0.612 -6.801 1.00 2.13 H new ATOM 0 HB3 LYS A 71 4.289 2.110 -7.347 1.00 2.13 H new ATOM 0 HG2 LYS A 71 1.346 2.204 -6.931 1.00 23.22 H new ATOM 0 HG3 LYS A 71 2.302 1.948 -5.484 1.00 23.22 H new ATOM 0 HD2 LYS A 71 3.594 3.996 -7.033 1.00 24.12 H new ATOM 0 HD3 LYS A 71 1.888 4.388 -6.950 1.00 24.12 H new ATOM 0 HE2 LYS A 71 1.903 4.644 -4.643 1.00 23.32 H new ATOM 0 HE3 LYS A 71 3.204 3.493 -4.409 1.00 23.32 H new ATOM 0 HZ1 LYS A 71 3.463 6.187 -4.351 1.00 15.13 H new ATOM 0 HZ2 LYS A 71 4.739 5.088 -4.568 1.00 15.13 H new ATOM 0 HZ3 LYS A 71 4.008 5.817 -5.916 1.00 15.13 H new ATOM 1029 N GLU A 72 3.420 2.840 -10.500 1.00 41.24 N ATOM 1030 CA GLU A 72 3.256 4.056 -11.288 1.00 44.31 C ATOM 1031 C GLU A 72 2.255 3.840 -12.419 1.00 72.51 C ATOM 1032 O GLU A 72 2.512 4.200 -13.568 1.00 73.50 O ATOM 1033 CB GLU A 72 4.602 4.503 -11.862 1.00 63.33 C ATOM 1034 CG GLU A 72 5.227 3.492 -12.808 1.00 12.52 C ATOM 1035 CD GLU A 72 6.741 3.565 -12.825 1.00 30.32 C ATOM 1036 OE1 GLU A 72 7.350 3.524 -11.735 1.00 35.12 O ATOM 1037 OE2 GLU A 72 7.318 3.665 -13.928 1.00 41.15 O ATOM 0 H GLU A 72 4.191 2.244 -10.800 1.00 41.24 H new ATOM 0 HA GLU A 72 2.872 4.836 -10.630 1.00 44.31 H new ATOM 0 HB2 GLU A 72 4.467 5.447 -12.390 1.00 63.33 H new ATOM 0 HB3 GLU A 72 5.292 4.694 -11.040 1.00 63.33 H new ATOM 0 HG2 GLU A 72 4.919 2.488 -12.516 1.00 12.52 H new ATOM 0 HG3 GLU A 72 4.848 3.661 -13.816 1.00 12.52 H new ATOM 1042 N SER A 73 1.111 3.250 -12.084 1.00 4.22 N ATOM 1043 CA SER A 73 0.073 2.983 -13.072 1.00 15.33 C ATOM 1044 C SER A 73 -1.306 2.960 -12.418 1.00 63.04 C ATOM 1045 O SER A 73 -2.032 3.955 -12.434 1.00 60.54 O ATOM 1046 CB SER A 73 0.338 1.649 -13.774 1.00 22.14 C ATOM 1047 OG SER A 73 1.356 1.782 -14.751 1.00 34.13 O ATOM 0 H SER A 73 0.881 2.949 -11.137 1.00 4.22 H new ATOM 0 HA SER A 73 0.094 3.785 -13.810 1.00 15.33 H new ATOM 0 HB2 SER A 73 0.630 0.899 -13.039 1.00 22.14 H new ATOM 0 HB3 SER A 73 -0.579 1.294 -14.245 1.00 22.14 H new ATOM 0 HG SER A 73 1.809 2.644 -14.636 1.00 34.13 H new ATOM 1052 N THR A 74 -1.661 1.815 -11.841 1.00 10.14 N ATOM 1053 CA THR A 74 -2.952 1.660 -11.182 1.00 23.43 C ATOM 1054 C THR A 74 -2.805 0.929 -9.852 1.00 32.44 C ATOM 1055 O THR A 74 -2.543 -0.273 -9.818 1.00 21.42 O ATOM 1056 CB THR A 74 -3.948 0.891 -12.070 1.00 10.14 C ATOM 1057 OG1 THR A 74 -3.425 0.767 -13.398 1.00 32.11 O ATOM 1058 CG2 THR A 74 -5.293 1.600 -12.114 1.00 52.23 C ATOM 0 H THR A 74 -1.072 0.982 -11.817 1.00 10.14 H new ATOM 0 HA THR A 74 -3.338 2.663 -11.002 1.00 23.43 H new ATOM 0 HB THR A 74 -4.092 -0.101 -11.642 1.00 10.14 H new ATOM 0 HG1 THR A 74 -4.063 0.275 -13.956 1.00 32.11 H new ATOM 0 HG21 THR A 74 -5.980 1.038 -12.747 1.00 52.23 H new ATOM 0 HG22 THR A 74 -5.702 1.668 -11.106 1.00 52.23 H new ATOM 0 HG23 THR A 74 -5.163 2.603 -12.521 1.00 52.23 H new ATOM 1066 N LEU A 75 -2.979 1.663 -8.758 1.00 50.12 N ATOM 1067 CA LEU A 75 -2.867 1.084 -7.423 1.00 51.31 C ATOM 1068 C LEU A 75 -4.039 1.509 -6.545 1.00 53.23 C ATOM 1069 O LEU A 75 -4.407 2.683 -6.509 1.00 30.21 O ATOM 1070 CB LEU A 75 -1.548 1.505 -6.772 1.00 32.33 C ATOM 1071 CG LEU A 75 -0.640 0.370 -6.300 1.00 63.25 C ATOM 1072 CD1 LEU A 75 -1.206 -0.282 -5.048 1.00 51.42 C ATOM 1073 CD2 LEU A 75 -0.457 -0.661 -7.405 1.00 50.15 C ATOM 0 H LEU A 75 -3.198 2.659 -8.769 1.00 50.12 H new ATOM 0 HA LEU A 75 -2.886 -0.001 -7.522 1.00 51.31 H new ATOM 0 HB2 LEU A 75 -0.993 2.115 -7.485 1.00 32.33 H new ATOM 0 HB3 LEU A 75 -1.775 2.141 -5.917 1.00 32.33 H new ATOM 0 HG LEU A 75 0.336 0.789 -6.056 1.00 63.25 H new ATOM 0 HD11 LEU A 75 -0.546 -1.088 -4.727 1.00 51.42 H new ATOM 0 HD12 LEU A 75 -1.284 0.461 -4.254 1.00 51.42 H new ATOM 0 HD13 LEU A 75 -2.195 -0.687 -5.264 1.00 51.42 H new ATOM 0 HD21 LEU A 75 0.192 -1.462 -7.051 1.00 50.15 H new ATOM 0 HD22 LEU A 75 -1.427 -1.075 -7.681 1.00 50.15 H new ATOM 0 HD23 LEU A 75 -0.005 -0.185 -8.275 1.00 50.15 H new ATOM 1084 N HIS A 76 -4.622 0.546 -5.837 1.00 44.01 N ATOM 1085 CA HIS A 76 -5.751 0.820 -4.957 1.00 31.21 C ATOM 1086 C HIS A 76 -5.433 0.412 -3.522 1.00 41.23 C ATOM 1087 O HIS A 76 -5.348 -0.776 -3.208 1.00 71.43 O ATOM 1088 CB HIS A 76 -6.998 0.082 -5.446 1.00 65.14 C ATOM 1089 CG HIS A 76 -7.043 -0.098 -6.932 1.00 60.22 C ATOM 1090 ND1 HIS A 76 -6.675 0.890 -7.820 1.00 2.53 N ATOM 1091 CD2 HIS A 76 -7.414 -1.160 -7.684 1.00 72.40 C ATOM 1092 CE1 HIS A 76 -6.820 0.444 -9.055 1.00 51.52 C ATOM 1093 NE2 HIS A 76 -7.266 -0.798 -9.000 1.00 14.52 N ATOM 0 H HIS A 76 -4.330 -0.431 -5.856 1.00 44.01 H new ATOM 0 HA HIS A 76 -5.943 1.893 -4.977 1.00 31.21 H new ATOM 0 HB2 HIS A 76 -7.042 -0.897 -4.968 1.00 65.14 H new ATOM 0 HB3 HIS A 76 -7.884 0.632 -5.128 1.00 65.14 H new ATOM 0 HD2 HIS A 76 -7.762 -2.114 -7.317 1.00 72.40 H new ATOM 0 HE1 HIS A 76 -6.610 1.000 -9.956 1.00 51.52 H new ATOM 0 HE2 HIS A 76 -7.468 -1.392 -9.805 1.00 14.52 H new ATOM 1100 N LEU A 77 -5.257 1.403 -2.654 1.00 51.30 N ATOM 1101 CA LEU A 77 -4.948 1.147 -1.252 1.00 41.05 C ATOM 1102 C LEU A 77 -5.909 1.897 -0.337 1.00 64.22 C ATOM 1103 O LEU A 77 -5.695 3.067 -0.019 1.00 70.34 O ATOM 1104 CB LEU A 77 -3.507 1.557 -0.944 1.00 23.23 C ATOM 1105 CG LEU A 77 -2.910 2.639 -1.846 1.00 61.14 C ATOM 1106 CD1 LEU A 77 -1.841 3.424 -1.102 1.00 64.34 C ATOM 1107 CD2 LEU A 77 -2.336 2.021 -3.113 1.00 62.44 C ATOM 0 H LEU A 77 -5.323 2.391 -2.897 1.00 51.30 H new ATOM 0 HA LEU A 77 -5.062 0.078 -1.070 1.00 41.05 H new ATOM 0 HB2 LEU A 77 -3.462 1.906 0.087 1.00 23.23 H new ATOM 0 HB3 LEU A 77 -2.876 0.670 -1.008 1.00 23.23 H new ATOM 0 HG LEU A 77 -3.706 3.328 -2.130 1.00 61.14 H new ATOM 0 HD11 LEU A 77 -1.428 4.189 -1.759 1.00 64.34 H new ATOM 0 HD12 LEU A 77 -2.282 3.898 -0.225 1.00 64.34 H new ATOM 0 HD13 LEU A 77 -1.046 2.748 -0.787 1.00 64.34 H new ATOM 0 HD21 LEU A 77 -1.916 2.805 -3.742 1.00 62.44 H new ATOM 0 HD22 LEU A 77 -1.553 1.310 -2.849 1.00 62.44 H new ATOM 0 HD23 LEU A 77 -3.127 1.505 -3.657 1.00 62.44 H new ATOM 1118 N VAL A 78 -6.969 1.216 0.087 1.00 52.44 N ATOM 1119 CA VAL A 78 -7.962 1.816 0.970 1.00 51.42 C ATOM 1120 C VAL A 78 -8.607 0.766 1.867 1.00 52.11 C ATOM 1121 O VAL A 78 -9.107 -0.253 1.388 1.00 42.32 O ATOM 1122 CB VAL A 78 -9.063 2.536 0.168 1.00 63.03 C ATOM 1123 CG1 VAL A 78 -9.862 3.462 1.071 1.00 63.43 C ATOM 1124 CG2 VAL A 78 -8.456 3.306 -0.996 1.00 32.22 C ATOM 0 H VAL A 78 -7.162 0.247 -0.167 1.00 52.44 H new ATOM 0 HA VAL A 78 -7.437 2.544 1.588 1.00 51.42 H new ATOM 0 HB VAL A 78 -9.743 1.787 -0.237 1.00 63.03 H new ATOM 0 HG11 VAL A 78 -10.635 3.962 0.487 1.00 63.43 H new ATOM 0 HG12 VAL A 78 -10.327 2.881 1.867 1.00 63.43 H new ATOM 0 HG13 VAL A 78 -9.197 4.208 1.507 1.00 63.43 H new ATOM 0 HG21 VAL A 78 -9.247 3.809 -1.552 1.00 32.22 H new ATOM 0 HG22 VAL A 78 -7.753 4.047 -0.615 1.00 32.22 H new ATOM 0 HG23 VAL A 78 -7.932 2.615 -1.656 1.00 32.22 H new ATOM 1134 N LEU A 79 -8.592 1.020 3.170 1.00 74.43 N ATOM 1135 CA LEU A 79 -9.178 0.097 4.136 1.00 43.24 C ATOM 1136 C LEU A 79 -10.383 0.724 4.830 1.00 1.42 C ATOM 1137 O LEU A 79 -10.245 1.683 5.589 1.00 61.24 O ATOM 1138 CB LEU A 79 -8.133 -0.313 5.176 1.00 33.21 C ATOM 1139 CG LEU A 79 -8.365 -1.656 5.869 1.00 15.24 C ATOM 1140 CD1 LEU A 79 -8.497 -2.771 4.843 1.00 5.31 C ATOM 1141 CD2 LEU A 79 -7.237 -1.957 6.844 1.00 21.15 C ATOM 0 H LEU A 79 -8.181 1.857 3.583 1.00 74.43 H new ATOM 0 HA LEU A 79 -9.514 -0.789 3.597 1.00 43.24 H new ATOM 0 HB2 LEU A 79 -7.158 -0.342 4.690 1.00 33.21 H new ATOM 0 HB3 LEU A 79 -8.086 0.463 5.940 1.00 33.21 H new ATOM 0 HG LEU A 79 -9.297 -1.595 6.431 1.00 15.24 H new ATOM 0 HD11 LEU A 79 -8.662 -3.719 5.355 1.00 5.31 H new ATOM 0 HD12 LEU A 79 -9.341 -2.562 4.186 1.00 5.31 H new ATOM 0 HD13 LEU A 79 -7.583 -2.832 4.252 1.00 5.31 H new ATOM 0 HD21 LEU A 79 -7.420 -2.917 7.327 1.00 21.15 H new ATOM 0 HD22 LEU A 79 -6.291 -1.997 6.304 1.00 21.15 H new ATOM 0 HD23 LEU A 79 -7.191 -1.173 7.600 1.00 21.15 H new ATOM 1152 N ARG A 80 -11.563 0.175 4.563 1.00 74.21 N ATOM 1153 CA ARG A 80 -12.793 0.680 5.162 1.00 0.44 C ATOM 1154 C ARG A 80 -12.909 2.190 4.974 1.00 44.32 C ATOM 1155 O ARG A 80 -12.730 2.960 5.918 1.00 23.44 O ATOM 1156 CB ARG A 80 -12.838 0.337 6.652 1.00 13.13 C ATOM 1157 CG ARG A 80 -14.110 0.800 7.344 1.00 72.35 C ATOM 1158 CD ARG A 80 -13.809 1.431 8.696 1.00 53.53 C ATOM 1159 NE ARG A 80 -13.112 0.507 9.588 1.00 12.14 N ATOM 1160 CZ ARG A 80 -13.722 -0.450 10.277 1.00 34.12 C ATOM 1161 NH1 ARG A 80 -15.035 -0.610 10.176 1.00 31.20 N ATOM 1162 NH2 ARG A 80 -13.020 -1.251 11.068 1.00 22.40 N ATOM 0 H ARG A 80 -11.694 -0.619 3.936 1.00 74.21 H new ATOM 0 HA ARG A 80 -13.634 0.202 4.660 1.00 0.44 H new ATOM 0 HB2 ARG A 80 -12.742 -0.742 6.771 1.00 13.13 H new ATOM 0 HB3 ARG A 80 -11.979 0.790 7.147 1.00 13.13 H new ATOM 0 HG2 ARG A 80 -14.628 1.521 6.712 1.00 72.35 H new ATOM 0 HG3 ARG A 80 -14.782 -0.048 7.478 1.00 72.35 H new ATOM 0 HD2 ARG A 80 -13.201 2.324 8.552 1.00 53.53 H new ATOM 0 HD3 ARG A 80 -14.741 1.752 9.162 1.00 53.53 H new ATOM 0 HE ARG A 80 -12.101 0.603 9.687 1.00 12.14 H new ATOM 0 HH11 ARG A 80 -15.578 0.003 9.568 1.00 31.20 H new ATOM 0 HH12 ARG A 80 -15.501 -1.346 10.706 1.00 31.20 H new ATOM 0 HH21 ARG A 80 -12.010 -1.132 11.148 1.00 22.40 H new ATOM 0 HH22 ARG A 80 -13.490 -1.986 11.597 1.00 22.40 H new ATOM 1173 N LEU A 81 -13.209 2.607 3.748 1.00 4.12 N ATOM 1174 CA LEU A 81 -13.348 4.025 3.435 1.00 73.41 C ATOM 1175 C LEU A 81 -14.296 4.709 4.416 1.00 64.24 C ATOM 1176 O LEU A 81 -14.983 4.047 5.193 1.00 34.32 O ATOM 1177 CB LEU A 81 -13.861 4.204 2.005 1.00 72.01 C ATOM 1178 CG LEU A 81 -15.341 3.893 1.779 1.00 14.24 C ATOM 1179 CD1 LEU A 81 -15.728 2.599 2.477 1.00 53.31 C ATOM 1180 CD2 LEU A 81 -16.208 5.045 2.267 1.00 72.45 C ATOM 0 H LEU A 81 -13.360 1.983 2.955 1.00 4.12 H new ATOM 0 HA LEU A 81 -12.366 4.489 3.523 1.00 73.41 H new ATOM 0 HB2 LEU A 81 -13.676 5.234 1.700 1.00 72.01 H new ATOM 0 HB3 LEU A 81 -13.272 3.566 1.346 1.00 72.01 H new ATOM 0 HG LEU A 81 -15.507 3.767 0.709 1.00 14.24 H new ATOM 0 HD11 LEU A 81 -16.785 2.395 2.305 1.00 53.31 H new ATOM 0 HD12 LEU A 81 -15.130 1.779 2.080 1.00 53.31 H new ATOM 0 HD13 LEU A 81 -15.547 2.695 3.548 1.00 53.31 H new ATOM 0 HD21 LEU A 81 -17.258 4.807 2.098 1.00 72.45 H new ATOM 0 HD22 LEU A 81 -16.038 5.202 3.332 1.00 72.45 H new ATOM 0 HD23 LEU A 81 -15.949 5.952 1.720 1.00 72.45 H new ATOM 1191 N ARG A 82 -14.327 6.036 4.372 1.00 22.43 N ATOM 1192 CA ARG A 82 -15.190 6.810 5.256 1.00 55.14 C ATOM 1193 C ARG A 82 -15.073 8.302 4.962 1.00 2.24 C ATOM 1194 O ARG A 82 -13.986 8.808 4.687 1.00 74.15 O ATOM 1195 CB ARG A 82 -14.833 6.538 6.719 1.00 33.13 C ATOM 1196 CG ARG A 82 -16.039 6.501 7.643 1.00 41.44 C ATOM 1197 CD ARG A 82 -16.767 5.168 7.556 1.00 44.14 C ATOM 1198 NE ARG A 82 -18.147 5.266 8.023 1.00 61.22 N ATOM 1199 CZ ARG A 82 -19.020 4.268 7.951 1.00 35.05 C ATOM 1200 NH1 ARG A 82 -18.658 3.102 7.433 1.00 61.31 N ATOM 1201 NH2 ARG A 82 -20.259 4.435 8.397 1.00 60.11 N ATOM 0 H ARG A 82 -13.764 6.598 3.733 1.00 22.43 H new ATOM 0 HA ARG A 82 -16.220 6.502 5.077 1.00 55.14 H new ATOM 0 HB2 ARG A 82 -14.306 5.586 6.785 1.00 33.13 H new ATOM 0 HB3 ARG A 82 -14.144 7.308 7.065 1.00 33.13 H new ATOM 0 HG2 ARG A 82 -15.717 6.675 8.670 1.00 41.44 H new ATOM 0 HG3 ARG A 82 -16.723 7.308 7.382 1.00 41.44 H new ATOM 0 HD2 ARG A 82 -16.758 4.817 6.524 1.00 44.14 H new ATOM 0 HD3 ARG A 82 -16.235 4.425 8.150 1.00 44.14 H new ATOM 0 HE ARG A 82 -18.458 6.150 8.427 1.00 61.22 H new ATOM 0 HH11 ARG A 82 -17.707 2.970 7.089 1.00 61.31 H new ATOM 0 HH12 ARG A 82 -19.331 2.337 7.379 1.00 61.31 H new ATOM 0 HH21 ARG A 82 -20.541 5.331 8.795 1.00 60.11 H new ATOM 0 HH22 ARG A 82 -20.929 3.668 8.341 1.00 60.11 H new ATOM 1212 N GLY A 83 -16.202 9.002 5.019 1.00 70.53 N ATOM 1213 CA GLY A 83 -16.205 10.430 4.756 1.00 61.23 C ATOM 1214 C GLY A 83 -16.868 10.775 3.438 1.00 74.12 C ATOM 1215 O GLY A 83 -17.112 9.898 2.609 1.00 44.44 O ATOM 0 H GLY A 83 -17.115 8.606 5.243 1.00 70.53 H new ATOM 0 HA2 GLY A 83 -16.723 10.944 5.565 1.00 61.23 H new ATOM 0 HA3 GLY A 83 -15.179 10.797 4.750 1.00 61.23 H new ATOM 1219 N TYR A 84 -17.164 12.056 3.244 1.00 43.44 N ATOM 1220 CA TYR A 84 -17.807 12.514 2.018 1.00 72.20 C ATOM 1221 C TYR A 84 -16.894 13.459 1.244 1.00 74.42 C ATOM 1222 O TYR A 84 -15.755 13.702 1.641 1.00 3.45 O ATOM 1223 CB TYR A 84 -19.129 13.215 2.343 1.00 64.04 C ATOM 1224 CG TYR A 84 -18.998 14.295 3.392 1.00 24.55 C ATOM 1225 CD1 TYR A 84 -19.007 13.983 4.745 1.00 34.43 C ATOM 1226 CD2 TYR A 84 -18.864 15.630 3.028 1.00 31.05 C ATOM 1227 CE1 TYR A 84 -18.890 14.969 5.707 1.00 10.40 C ATOM 1228 CE2 TYR A 84 -18.744 16.622 3.983 1.00 13.34 C ATOM 1229 CZ TYR A 84 -18.759 16.286 5.320 1.00 64.15 C ATOM 1230 OH TYR A 84 -18.639 17.270 6.275 1.00 13.32 O ATOM 0 H TYR A 84 -16.969 12.795 3.920 1.00 43.44 H new ATOM 0 HA TYR A 84 -18.008 11.642 1.395 1.00 72.20 H new ATOM 0 HB2 TYR A 84 -19.532 13.653 1.430 1.00 64.04 H new ATOM 0 HB3 TYR A 84 -19.850 12.473 2.686 1.00 64.04 H new ATOM 0 HD1 TYR A 84 -19.107 12.952 5.051 1.00 34.43 H new ATOM 0 HD2 TYR A 84 -18.853 15.896 1.981 1.00 31.05 H new ATOM 0 HE1 TYR A 84 -18.901 14.709 6.755 1.00 10.40 H new ATOM 0 HE2 TYR A 84 -18.639 17.654 3.684 1.00 13.34 H new ATOM 0 HH TYR A 84 -18.554 18.142 5.837 1.00 13.32 H new ATOM 1239 N ALA A 85 -17.404 13.990 0.138 1.00 53.10 N ATOM 1240 CA ALA A 85 -16.637 14.911 -0.692 1.00 50.45 C ATOM 1241 C ALA A 85 -16.668 16.323 -0.118 1.00 31.43 C ATOM 1242 O ALA A 85 -17.738 16.903 0.071 1.00 40.33 O ATOM 1243 CB ALA A 85 -17.171 14.906 -2.118 1.00 64.45 C ATOM 0 H ALA A 85 -18.346 13.798 -0.204 1.00 53.10 H new ATOM 0 HA ALA A 85 -15.600 14.575 -0.703 1.00 50.45 H new ATOM 0 HB1 ALA A 85 -16.589 15.598 -2.727 1.00 64.45 H new ATOM 0 HB2 ALA A 85 -17.090 13.901 -2.533 1.00 64.45 H new ATOM 0 HB3 ALA A 85 -18.216 15.215 -2.116 1.00 64.45 H new ATOM 1249 N ASP A 86 -15.490 16.870 0.158 1.00 73.52 N ATOM 1250 CA ASP A 86 -15.383 18.216 0.710 1.00 64.42 C ATOM 1251 C ASP A 86 -13.923 18.645 0.816 1.00 71.34 C ATOM 1252 O ASP A 86 -13.120 17.995 1.488 1.00 13.11 O ATOM 1253 CB ASP A 86 -16.047 18.280 2.087 1.00 14.32 C ATOM 1254 CG ASP A 86 -16.494 19.682 2.449 1.00 70.04 C ATOM 1255 OD1 ASP A 86 -17.493 20.155 1.869 1.00 4.31 O ATOM 1256 OD2 ASP A 86 -15.845 20.307 3.315 1.00 42.22 O ATOM 0 H ASP A 86 -14.596 16.403 0.009 1.00 73.52 H new ATOM 0 HA ASP A 86 -15.897 18.901 0.035 1.00 64.42 H new ATOM 0 HB2 ASP A 86 -16.908 17.612 2.103 1.00 14.32 H new ATOM 0 HB3 ASP A 86 -15.348 17.918 2.841 1.00 14.32 H new ATOM 1260 N LEU A 87 -13.584 19.742 0.150 1.00 25.02 N ATOM 1261 CA LEU A 87 -12.220 20.259 0.168 1.00 45.33 C ATOM 1262 C LEU A 87 -11.696 20.362 1.596 1.00 64.45 C ATOM 1263 O LEU A 87 -12.472 20.392 2.552 1.00 22.21 O ATOM 1264 CB LEU A 87 -12.163 21.629 -0.510 1.00 62.55 C ATOM 1265 CG LEU A 87 -13.360 22.548 -0.266 1.00 4.31 C ATOM 1266 CD1 LEU A 87 -13.626 22.696 1.223 1.00 50.13 C ATOM 1267 CD2 LEU A 87 -13.127 23.909 -0.906 1.00 41.01 C ATOM 0 H LEU A 87 -14.235 20.292 -0.410 1.00 25.02 H new ATOM 0 HA LEU A 87 -11.587 19.563 -0.382 1.00 45.33 H new ATOM 0 HB2 LEU A 87 -11.262 22.142 -0.173 1.00 62.55 H new ATOM 0 HB3 LEU A 87 -12.060 21.477 -1.584 1.00 62.55 H new ATOM 0 HG LEU A 87 -14.239 22.097 -0.727 1.00 4.31 H new ATOM 0 HD11 LEU A 87 -14.482 23.354 1.376 1.00 50.13 H new ATOM 0 HD12 LEU A 87 -13.839 21.718 1.654 1.00 50.13 H new ATOM 0 HD13 LEU A 87 -12.749 23.123 1.709 1.00 50.13 H new ATOM 0 HD21 LEU A 87 -13.989 24.550 -0.722 1.00 41.01 H new ATOM 0 HD22 LEU A 87 -12.236 24.366 -0.475 1.00 41.01 H new ATOM 0 HD23 LEU A 87 -12.988 23.787 -1.980 1.00 41.01 H new ATOM 1278 N ARG A 88 -10.375 20.419 1.734 1.00 11.34 N ATOM 1279 CA ARG A 88 -9.747 20.521 3.046 1.00 11.44 C ATOM 1280 C ARG A 88 -8.233 20.651 2.916 1.00 4.23 C ATOM 1281 O ARG A 88 -7.616 20.010 2.066 1.00 54.12 O ATOM 1282 CB ARG A 88 -10.093 19.297 3.897 1.00 21.02 C ATOM 1283 CG ARG A 88 -9.372 19.262 5.234 1.00 74.32 C ATOM 1284 CD ARG A 88 -9.840 20.383 6.149 1.00 71.14 C ATOM 1285 NE ARG A 88 -8.782 20.831 7.051 1.00 51.33 N ATOM 1286 CZ ARG A 88 -8.341 20.115 8.080 1.00 32.35 C ATOM 1287 NH1 ARG A 88 -8.864 18.924 8.335 1.00 55.31 N ATOM 1288 NH2 ARG A 88 -7.376 20.590 8.856 1.00 5.21 N ATOM 0 H ARG A 88 -9.719 20.396 0.953 1.00 11.34 H new ATOM 0 HA ARG A 88 -10.130 21.416 3.536 1.00 11.44 H new ATOM 0 HB2 ARG A 88 -11.169 19.280 4.073 1.00 21.02 H new ATOM 0 HB3 ARG A 88 -9.847 18.395 3.337 1.00 21.02 H new ATOM 0 HG2 ARG A 88 -9.545 18.300 5.717 1.00 74.32 H new ATOM 0 HG3 ARG A 88 -8.298 19.348 5.072 1.00 74.32 H new ATOM 0 HD2 ARG A 88 -10.183 21.224 5.546 1.00 71.14 H new ATOM 0 HD3 ARG A 88 -10.694 20.041 6.734 1.00 71.14 H new ATOM 0 HE ARG A 88 -8.359 21.743 6.882 1.00 51.33 H new ATOM 0 HH11 ARG A 88 -9.607 18.555 7.741 1.00 55.31 H new ATOM 0 HH12 ARG A 88 -8.524 18.376 9.125 1.00 55.31 H new ATOM 0 HH21 ARG A 88 -6.971 21.506 8.663 1.00 5.21 H new ATOM 0 HH22 ARG A 88 -7.039 20.039 9.645 1.00 5.21 H new ATOM 1299 N GLU A 89 -7.641 21.488 3.762 1.00 60.54 N ATOM 1300 CA GLU A 89 -6.199 21.704 3.740 1.00 40.22 C ATOM 1301 C GLU A 89 -5.449 20.386 3.916 1.00 31.33 C ATOM 1302 O GLU A 89 -5.306 19.885 5.032 1.00 11.14 O ATOM 1303 CB GLU A 89 -5.790 22.687 4.839 1.00 14.32 C ATOM 1304 CG GLU A 89 -6.413 24.064 4.686 1.00 55.30 C ATOM 1305 CD GLU A 89 -5.703 25.120 5.510 1.00 44.22 C ATOM 1306 OE1 GLU A 89 -4.634 25.595 5.072 1.00 31.25 O ATOM 1307 OE2 GLU A 89 -6.216 25.472 6.593 1.00 52.33 O ATOM 0 H GLU A 89 -8.138 22.028 4.471 1.00 60.54 H new ATOM 0 HA GLU A 89 -5.936 22.126 2.770 1.00 40.22 H new ATOM 0 HB2 GLU A 89 -6.073 22.275 5.807 1.00 14.32 H new ATOM 0 HB3 GLU A 89 -4.705 22.787 4.840 1.00 14.32 H new ATOM 0 HG2 GLU A 89 -6.392 24.353 3.635 1.00 55.30 H new ATOM 0 HG3 GLU A 89 -7.461 24.020 4.984 1.00 55.30 H new ATOM 1312 N ASP A 90 -4.974 19.830 2.807 1.00 72.25 N ATOM 1313 CA ASP A 90 -4.238 18.571 2.838 1.00 74.21 C ATOM 1314 C ASP A 90 -3.104 18.629 3.857 1.00 74.10 C ATOM 1315 O ASP A 90 -2.637 19.700 4.242 1.00 32.25 O ATOM 1316 CB ASP A 90 -3.679 18.248 1.452 1.00 2.02 C ATOM 1317 CG ASP A 90 -3.160 19.480 0.737 1.00 5.40 C ATOM 1318 OD1 ASP A 90 -2.665 20.400 1.421 1.00 71.22 O ATOM 1319 OD2 ASP A 90 -3.247 19.523 -0.508 1.00 13.34 O ATOM 0 H ASP A 90 -5.085 20.231 1.876 1.00 72.25 H new ATOM 0 HA ASP A 90 -4.929 17.782 3.135 1.00 74.21 H new ATOM 0 HB2 ASP A 90 -2.873 17.521 1.549 1.00 2.02 H new ATOM 0 HB3 ASP A 90 -4.458 17.782 0.849 1.00 2.02 H new ATOM 1323 N PRO A 91 -2.651 17.449 4.307 1.00 11.31 N ATOM 1324 CA PRO A 91 -1.568 17.339 5.287 1.00 44.14 C ATOM 1325 C PRO A 91 -0.218 17.747 4.708 1.00 1.34 C ATOM 1326 O PRO A 91 0.605 16.897 4.367 1.00 1.34 O ATOM 1327 CB PRO A 91 -1.566 15.851 5.648 1.00 34.52 C ATOM 1328 CG PRO A 91 -2.154 15.172 4.460 1.00 41.34 C ATOM 1329 CD PRO A 91 -3.162 16.132 3.891 1.00 32.10 C ATOM 0 HA PRO A 91 -1.723 17.999 6.140 1.00 44.14 H new ATOM 0 HB2 PRO A 91 -0.556 15.494 5.848 1.00 34.52 H new ATOM 0 HB3 PRO A 91 -2.155 15.660 6.545 1.00 34.52 H new ATOM 0 HG2 PRO A 91 -1.384 14.934 3.726 1.00 41.34 H new ATOM 0 HG3 PRO A 91 -2.627 14.231 4.742 1.00 41.34 H new ATOM 0 HD2 PRO A 91 -3.227 16.050 2.806 1.00 32.10 H new ATOM 0 HD3 PRO A 91 -4.161 15.946 4.285 1.00 32.10 H new ATOM 1334 N ASP A 92 0.004 19.052 4.600 1.00 24.04 N ATOM 1335 CA ASP A 92 1.255 19.574 4.063 1.00 50.22 C ATOM 1336 C ASP A 92 1.275 21.099 4.113 1.00 54.21 C ATOM 1337 O ASP A 92 0.253 21.750 3.895 1.00 34.05 O ATOM 1338 CB ASP A 92 1.456 19.096 2.625 1.00 4.40 C ATOM 1339 CG ASP A 92 0.162 19.075 1.835 1.00 24.44 C ATOM 1340 OD1 ASP A 92 -0.586 18.083 1.950 1.00 14.31 O ATOM 1341 OD2 ASP A 92 -0.102 20.052 1.102 1.00 75.21 O ATOM 0 H ASP A 92 -0.667 19.769 4.878 1.00 24.04 H new ATOM 0 HA ASP A 92 2.071 19.198 4.680 1.00 50.22 H new ATOM 0 HB2 ASP A 92 2.173 19.748 2.125 1.00 4.40 H new ATOM 0 HB3 ASP A 92 1.888 18.095 2.635 1.00 4.40 H new ATOM 1345 N ARG A 93 2.444 21.662 4.402 1.00 74.05 N ATOM 1346 CA ARG A 93 2.595 23.109 4.484 1.00 45.43 C ATOM 1347 C ARG A 93 3.081 23.680 3.154 1.00 32.22 C ATOM 1348 O ARG A 93 3.141 22.972 2.149 1.00 43.15 O ATOM 1349 CB ARG A 93 3.575 23.479 5.598 1.00 21.51 C ATOM 1350 CG ARG A 93 3.271 22.804 6.925 1.00 33.51 C ATOM 1351 CD ARG A 93 4.361 23.075 7.951 1.00 14.02 C ATOM 1352 NE ARG A 93 5.401 22.051 7.928 1.00 21.43 N ATOM 1353 CZ ARG A 93 6.600 22.209 8.479 1.00 0.12 C ATOM 1354 NH1 ARG A 93 6.907 23.344 9.093 1.00 13.21 N ATOM 1355 NH2 ARG A 93 7.494 21.231 8.416 1.00 13.21 N ATOM 0 H ARG A 93 3.300 21.138 4.583 1.00 74.05 H new ATOM 0 HA ARG A 93 1.619 23.539 4.711 1.00 45.43 H new ATOM 0 HB2 ARG A 93 4.584 23.211 5.286 1.00 21.51 H new ATOM 0 HB3 ARG A 93 3.561 24.560 5.738 1.00 21.51 H new ATOM 0 HG2 ARG A 93 2.314 23.162 7.306 1.00 33.51 H new ATOM 0 HG3 ARG A 93 3.172 21.729 6.773 1.00 33.51 H new ATOM 0 HD2 ARG A 93 4.808 24.050 7.756 1.00 14.02 H new ATOM 0 HD3 ARG A 93 3.919 23.120 8.946 1.00 14.02 H new ATOM 0 HE ARG A 93 5.196 21.166 7.464 1.00 21.43 H new ATOM 0 HH11 ARG A 93 6.222 24.098 9.143 1.00 13.21 H new ATOM 0 HH12 ARG A 93 7.828 23.463 9.515 1.00 13.21 H new ATOM 0 HH21 ARG A 93 7.261 20.357 7.944 1.00 13.21 H new ATOM 0 HH22 ARG A 93 8.414 21.353 8.839 1.00 13.21 H new ATOM 1366 N GLN A 94 3.424 24.964 3.158 1.00 41.10 N ATOM 1367 CA GLN A 94 3.903 25.630 1.952 1.00 63.14 C ATOM 1368 C GLN A 94 5.364 25.284 1.683 1.00 13.51 C ATOM 1369 O GLN A 94 6.114 24.957 2.603 1.00 40.22 O ATOM 1370 CB GLN A 94 3.741 27.145 2.082 1.00 23.40 C ATOM 1371 CG GLN A 94 4.756 27.788 3.015 1.00 11.44 C ATOM 1372 CD GLN A 94 4.530 29.277 3.186 1.00 20.02 C ATOM 1373 OE1 GLN A 94 5.428 30.084 2.947 1.00 62.02 O ATOM 1374 NE2 GLN A 94 3.324 29.649 3.601 1.00 61.21 N ATOM 0 H GLN A 94 3.379 25.564 3.982 1.00 41.10 H new ATOM 0 HA GLN A 94 3.305 25.279 1.111 1.00 63.14 H new ATOM 0 HB2 GLN A 94 3.830 27.598 1.094 1.00 23.40 H new ATOM 0 HB3 GLN A 94 2.737 27.365 2.444 1.00 23.40 H new ATOM 0 HG2 GLN A 94 4.706 27.303 3.990 1.00 11.44 H new ATOM 0 HG3 GLN A 94 5.760 27.619 2.625 1.00 11.44 H new ATOM 0 HE21 GLN A 94 2.609 28.946 3.787 1.00 61.21 H new ATOM 0 HE22 GLN A 94 3.113 30.638 3.733 1.00 61.21 H new ATOM 1381 N ASP A 95 5.760 25.357 0.417 1.00 23.40 N ATOM 1382 CA ASP A 95 7.132 25.053 0.027 1.00 50.41 C ATOM 1383 C ASP A 95 7.435 25.597 -1.365 1.00 22.02 C ATOM 1384 O ASP A 95 6.574 26.200 -2.008 1.00 53.53 O ATOM 1385 CB ASP A 95 7.371 23.542 0.060 1.00 61.30 C ATOM 1386 CG ASP A 95 7.854 23.062 1.414 1.00 62.23 C ATOM 1387 OD1 ASP A 95 8.670 23.771 2.040 1.00 2.05 O ATOM 1388 OD2 ASP A 95 7.416 21.977 1.850 1.00 50.52 O ATOM 0 H ASP A 95 5.151 25.624 -0.356 1.00 23.40 H new ATOM 0 HA ASP A 95 7.801 25.535 0.740 1.00 50.41 H new ATOM 0 HB2 ASP A 95 6.446 23.025 -0.197 1.00 61.30 H new ATOM 0 HB3 ASP A 95 8.106 23.277 -0.700 1.00 61.30 H new ATOM 1392 N HIS A 96 8.663 25.382 -1.825 1.00 2.22 N ATOM 1393 CA HIS A 96 9.079 25.852 -3.143 1.00 23.40 C ATOM 1394 C HIS A 96 10.488 25.368 -3.472 1.00 42.33 C ATOM 1395 O HIS A 96 11.161 24.766 -2.634 1.00 70.22 O ATOM 1396 CB HIS A 96 9.025 27.379 -3.202 1.00 2.31 C ATOM 1397 CG HIS A 96 9.918 28.050 -2.204 1.00 42.14 C ATOM 1398 ND1 HIS A 96 9.722 27.964 -0.843 1.00 73.32 N ATOM 1399 CD2 HIS A 96 11.018 28.819 -2.377 1.00 53.12 C ATOM 1400 CE1 HIS A 96 10.661 28.653 -0.220 1.00 20.24 C ATOM 1401 NE2 HIS A 96 11.461 29.182 -1.129 1.00 72.22 N ATOM 0 H HIS A 96 9.387 24.886 -1.306 1.00 2.22 H new ATOM 0 HA HIS A 96 8.391 25.442 -3.883 1.00 23.40 H new ATOM 0 HB2 HIS A 96 9.304 27.706 -4.204 1.00 2.31 H new ATOM 0 HB3 HIS A 96 7.998 27.705 -3.035 1.00 2.31 H new ATOM 0 HD2 HIS A 96 11.464 29.096 -3.321 1.00 53.12 H new ATOM 0 HE1 HIS A 96 10.758 28.765 0.850 1.00 20.24 H new ATOM 0 HE2 HIS A 96 12.275 29.765 -0.935 1.00 72.22 H new ATOM 1408 N HIS A 97 10.929 25.633 -4.698 1.00 74.21 N ATOM 1409 CA HIS A 97 12.258 25.224 -5.138 1.00 35.12 C ATOM 1410 C HIS A 97 12.549 25.745 -6.542 1.00 63.31 C ATOM 1411 O HIS A 97 12.554 24.997 -7.519 1.00 1.12 O ATOM 1412 CB HIS A 97 12.380 23.700 -5.111 1.00 21.04 C ATOM 1413 CG HIS A 97 13.782 23.215 -4.906 1.00 24.13 C ATOM 1414 ND1 HIS A 97 14.201 22.590 -3.751 1.00 72.34 N ATOM 1415 CD2 HIS A 97 14.864 23.265 -5.718 1.00 62.22 C ATOM 1416 CE1 HIS A 97 15.480 22.278 -3.860 1.00 23.22 C ATOM 1417 NE2 HIS A 97 15.906 22.677 -5.045 1.00 42.40 N ATOM 0 H HIS A 97 10.385 26.129 -5.404 1.00 74.21 H new ATOM 0 HA HIS A 97 12.989 25.652 -4.452 1.00 35.12 H new ATOM 0 HB2 HIS A 97 11.748 23.307 -4.314 1.00 21.04 H new ATOM 0 HB3 HIS A 97 11.998 23.296 -6.049 1.00 21.04 H new ATOM 0 HD2 HIS A 97 14.901 23.689 -6.711 1.00 62.22 H new ATOM 0 HE1 HIS A 97 16.076 21.781 -3.108 1.00 23.22 H new ATOM 0 HE2 HIS A 97 16.855 22.566 -5.402 1.00 42.40 H new ATOM 1424 N PRO A 98 12.799 27.059 -6.646 1.00 40.14 N ATOM 1425 CA PRO A 98 13.096 27.710 -7.925 1.00 51.35 C ATOM 1426 C PRO A 98 14.459 27.306 -8.477 1.00 24.43 C ATOM 1427 O PRO A 98 15.109 26.402 -7.955 1.00 41.32 O ATOM 1428 CB PRO A 98 13.078 29.200 -7.578 1.00 13.31 C ATOM 1429 CG PRO A 98 13.402 29.254 -6.125 1.00 31.33 C ATOM 1430 CD PRO A 98 12.811 28.011 -5.522 1.00 13.53 C ATOM 0 HA PRO A 98 12.382 27.432 -8.700 1.00 51.35 H new ATOM 0 HB2 PRO A 98 13.809 29.753 -8.168 1.00 13.31 H new ATOM 0 HB3 PRO A 98 12.103 29.643 -7.783 1.00 13.31 H new ATOM 0 HG2 PRO A 98 14.480 29.290 -5.967 1.00 31.33 H new ATOM 0 HG3 PRO A 98 12.982 30.148 -5.665 1.00 31.33 H new ATOM 0 HD2 PRO A 98 13.412 27.643 -4.690 1.00 13.53 H new ATOM 0 HD3 PRO A 98 11.807 28.190 -5.136 1.00 13.53 H new ATOM 1435 N GLY A 99 14.889 27.987 -9.537 1.00 34.30 N ATOM 1436 CA GLY A 99 16.173 27.685 -10.141 1.00 23.23 C ATOM 1437 C GLY A 99 16.900 28.931 -10.609 1.00 71.22 C ATOM 1438 O GLY A 99 16.546 30.046 -10.225 1.00 14.54 O ATOM 0 H GLY A 99 14.371 28.742 -9.987 1.00 34.30 H new ATOM 0 HA2 GLY A 99 16.795 27.154 -9.420 1.00 23.23 H new ATOM 0 HA3 GLY A 99 16.024 27.015 -10.988 1.00 23.23 H new ATOM 1442 N SER A 100 17.922 28.741 -11.438 1.00 30.53 N ATOM 1443 CA SER A 100 18.704 29.859 -11.953 1.00 63.00 C ATOM 1444 C SER A 100 19.740 29.375 -12.964 1.00 23.51 C ATOM 1445 O SER A 100 20.449 28.400 -12.724 1.00 4.10 O ATOM 1446 CB SER A 100 19.399 30.595 -10.806 1.00 11.03 C ATOM 1447 OG SER A 100 20.189 29.706 -10.034 1.00 11.23 O ATOM 0 H SER A 100 18.227 27.825 -11.767 1.00 30.53 H new ATOM 0 HA SER A 100 18.023 30.546 -12.455 1.00 63.00 H new ATOM 0 HB2 SER A 100 20.028 31.390 -11.208 1.00 11.03 H new ATOM 0 HB3 SER A 100 18.653 31.070 -10.169 1.00 11.03 H new ATOM 0 HG SER A 100 20.624 30.201 -9.309 1.00 11.23 H new ATOM 1452 N GLY A 101 19.819 30.067 -14.097 1.00 40.01 N ATOM 1453 CA GLY A 101 20.771 29.694 -15.128 1.00 15.04 C ATOM 1454 C GLY A 101 22.020 30.552 -15.102 1.00 75.05 C ATOM 1455 O GLY A 101 22.254 31.290 -14.146 1.00 20.40 O ATOM 0 H GLY A 101 19.242 30.878 -14.319 1.00 40.01 H new ATOM 0 HA2 GLY A 101 21.050 28.648 -14.999 1.00 15.04 H new ATOM 0 HA3 GLY A 101 20.296 29.779 -16.105 1.00 15.04 H new ATOM 1459 N ALA A 102 22.826 30.453 -16.154 1.00 15.30 N ATOM 1460 CA ALA A 102 24.058 31.225 -16.248 1.00 21.21 C ATOM 1461 C ALA A 102 24.739 31.011 -17.595 1.00 62.15 C ATOM 1462 O ALA A 102 24.580 29.963 -18.221 1.00 30.31 O ATOM 1463 CB ALA A 102 25.001 30.856 -15.112 1.00 72.12 C ATOM 0 H ALA A 102 22.647 29.845 -16.953 1.00 15.30 H new ATOM 0 HA ALA A 102 23.803 32.281 -16.164 1.00 21.21 H new ATOM 0 HB1 ALA A 102 25.917 31.441 -15.195 1.00 72.12 H new ATOM 0 HB2 ALA A 102 24.521 31.068 -14.157 1.00 72.12 H new ATOM 0 HB3 ALA A 102 25.242 29.794 -15.169 1.00 72.12 H new ATOM 1469 N GLN A 103 25.499 32.009 -18.034 1.00 11.23 N ATOM 1470 CA GLN A 103 26.203 31.928 -19.309 1.00 23.22 C ATOM 1471 C GLN A 103 27.301 30.870 -19.258 1.00 10.23 C ATOM 1472 O GLN A 103 28.182 30.833 -20.117 1.00 51.20 O ATOM 1473 CB GLN A 103 26.805 33.287 -19.670 1.00 61.33 C ATOM 1474 CG GLN A 103 25.874 34.167 -20.488 1.00 44.12 C ATOM 1475 CD GLN A 103 26.097 35.646 -20.238 1.00 74.25 C ATOM 1476 OE1 GLN A 103 25.536 36.219 -19.304 1.00 64.35 O ATOM 1477 NE2 GLN A 103 26.919 36.271 -21.072 1.00 61.04 N ATOM 0 H GLN A 103 25.643 32.882 -17.527 1.00 11.23 H new ATOM 0 HA GLN A 103 25.483 31.642 -20.076 1.00 23.22 H new ATOM 0 HB2 GLN A 103 27.074 33.811 -18.753 1.00 61.33 H new ATOM 0 HB3 GLN A 103 27.727 33.129 -20.229 1.00 61.33 H new ATOM 0 HG2 GLN A 103 26.019 33.956 -21.548 1.00 44.12 H new ATOM 0 HG3 GLN A 103 24.840 33.914 -20.251 1.00 44.12 H new ATOM 0 HE21 GLN A 103 27.362 35.756 -21.833 1.00 61.04 H new ATOM 0 HE22 GLN A 103 27.107 37.266 -20.952 1.00 61.04 H new TER 1484 GLN A 103