USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 773 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.287 F(o=-1.3,f=-0.29) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 125:sc= 0.951 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.29 K(o=-1.3,f=-4!) USER MOD Single : A 32 THR OG1 : rot 155:sc= 0.321 USER MOD Single : A 36 ASN : amide:sc= -1.87! C(o=-1.9!,f=-6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0247) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -0.0451 (180deg=-0.871) USER MOD Single : A 49 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-6.7!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 51 SER OG : rot 15:sc= 0.85 USER MOD Single : A 52 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.32) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -109:sc= -4.44! (180deg=-7.27!) USER MOD Single : A 61 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 78.680 -1.081 -9.695 1.00 0.00 N ATOM 2 CA PRO A 1 78.831 -1.639 -11.074 1.00 0.00 C ATOM 3 C PRO A 1 78.215 -0.677 -12.092 1.00 0.00 C ATOM 4 O PRO A 1 78.037 0.494 -11.824 1.00 0.00 O ATOM 5 CB PRO A 1 78.103 -2.982 -11.129 1.00 0.00 C ATOM 6 CG PRO A 1 77.503 -3.228 -9.751 1.00 0.00 C ATOM 7 CD PRO A 1 77.870 -2.033 -8.875 1.00 0.00 C ATOM 0 H2 PRO A 1 78.224 -0.169 -9.731 1.00 0.00 H new ATOM 0 H3 PRO A 1 79.596 -0.939 -9.269 1.00 0.00 H new ATOM 0 HA PRO A 1 79.886 -1.772 -11.312 1.00 0.00 H new ATOM 0 HB2 PRO A 1 77.323 -2.966 -11.890 1.00 0.00 H new ATOM 0 HB3 PRO A 1 78.793 -3.782 -11.396 1.00 0.00 H new ATOM 0 HG2 PRO A 1 76.421 -3.337 -9.817 1.00 0.00 H new ATOM 0 HG3 PRO A 1 77.891 -4.152 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 1 76.970 -1.543 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 1 78.437 -2.361 -8.004 1.00 0.00 H new ATOM 17 N ILE A 2 77.886 -1.164 -13.257 1.00 0.00 N ATOM 18 CA ILE A 2 77.280 -0.284 -14.289 1.00 0.00 C ATOM 19 C ILE A 2 76.456 -1.133 -15.258 1.00 0.00 C ATOM 20 O ILE A 2 76.728 -2.299 -15.463 1.00 0.00 O ATOM 21 CB ILE A 2 78.384 0.444 -15.059 1.00 0.00 C ATOM 22 CG1 ILE A 2 79.563 0.722 -14.124 1.00 0.00 C ATOM 23 CG2 ILE A 2 77.842 1.767 -15.601 1.00 0.00 C ATOM 24 CD1 ILE A 2 80.682 1.416 -14.902 1.00 0.00 C ATOM 0 H ILE A 2 78.012 -2.137 -13.537 1.00 0.00 H new ATOM 0 HA ILE A 2 76.635 0.450 -13.806 1.00 0.00 H new ATOM 0 HB ILE A 2 78.717 -0.180 -15.888 1.00 0.00 H new ATOM 0 HG12 ILE A 2 79.241 1.349 -13.293 1.00 0.00 H new ATOM 0 HG13 ILE A 2 79.929 -0.211 -13.696 1.00 0.00 H new ATOM 0 HG21 ILE A 2 78.629 2.285 -16.149 1.00 0.00 H new ATOM 0 HG22 ILE A 2 77.003 1.570 -16.269 1.00 0.00 H new ATOM 0 HG23 ILE A 2 77.507 2.390 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 2 81.521 1.613 -14.235 1.00 0.00 H new ATOM 0 HD12 ILE A 2 81.011 0.773 -15.718 1.00 0.00 H new ATOM 0 HD13 ILE A 2 80.313 2.357 -15.309 1.00 0.00 H new ATOM 36 N THR A 3 75.449 -0.559 -15.855 1.00 0.00 N ATOM 37 CA THR A 3 74.610 -1.331 -16.806 1.00 0.00 C ATOM 38 C THR A 3 73.592 -0.401 -17.479 1.00 0.00 C ATOM 39 O THR A 3 73.738 0.806 -17.475 1.00 0.00 O ATOM 40 CB THR A 3 73.904 -2.479 -16.056 1.00 0.00 C ATOM 41 OG1 THR A 3 73.846 -3.619 -16.900 1.00 0.00 O ATOM 42 CG2 THR A 3 72.480 -2.083 -15.646 1.00 0.00 C ATOM 0 H THR A 3 75.172 0.414 -15.723 1.00 0.00 H new ATOM 0 HA THR A 3 75.239 -1.763 -17.584 1.00 0.00 H new ATOM 0 HB THR A 3 74.472 -2.701 -15.153 1.00 0.00 H new ATOM 0 HG1 THR A 3 73.400 -4.353 -16.428 1.00 0.00 H new ATOM 0 HG21 THR A 3 72.009 -2.913 -15.120 1.00 0.00 H new ATOM 0 HG22 THR A 3 72.519 -1.213 -14.991 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.899 -1.841 -16.536 1.00 0.00 H new ATOM 50 N LYS A 4 72.568 -0.959 -18.062 1.00 0.00 N ATOM 51 CA LYS A 4 71.543 -0.119 -18.743 1.00 0.00 C ATOM 52 C LYS A 4 70.936 0.878 -17.752 1.00 0.00 C ATOM 53 O LYS A 4 71.221 2.058 -17.794 1.00 0.00 O ATOM 54 CB LYS A 4 70.437 -1.019 -19.298 1.00 0.00 C ATOM 55 CG LYS A 4 70.746 -1.368 -20.756 1.00 0.00 C ATOM 56 CD LYS A 4 70.647 -2.882 -20.951 1.00 0.00 C ATOM 57 CE LYS A 4 72.052 -3.489 -20.953 1.00 0.00 C ATOM 58 NZ LYS A 4 72.097 -4.635 -21.904 1.00 0.00 N ATOM 0 H LYS A 4 72.396 -1.964 -18.096 1.00 0.00 H new ATOM 0 HA LYS A 4 72.016 0.431 -19.557 1.00 0.00 H new ATOM 0 HB2 LYS A 4 70.362 -1.929 -18.703 1.00 0.00 H new ATOM 0 HB3 LYS A 4 69.474 -0.513 -19.230 1.00 0.00 H new ATOM 0 HG2 LYS A 4 70.046 -0.859 -21.419 1.00 0.00 H new ATOM 0 HG3 LYS A 4 71.745 -1.021 -21.020 1.00 0.00 H new ATOM 0 HD2 LYS A 4 70.050 -3.324 -20.154 1.00 0.00 H new ATOM 0 HD3 LYS A 4 70.141 -3.106 -21.890 1.00 0.00 H new ATOM 0 HE2 LYS A 4 72.785 -2.735 -21.240 1.00 0.00 H new ATOM 0 HE3 LYS A 4 72.316 -3.824 -19.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 73.052 -5.048 -21.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 71.408 -5.357 -21.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 71.863 -4.302 -22.861 1.00 0.00 H new ATOM 72 N GLU A 5 70.090 0.417 -16.869 1.00 0.00 N ATOM 73 CA GLU A 5 69.457 1.342 -15.891 1.00 0.00 C ATOM 74 C GLU A 5 70.328 1.473 -14.650 1.00 0.00 C ATOM 75 O GLU A 5 69.890 1.909 -13.604 1.00 0.00 O ATOM 76 CB GLU A 5 68.089 0.804 -15.493 1.00 0.00 C ATOM 77 CG GLU A 5 66.994 1.708 -16.063 1.00 0.00 C ATOM 78 CD GLU A 5 65.630 1.045 -15.867 1.00 0.00 C ATOM 79 OE1 GLU A 5 65.417 0.477 -14.808 1.00 0.00 O ATOM 80 OE2 GLU A 5 64.822 1.114 -16.778 1.00 0.00 O ATOM 0 H GLU A 5 69.812 -0.561 -16.785 1.00 0.00 H new ATOM 0 HA GLU A 5 69.347 2.323 -16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 5 67.965 -0.213 -15.865 1.00 0.00 H new ATOM 0 HB3 GLU A 5 68.007 0.758 -14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 5 67.013 2.678 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 5 67.173 1.889 -17.123 1.00 0.00 H new ATOM 87 N GLU A 6 71.558 1.110 -14.772 1.00 0.00 N ATOM 88 CA GLU A 6 72.489 1.215 -13.622 1.00 0.00 C ATOM 89 C GLU A 6 73.152 2.584 -13.631 1.00 0.00 C ATOM 90 O GLU A 6 73.974 2.908 -12.797 1.00 0.00 O ATOM 91 CB GLU A 6 73.550 0.130 -13.731 1.00 0.00 C ATOM 92 CG GLU A 6 73.073 -1.131 -13.006 1.00 0.00 C ATOM 93 CD GLU A 6 73.275 -0.960 -11.500 1.00 0.00 C ATOM 94 OE1 GLU A 6 74.364 -1.250 -11.030 1.00 0.00 O ATOM 95 OE2 GLU A 6 72.338 -0.543 -10.839 1.00 0.00 O ATOM 0 H GLU A 6 71.970 0.739 -15.628 1.00 0.00 H new ATOM 0 HA GLU A 6 71.937 1.088 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 6 73.749 -0.094 -14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 6 74.487 0.479 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 6 72.021 -1.313 -13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 6 73.627 -2.000 -13.362 1.00 0.00 H new ATOM 102 N LYS A 7 72.785 3.378 -14.574 1.00 0.00 N ATOM 103 CA LYS A 7 73.357 4.743 -14.688 1.00 0.00 C ATOM 104 C LYS A 7 72.245 5.749 -15.011 1.00 0.00 C ATOM 105 O LYS A 7 72.490 6.932 -15.145 1.00 0.00 O ATOM 106 CB LYS A 7 74.403 4.767 -15.803 1.00 0.00 C ATOM 107 CG LYS A 7 75.749 4.294 -15.252 1.00 0.00 C ATOM 108 CD LYS A 7 76.727 5.469 -15.210 1.00 0.00 C ATOM 109 CE LYS A 7 77.760 5.315 -16.328 1.00 0.00 C ATOM 110 NZ LYS A 7 77.891 6.604 -17.065 1.00 0.00 N ATOM 0 H LYS A 7 72.098 3.141 -15.290 1.00 0.00 H new ATOM 0 HA LYS A 7 73.824 5.015 -13.742 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.088 4.124 -16.625 1.00 0.00 H new ATOM 0 HB3 LYS A 7 74.497 5.775 -16.206 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.619 3.880 -14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.150 3.496 -15.878 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.188 6.409 -15.326 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.226 5.506 -14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 7 78.723 5.023 -15.910 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.456 4.522 -17.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.593 6.500 -17.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.972 6.864 -17.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 78.200 7.349 -16.409 1.00 0.00 H new ATOM 124 N GLN A 8 71.025 5.296 -15.139 1.00 0.00 N ATOM 125 CA GLN A 8 69.912 6.235 -15.455 1.00 0.00 C ATOM 126 C GLN A 8 69.940 7.411 -14.476 1.00 0.00 C ATOM 127 O GLN A 8 69.577 8.520 -14.814 1.00 0.00 O ATOM 128 CB GLN A 8 68.575 5.502 -15.334 1.00 0.00 C ATOM 129 CG GLN A 8 68.116 5.044 -16.720 1.00 0.00 C ATOM 130 CD GLN A 8 67.905 6.265 -17.616 1.00 0.00 C ATOM 131 OE1 GLN A 8 66.979 7.026 -17.418 1.00 0.00 O ATOM 132 NE2 GLN A 8 68.730 6.485 -18.604 1.00 0.00 N ATOM 0 H GLN A 8 70.753 4.318 -15.038 1.00 0.00 H new ATOM 0 HA GLN A 8 70.031 6.608 -16.472 1.00 0.00 H new ATOM 0 HB2 GLN A 8 68.678 4.643 -14.671 1.00 0.00 H new ATOM 0 HB3 GLN A 8 67.827 6.159 -14.890 1.00 0.00 H new ATOM 0 HG2 GLN A 8 68.860 4.381 -17.161 1.00 0.00 H new ATOM 0 HG3 GLN A 8 67.190 4.475 -16.639 1.00 0.00 H new ATOM 0 HE21 GLN A 8 69.508 5.846 -18.771 1.00 0.00 H new ATOM 0 HE22 GLN A 8 68.597 7.295 -19.209 1.00 0.00 H new ATOM 141 N LYS A 9 70.367 7.178 -13.265 1.00 0.00 N ATOM 142 CA LYS A 9 70.415 8.286 -12.270 1.00 0.00 C ATOM 143 C LYS A 9 70.890 7.745 -10.920 1.00 0.00 C ATOM 144 O LYS A 9 70.490 8.219 -9.875 1.00 0.00 O ATOM 145 CB LYS A 9 69.020 8.888 -12.111 1.00 0.00 C ATOM 146 CG LYS A 9 68.021 7.778 -11.778 1.00 0.00 C ATOM 147 CD LYS A 9 66.605 8.245 -12.120 1.00 0.00 C ATOM 148 CE LYS A 9 65.767 8.318 -10.842 1.00 0.00 C ATOM 149 NZ LYS A 9 65.133 6.994 -10.587 1.00 0.00 N ATOM 0 H LYS A 9 70.684 6.271 -12.922 1.00 0.00 H new ATOM 0 HA LYS A 9 71.107 9.053 -12.617 1.00 0.00 H new ATOM 0 HB2 LYS A 9 69.024 9.638 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.724 9.395 -13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.263 6.876 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.085 7.522 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.640 9.223 -12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.146 7.557 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.396 8.601 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.001 9.087 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.563 7.043 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.520 6.742 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.872 6.271 -10.476 1.00 0.00 H new ATOM 163 N VAL A 10 71.739 6.758 -10.933 1.00 0.00 N ATOM 164 CA VAL A 10 72.239 6.187 -9.656 1.00 0.00 C ATOM 165 C VAL A 10 73.358 7.070 -9.106 1.00 0.00 C ATOM 166 O VAL A 10 73.207 7.727 -8.095 1.00 0.00 O ATOM 167 CB VAL A 10 72.778 4.777 -9.903 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.520 4.287 -8.659 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.611 3.833 -10.204 1.00 0.00 C ATOM 0 H VAL A 10 72.109 6.321 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 10 71.423 6.143 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 10 73.463 4.794 -10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.904 3.282 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.350 4.959 -8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.836 4.270 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.993 2.827 -10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.927 3.818 -9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 10 71.081 4.181 -11.091 1.00 0.00 H new ATOM 179 N ILE A 11 74.482 7.084 -9.762 1.00 0.00 N ATOM 180 CA ILE A 11 75.616 7.914 -9.282 1.00 0.00 C ATOM 181 C ILE A 11 75.311 9.384 -9.523 1.00 0.00 C ATOM 182 O ILE A 11 75.509 10.231 -8.677 1.00 0.00 O ATOM 183 CB ILE A 11 76.900 7.511 -10.018 1.00 0.00 C ATOM 184 CG1 ILE A 11 77.120 8.310 -11.317 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.859 6.022 -10.347 1.00 0.00 C ATOM 186 CD1 ILE A 11 76.267 7.743 -12.446 1.00 0.00 C ATOM 0 H ILE A 11 74.664 6.553 -10.614 1.00 0.00 H new ATOM 0 HA ILE A 11 75.757 7.753 -8.213 1.00 0.00 H new ATOM 0 HB ILE A 11 77.732 7.736 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.867 9.358 -11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.173 8.276 -11.597 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.773 5.740 -10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.777 5.448 -9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.998 5.813 -10.982 1.00 0.00 H new ATOM 0 HD11 ILE A 11 76.436 8.320 -13.355 1.00 0.00 H new ATOM 0 HD12 ILE A 11 76.540 6.702 -12.621 1.00 0.00 H new ATOM 0 HD13 ILE A 11 75.214 7.800 -12.170 1.00 0.00 H new ATOM 198 N GLN A 12 74.843 9.677 -10.689 1.00 0.00 N ATOM 199 CA GLN A 12 74.510 11.090 -11.051 1.00 0.00 C ATOM 200 C GLN A 12 73.953 11.786 -9.814 1.00 0.00 C ATOM 201 O GLN A 12 74.231 12.938 -9.545 1.00 0.00 O ATOM 202 CB GLN A 12 73.458 11.102 -12.164 1.00 0.00 C ATOM 203 CG GLN A 12 74.153 11.201 -13.524 1.00 0.00 C ATOM 204 CD GLN A 12 73.210 10.697 -14.617 1.00 0.00 C ATOM 205 OE1 GLN A 12 72.737 9.482 -14.545 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 72.899 11.415 -15.545 1.00 0.00 N flip ATOM 0 H GLN A 12 74.670 8.995 -11.427 1.00 0.00 H new ATOM 0 HA GLN A 12 75.403 11.607 -11.402 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.854 10.196 -12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 12 72.780 11.944 -12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 12 74.439 12.234 -13.724 1.00 0.00 H new ATOM 0 HG3 GLN A 12 75.070 10.611 -13.520 1.00 0.00 H new ATOM 0 HE21 GLN A 12 73.268 12.364 -15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 12 72.268 11.069 -16.268 1.00 0.00 H new ATOM 215 N GLU A 13 73.194 11.063 -9.044 1.00 0.00 N ATOM 216 CA GLU A 13 72.632 11.627 -7.794 1.00 0.00 C ATOM 217 C GLU A 13 73.587 11.314 -6.636 1.00 0.00 C ATOM 218 O GLU A 13 73.762 12.100 -5.726 1.00 0.00 O ATOM 219 CB GLU A 13 71.264 10.999 -7.516 1.00 0.00 C ATOM 220 CG GLU A 13 70.354 11.199 -8.730 1.00 0.00 C ATOM 221 CD GLU A 13 68.998 11.734 -8.268 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.682 11.565 -7.102 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.297 12.304 -9.088 1.00 0.00 O ATOM 0 H GLU A 13 72.937 10.094 -9.232 1.00 0.00 H new ATOM 0 HA GLU A 13 72.515 12.706 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 13 71.377 9.936 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.816 11.455 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.813 11.897 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.223 10.255 -9.259 1.00 0.00 H new ATOM 230 N PHE A 14 74.189 10.153 -6.662 1.00 0.00 N ATOM 231 CA PHE A 14 75.118 9.752 -5.571 1.00 0.00 C ATOM 232 C PHE A 14 76.544 10.243 -5.851 1.00 0.00 C ATOM 233 O PHE A 14 77.098 11.003 -5.085 1.00 0.00 O ATOM 234 CB PHE A 14 75.120 8.228 -5.452 1.00 0.00 C ATOM 235 CG PHE A 14 74.026 7.797 -4.505 1.00 0.00 C ATOM 236 CD1 PHE A 14 74.116 8.112 -3.144 1.00 0.00 C ATOM 237 CD2 PHE A 14 72.921 7.085 -4.987 1.00 0.00 C ATOM 238 CE1 PHE A 14 73.102 7.716 -2.264 1.00 0.00 C ATOM 239 CE2 PHE A 14 71.907 6.689 -4.107 1.00 0.00 C ATOM 240 CZ PHE A 14 71.997 7.004 -2.746 1.00 0.00 C ATOM 0 H PHE A 14 74.073 9.460 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 14 74.777 10.205 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.967 7.776 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.088 7.882 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.969 8.661 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 14 72.851 6.842 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 14 73.172 7.959 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.054 6.140 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.214 6.698 -2.068 1.00 0.00 H new ATOM 250 N ALA A 15 77.147 9.786 -6.924 1.00 0.00 N ATOM 251 CA ALA A 15 78.552 10.195 -7.254 1.00 0.00 C ATOM 252 C ALA A 15 78.869 11.600 -6.748 1.00 0.00 C ATOM 253 O ALA A 15 79.425 11.779 -5.683 1.00 0.00 O ATOM 254 CB ALA A 15 78.763 10.197 -8.765 1.00 0.00 C ATOM 0 H ALA A 15 76.723 9.142 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 15 79.208 9.474 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.787 10.496 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.582 9.197 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.070 10.900 -9.228 1.00 0.00 H new ATOM 260 N ARG A 16 78.557 12.595 -7.531 1.00 0.00 N ATOM 261 CA ARG A 16 78.881 13.987 -7.127 1.00 0.00 C ATOM 262 C ARG A 16 80.393 14.123 -7.102 1.00 0.00 C ATOM 263 O ARG A 16 80.956 14.962 -6.429 1.00 0.00 O ATOM 264 CB ARG A 16 78.303 14.274 -5.748 1.00 0.00 C ATOM 265 CG ARG A 16 76.817 13.948 -5.774 1.00 0.00 C ATOM 266 CD ARG A 16 76.166 14.422 -4.476 1.00 0.00 C ATOM 267 NE ARG A 16 74.810 14.964 -4.769 1.00 0.00 N ATOM 268 CZ ARG A 16 74.227 15.763 -3.916 1.00 0.00 C ATOM 269 NH1 ARG A 16 74.750 15.956 -2.735 1.00 0.00 N ATOM 270 NH2 ARG A 16 73.119 16.370 -4.244 1.00 0.00 N ATOM 0 H ARG A 16 78.091 12.502 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 16 78.450 14.700 -7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.810 13.674 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 16 78.457 15.320 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 16 76.343 14.432 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 16 76.672 12.874 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 16 76.094 13.595 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 16 76.782 15.189 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 16 74.336 14.711 -5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 16 75.616 15.482 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 16 74.293 16.580 -2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 16 72.709 16.220 -5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 16 72.663 16.994 -3.578 1.00 0.00 H new ATOM 284 N PHE A 17 81.043 13.281 -7.843 1.00 0.00 N ATOM 285 CA PHE A 17 82.528 13.307 -7.900 1.00 0.00 C ATOM 286 C PHE A 17 82.975 13.624 -9.326 1.00 0.00 C ATOM 287 O PHE A 17 82.162 13.707 -10.226 1.00 0.00 O ATOM 288 CB PHE A 17 83.060 11.932 -7.492 1.00 0.00 C ATOM 289 CG PHE A 17 83.678 12.025 -6.120 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.945 12.576 -5.063 1.00 0.00 C ATOM 291 CD2 PHE A 17 84.980 11.561 -5.903 1.00 0.00 C ATOM 292 CE1 PHE A 17 83.513 12.664 -3.787 1.00 0.00 C ATOM 293 CE2 PHE A 17 85.550 11.649 -4.627 1.00 0.00 C ATOM 294 CZ PHE A 17 84.817 12.200 -3.569 1.00 0.00 C ATOM 0 H PHE A 17 80.605 12.564 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 17 82.914 14.070 -7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.251 11.202 -7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 17 83.800 11.586 -8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.940 12.934 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 17 85.545 11.135 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.947 13.089 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 17 86.555 11.292 -4.459 1.00 0.00 H new ATOM 0 HZ PHE A 17 85.257 12.267 -2.585 1.00 0.00 H new ATOM 304 N PRO A 18 84.263 13.779 -9.490 1.00 0.00 N ATOM 305 CA PRO A 18 84.866 14.071 -10.800 1.00 0.00 C ATOM 306 C PRO A 18 84.914 12.800 -11.658 1.00 0.00 C ATOM 307 O PRO A 18 85.489 12.780 -12.728 1.00 0.00 O ATOM 308 CB PRO A 18 86.272 14.564 -10.446 1.00 0.00 C ATOM 309 CG PRO A 18 86.586 14.010 -9.035 1.00 0.00 C ATOM 310 CD PRO A 18 85.236 13.678 -8.382 1.00 0.00 C ATOM 0 HA PRO A 18 84.306 14.802 -11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 18 87.002 14.210 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 18 86.315 15.653 -10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 18 87.214 13.121 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 18 87.132 14.745 -8.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 85.240 12.679 -7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 18 84.999 14.376 -7.579 1.00 0.00 H new ATOM 318 N GLY A 19 84.299 11.744 -11.197 1.00 0.00 N ATOM 319 CA GLY A 19 84.283 10.476 -11.974 1.00 0.00 C ATOM 320 C GLY A 19 82.963 9.767 -11.685 1.00 0.00 C ATOM 321 O GLY A 19 82.864 8.562 -11.765 1.00 0.00 O ATOM 0 H GLY A 19 83.803 11.708 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 19 84.381 10.680 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 19 85.125 9.845 -11.692 1.00 0.00 H new ATOM 325 N ASP A 20 81.965 10.532 -11.311 1.00 0.00 N ATOM 326 CA ASP A 20 80.643 9.993 -10.962 1.00 0.00 C ATOM 327 C ASP A 20 80.362 8.697 -11.674 1.00 0.00 C ATOM 328 O ASP A 20 79.792 8.638 -12.746 1.00 0.00 O ATOM 329 CB ASP A 20 79.560 11.016 -11.310 1.00 0.00 C ATOM 330 CG ASP A 20 79.721 11.458 -12.766 1.00 0.00 C ATOM 331 OD1 ASP A 20 79.173 10.794 -13.630 1.00 0.00 O ATOM 332 OD2 ASP A 20 80.389 12.453 -12.993 1.00 0.00 O ATOM 0 H ASP A 20 82.032 11.547 -11.235 1.00 0.00 H new ATOM 0 HA ASP A 20 80.637 9.794 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 20 78.572 10.581 -11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 79.633 11.878 -10.647 1.00 0.00 H new ATOM 337 N THR A 21 80.749 7.661 -11.029 1.00 0.00 N ATOM 338 CA THR A 21 80.511 6.288 -11.563 1.00 0.00 C ATOM 339 C THR A 21 80.399 5.289 -10.406 1.00 0.00 C ATOM 340 O THR A 21 79.760 4.262 -10.525 1.00 0.00 O ATOM 341 CB THR A 21 81.641 5.880 -12.498 1.00 0.00 C ATOM 342 OG1 THR A 21 81.454 4.531 -12.903 1.00 0.00 O ATOM 343 CG2 THR A 21 82.981 6.018 -11.779 1.00 0.00 C ATOM 0 H THR A 21 81.233 7.691 -10.132 1.00 0.00 H new ATOM 0 HA THR A 21 79.577 6.288 -12.125 1.00 0.00 H new ATOM 0 HB THR A 21 81.637 6.528 -13.375 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.180 4.267 -13.506 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.787 5.725 -12.452 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.124 7.054 -11.471 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.990 5.374 -10.900 1.00 0.00 H new ATOM 351 N GLY A 22 81.011 5.575 -9.287 1.00 0.00 N ATOM 352 CA GLY A 22 80.930 4.634 -8.134 1.00 0.00 C ATOM 353 C GLY A 22 81.613 5.256 -6.914 1.00 0.00 C ATOM 354 O GLY A 22 82.357 4.606 -6.209 1.00 0.00 O ATOM 0 H GLY A 22 81.562 6.418 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 22 79.888 4.412 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 22 81.409 3.689 -8.389 1.00 0.00 H new ATOM 358 N SER A 23 81.366 6.514 -6.661 1.00 0.00 N ATOM 359 CA SER A 23 82.003 7.174 -5.486 1.00 0.00 C ATOM 360 C SER A 23 81.776 6.322 -4.236 1.00 0.00 C ATOM 361 O SER A 23 80.760 5.674 -4.090 1.00 0.00 O ATOM 362 CB SER A 23 81.381 8.557 -5.280 1.00 0.00 C ATOM 363 OG SER A 23 82.380 9.456 -4.817 1.00 0.00 O ATOM 0 H SER A 23 80.752 7.111 -7.216 1.00 0.00 H new ATOM 0 HA SER A 23 83.073 7.279 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 23 80.954 8.920 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 23 80.566 8.498 -4.559 1.00 0.00 H new ATOM 0 HG SER A 23 82.425 10.231 -5.415 1.00 0.00 H new ATOM 369 N THR A 24 82.717 6.319 -3.331 1.00 0.00 N ATOM 370 CA THR A 24 82.555 5.508 -2.091 1.00 0.00 C ATOM 371 C THR A 24 81.141 5.697 -1.540 1.00 0.00 C ATOM 372 O THR A 24 80.513 4.764 -1.086 1.00 0.00 O ATOM 373 CB THR A 24 83.573 5.965 -1.044 1.00 0.00 C ATOM 374 OG1 THR A 24 84.876 5.563 -1.444 1.00 0.00 O ATOM 375 CG2 THR A 24 83.234 5.334 0.308 1.00 0.00 C ATOM 0 H THR A 24 83.590 6.843 -3.397 1.00 0.00 H new ATOM 0 HA THR A 24 82.719 4.456 -2.323 1.00 0.00 H new ATOM 0 HB THR A 24 83.540 7.051 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.529 5.857 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.959 5.660 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.235 5.644 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.266 4.248 0.221 1.00 0.00 H new ATOM 383 N GLU A 25 80.638 6.901 -1.576 1.00 0.00 N ATOM 384 CA GLU A 25 79.269 7.156 -1.059 1.00 0.00 C ATOM 385 C GLU A 25 78.257 6.358 -1.877 1.00 0.00 C ATOM 386 O GLU A 25 77.435 5.638 -1.345 1.00 0.00 O ATOM 387 CB GLU A 25 78.962 8.644 -1.195 1.00 0.00 C ATOM 388 CG GLU A 25 79.982 9.448 -0.393 1.00 0.00 C ATOM 389 CD GLU A 25 80.722 10.411 -1.324 1.00 0.00 C ATOM 390 OE1 GLU A 25 80.062 11.223 -1.951 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.936 10.318 -1.393 1.00 0.00 O ATOM 0 H GLU A 25 81.121 7.721 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 25 79.207 6.854 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 25 78.994 8.939 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 25 77.954 8.853 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.480 10.005 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.691 8.776 0.090 1.00 0.00 H new ATOM 398 N VAL A 26 78.312 6.489 -3.170 1.00 0.00 N ATOM 399 CA VAL A 26 77.357 5.749 -4.039 1.00 0.00 C ATOM 400 C VAL A 26 77.343 4.275 -3.637 1.00 0.00 C ATOM 401 O VAL A 26 76.308 3.640 -3.606 1.00 0.00 O ATOM 402 CB VAL A 26 77.798 5.880 -5.497 1.00 0.00 C ATOM 403 CG1 VAL A 26 76.635 5.512 -6.420 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.228 7.323 -5.772 1.00 0.00 C ATOM 0 H VAL A 26 78.980 7.079 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 26 76.356 6.164 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 26 78.635 5.208 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 26 76.951 5.606 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 26 76.327 4.484 -6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 26 75.796 6.183 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.543 7.417 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.390 7.994 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.058 7.587 -5.116 1.00 0.00 H new ATOM 414 N GLN A 27 78.483 3.726 -3.322 1.00 0.00 N ATOM 415 CA GLN A 27 78.525 2.296 -2.919 1.00 0.00 C ATOM 416 C GLN A 27 77.804 2.135 -1.584 1.00 0.00 C ATOM 417 O GLN A 27 76.977 1.263 -1.418 1.00 0.00 O ATOM 418 CB GLN A 27 79.978 1.837 -2.784 1.00 0.00 C ATOM 419 CG GLN A 27 80.578 1.628 -4.175 1.00 0.00 C ATOM 420 CD GLN A 27 82.104 1.705 -4.092 1.00 0.00 C ATOM 421 OE1 GLN A 27 82.646 2.642 -3.542 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.823 0.752 -4.620 1.00 0.00 N ATOM 0 H GLN A 27 79.384 4.205 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 27 78.033 1.686 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.556 2.580 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.026 0.910 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.274 0.659 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.202 2.386 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.367 -0.035 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.841 0.794 -4.571 1.00 0.00 H new ATOM 431 N VAL A 28 78.093 2.981 -0.636 1.00 0.00 N ATOM 432 CA VAL A 28 77.396 2.879 0.672 1.00 0.00 C ATOM 433 C VAL A 28 75.902 2.737 0.394 1.00 0.00 C ATOM 434 O VAL A 28 75.186 2.077 1.115 1.00 0.00 O ATOM 435 CB VAL A 28 77.663 4.152 1.484 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.712 4.218 2.681 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.109 4.141 1.985 1.00 0.00 C ATOM 0 H VAL A 28 78.777 3.734 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 28 77.754 2.020 1.240 1.00 0.00 H new ATOM 0 HB VAL A 28 77.499 5.022 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.909 5.125 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.681 4.228 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.868 3.347 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.301 5.045 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.269 3.267 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.789 4.103 1.134 1.00 0.00 H new ATOM 447 N ALA A 29 75.428 3.339 -0.662 1.00 0.00 N ATOM 448 CA ALA A 29 73.988 3.210 -0.994 1.00 0.00 C ATOM 449 C ALA A 29 73.722 1.771 -1.420 1.00 0.00 C ATOM 450 O ALA A 29 72.777 1.146 -0.980 1.00 0.00 O ATOM 451 CB ALA A 29 73.629 4.162 -2.133 1.00 0.00 C ATOM 0 H ALA A 29 75.976 3.911 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 29 73.380 3.463 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.570 4.061 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.837 5.188 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.224 3.917 -3.013 1.00 0.00 H new ATOM 457 N LEU A 30 74.559 1.230 -2.262 1.00 0.00 N ATOM 458 CA LEU A 30 74.360 -0.174 -2.694 1.00 0.00 C ATOM 459 C LEU A 30 74.560 -1.091 -1.483 1.00 0.00 C ATOM 460 O LEU A 30 74.221 -2.257 -1.509 1.00 0.00 O ATOM 461 CB LEU A 30 75.365 -0.514 -3.809 1.00 0.00 C ATOM 462 CG LEU A 30 76.676 -1.044 -3.216 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.638 -2.573 -3.179 1.00 0.00 C ATOM 464 CD2 LEU A 30 77.849 -0.587 -4.086 1.00 0.00 C ATOM 0 H LEU A 30 75.368 1.701 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 30 73.353 -0.314 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 30 74.935 -1.260 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.564 0.374 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 30 76.799 -0.658 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.570 -2.950 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 30 75.802 -2.901 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.515 -2.959 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 30 78.782 -0.963 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 30 77.724 -0.974 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 30 77.877 0.502 -4.116 1.00 0.00 H new ATOM 476 N LEU A 31 75.108 -0.562 -0.418 1.00 0.00 N ATOM 477 CA LEU A 31 75.332 -1.388 0.793 1.00 0.00 C ATOM 478 C LEU A 31 73.966 -1.673 1.427 1.00 0.00 C ATOM 479 O LEU A 31 73.746 -2.698 2.040 1.00 0.00 O ATOM 480 CB LEU A 31 76.238 -0.615 1.776 1.00 0.00 C ATOM 481 CG LEU A 31 75.388 0.153 2.789 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.987 -0.784 3.930 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.186 1.328 3.356 1.00 0.00 C ATOM 0 H LEU A 31 75.409 0.410 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 31 75.823 -2.328 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.897 -1.310 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.875 0.078 1.226 1.00 0.00 H new ATOM 0 HG LEU A 31 74.495 0.532 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.381 -0.238 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.411 -1.618 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.883 -1.164 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.573 1.870 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.083 0.954 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.471 1.999 2.546 1.00 0.00 H new ATOM 495 N THR A 32 73.055 -0.750 1.278 1.00 0.00 N ATOM 496 CA THR A 32 71.699 -0.920 1.862 1.00 0.00 C ATOM 497 C THR A 32 70.923 -1.968 1.062 1.00 0.00 C ATOM 498 O THR A 32 70.269 -2.827 1.614 1.00 0.00 O ATOM 499 CB THR A 32 70.972 0.438 1.826 1.00 0.00 C ATOM 500 OG1 THR A 32 70.081 0.525 2.929 1.00 0.00 O ATOM 501 CG2 THR A 32 70.185 0.598 0.521 1.00 0.00 C ATOM 0 H THR A 32 73.197 0.123 0.770 1.00 0.00 H new ATOM 0 HA THR A 32 71.772 -1.262 2.894 1.00 0.00 H new ATOM 0 HB THR A 32 71.715 1.233 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.924 1.467 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.680 1.564 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.869 0.543 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.445 -0.199 0.442 1.00 0.00 H new ATOM 509 N LEU A 33 70.985 -1.896 -0.238 1.00 0.00 N ATOM 510 CA LEU A 33 70.247 -2.880 -1.077 1.00 0.00 C ATOM 511 C LEU A 33 70.695 -4.301 -0.729 1.00 0.00 C ATOM 512 O LEU A 33 69.890 -5.157 -0.421 1.00 0.00 O ATOM 513 CB LEU A 33 70.533 -2.603 -2.555 1.00 0.00 C ATOM 514 CG LEU A 33 69.405 -3.182 -3.408 1.00 0.00 C ATOM 515 CD1 LEU A 33 68.265 -2.167 -3.504 1.00 0.00 C ATOM 516 CD2 LEU A 33 69.933 -3.489 -4.811 1.00 0.00 C ATOM 0 H LEU A 33 71.516 -1.197 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 33 69.178 -2.785 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 33 70.618 -1.530 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.486 -3.048 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 33 69.037 -4.099 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 33 67.460 -2.580 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 33 67.888 -1.947 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 33 68.633 -1.249 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.129 -3.902 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.301 -2.571 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.746 -4.212 -4.744 1.00 0.00 H new ATOM 528 N ARG A 34 71.973 -4.564 -0.784 1.00 0.00 N ATOM 529 CA ARG A 34 72.470 -5.933 -0.465 1.00 0.00 C ATOM 530 C ARG A 34 72.097 -6.305 0.973 1.00 0.00 C ATOM 531 O ARG A 34 72.199 -7.448 1.371 1.00 0.00 O ATOM 532 CB ARG A 34 73.991 -5.972 -0.623 1.00 0.00 C ATOM 533 CG ARG A 34 74.401 -7.270 -1.322 1.00 0.00 C ATOM 534 CD ARG A 34 74.164 -7.137 -2.828 1.00 0.00 C ATOM 535 NE ARG A 34 72.966 -7.933 -3.215 1.00 0.00 N ATOM 536 CZ ARG A 34 72.843 -9.166 -2.809 1.00 0.00 C ATOM 537 NH1 ARG A 34 73.644 -10.088 -3.267 1.00 0.00 N ATOM 538 NH2 ARG A 34 71.918 -9.478 -1.943 1.00 0.00 N ATOM 0 H ARG A 34 72.695 -3.889 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 34 72.011 -6.647 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.329 -5.113 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.470 -5.906 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.452 -7.485 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.826 -8.106 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.019 -6.090 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.039 -7.486 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 34 72.242 -7.513 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.368 -9.845 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 34 73.547 -11.052 -2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 34 71.292 -8.757 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 34 71.821 -10.442 -1.625 1.00 0.00 H new ATOM 552 N ILE A 35 71.672 -5.352 1.756 1.00 0.00 N ATOM 553 CA ILE A 35 71.302 -5.645 3.158 1.00 0.00 C ATOM 554 C ILE A 35 69.845 -6.120 3.202 1.00 0.00 C ATOM 555 O ILE A 35 69.520 -7.127 3.800 1.00 0.00 O ATOM 556 CB ILE A 35 71.493 -4.354 3.973 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.700 -4.517 4.897 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.254 -4.030 4.811 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.975 -4.183 4.123 1.00 0.00 C ATOM 0 H ILE A 35 71.566 -4.377 1.477 1.00 0.00 H new ATOM 0 HA ILE A 35 71.926 -6.433 3.580 1.00 0.00 H new ATOM 0 HB ILE A 35 71.655 -3.532 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.603 -3.860 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.747 -5.538 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.425 -3.112 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.394 -3.898 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.059 -4.849 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.839 -4.298 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.072 -4.858 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.925 -3.154 3.766 1.00 0.00 H new ATOM 571 N ASN A 36 68.970 -5.383 2.580 1.00 0.00 N ATOM 572 CA ASN A 36 67.528 -5.759 2.580 1.00 0.00 C ATOM 573 C ASN A 36 67.345 -7.152 1.973 1.00 0.00 C ATOM 574 O ASN A 36 66.635 -7.980 2.510 1.00 0.00 O ATOM 575 CB ASN A 36 66.738 -4.742 1.756 1.00 0.00 C ATOM 576 CG ASN A 36 66.938 -3.341 2.338 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.537 -3.185 3.383 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.456 -2.309 1.702 1.00 0.00 N ATOM 0 H ASN A 36 69.192 -4.530 2.067 1.00 0.00 H new ATOM 0 HA ASN A 36 67.164 -5.767 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.068 -4.766 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.679 -5.000 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.582 -1.371 2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 36 65.953 -2.440 0.824 1.00 0.00 H new ATOM 585 N ARG A 37 67.965 -7.420 0.854 1.00 0.00 N ATOM 586 CA ARG A 37 67.802 -8.758 0.221 1.00 0.00 C ATOM 587 C ARG A 37 68.722 -9.778 0.883 1.00 0.00 C ATOM 588 O ARG A 37 68.850 -10.903 0.441 1.00 0.00 O ATOM 589 CB ARG A 37 68.121 -8.666 -1.270 1.00 0.00 C ATOM 590 CG ARG A 37 66.868 -8.246 -2.038 1.00 0.00 C ATOM 591 CD ARG A 37 66.793 -9.021 -3.355 1.00 0.00 C ATOM 592 NE ARG A 37 65.451 -8.821 -3.972 1.00 0.00 N ATOM 593 CZ ARG A 37 64.463 -9.611 -3.652 1.00 0.00 C ATOM 594 NH1 ARG A 37 63.882 -9.493 -2.490 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.056 -10.520 -4.495 1.00 0.00 N ATOM 0 H ARG A 37 68.574 -6.772 0.354 1.00 0.00 H new ATOM 0 HA ARG A 37 66.770 -9.083 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 37 68.921 -7.945 -1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 37 68.478 -9.629 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.979 -8.440 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.892 -7.174 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.573 -8.679 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.969 -10.082 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 37 65.305 -8.067 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.200 -8.783 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 37 63.110 -10.111 -2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.510 -10.613 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.284 -11.138 -4.245 1.00 0.00 H new ATOM 609 N LEU A 38 69.348 -9.389 1.940 1.00 0.00 N ATOM 610 CA LEU A 38 70.256 -10.313 2.662 1.00 0.00 C ATOM 611 C LEU A 38 69.473 -11.043 3.755 1.00 0.00 C ATOM 612 O LEU A 38 69.684 -12.211 4.013 1.00 0.00 O ATOM 613 CB LEU A 38 71.400 -9.519 3.296 1.00 0.00 C ATOM 614 CG LEU A 38 72.739 -10.118 2.860 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.900 -11.509 3.478 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.773 -10.233 1.334 1.00 0.00 C ATOM 0 H LEU A 38 69.272 -8.456 2.346 1.00 0.00 H new ATOM 0 HA LEU A 38 70.667 -11.039 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.342 -8.473 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.315 -9.543 4.382 1.00 0.00 H new ATOM 0 HG LEU A 38 73.552 -9.474 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 73.853 -11.937 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.874 -11.430 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.087 -12.153 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 38 73.726 -10.660 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.960 -10.878 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 38 72.656 -9.244 0.892 1.00 0.00 H new ATOM 628 N SER A 39 68.574 -10.354 4.405 1.00 0.00 N ATOM 629 CA SER A 39 67.778 -10.993 5.490 1.00 0.00 C ATOM 630 C SER A 39 66.642 -11.821 4.885 1.00 0.00 C ATOM 631 O SER A 39 66.090 -12.692 5.527 1.00 0.00 O ATOM 632 CB SER A 39 67.188 -9.905 6.389 1.00 0.00 C ATOM 633 OG SER A 39 66.868 -10.466 7.655 1.00 0.00 O ATOM 0 H SER A 39 68.357 -9.373 4.230 1.00 0.00 H new ATOM 0 HA SER A 39 68.426 -11.647 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.901 -9.090 6.509 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.295 -9.482 5.929 1.00 0.00 H new ATOM 0 HG SER A 39 66.491 -9.772 8.235 1.00 0.00 H new ATOM 639 N GLU A 40 66.284 -11.558 3.658 1.00 0.00 N ATOM 640 CA GLU A 40 65.181 -12.331 3.026 1.00 0.00 C ATOM 641 C GLU A 40 65.745 -13.564 2.333 1.00 0.00 C ATOM 642 O GLU A 40 65.115 -14.167 1.486 1.00 0.00 O ATOM 643 CB GLU A 40 64.469 -11.456 2.003 1.00 0.00 C ATOM 644 CG GLU A 40 63.030 -11.199 2.457 1.00 0.00 C ATOM 645 CD GLU A 40 62.894 -9.750 2.930 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.162 -9.500 4.094 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.526 -8.916 2.120 1.00 0.00 O ATOM 0 H GLU A 40 66.708 -10.842 3.068 1.00 0.00 H new ATOM 0 HA GLU A 40 64.475 -12.643 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 40 64.999 -10.510 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 40 64.471 -11.944 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.339 -11.391 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 62.765 -11.882 3.264 1.00 0.00 H new ATOM 654 N HIS A 41 66.926 -13.934 2.695 1.00 0.00 N ATOM 655 CA HIS A 41 67.566 -15.125 2.084 1.00 0.00 C ATOM 656 C HIS A 41 67.220 -16.371 2.903 1.00 0.00 C ATOM 657 O HIS A 41 66.324 -17.120 2.570 1.00 0.00 O ATOM 658 CB HIS A 41 69.084 -14.935 2.064 1.00 0.00 C ATOM 659 CG HIS A 41 69.513 -14.456 0.704 1.00 0.00 C ATOM 660 ND1 HIS A 41 70.842 -14.446 0.309 1.00 0.00 N ATOM 661 CD2 HIS A 41 68.802 -13.967 -0.363 1.00 0.00 C ATOM 662 CE1 HIS A 41 70.888 -13.965 -0.947 1.00 0.00 C ATOM 663 NE2 HIS A 41 69.673 -13.658 -1.405 1.00 0.00 N ATOM 0 H HIS A 41 67.489 -13.458 3.400 1.00 0.00 H new ATOM 0 HA HIS A 41 67.201 -15.248 1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.381 -14.214 2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 41 69.582 -15.875 2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 41 67.730 -13.841 -0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 41 71.798 -13.842 -1.515 1.00 0.00 H new ATOM 0 HE2 HIS A 41 69.434 -13.279 -2.321 1.00 0.00 H new ATOM 671 N LEU A 42 67.932 -16.595 3.972 1.00 0.00 N ATOM 672 CA LEU A 42 67.667 -17.784 4.821 1.00 0.00 C ATOM 673 C LEU A 42 66.324 -17.628 5.542 1.00 0.00 C ATOM 674 O LEU A 42 65.876 -18.522 6.231 1.00 0.00 O ATOM 675 CB LEU A 42 68.781 -17.907 5.857 1.00 0.00 C ATOM 676 CG LEU A 42 70.118 -17.531 5.216 1.00 0.00 C ATOM 677 CD1 LEU A 42 70.573 -16.169 5.743 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.166 -18.588 5.570 1.00 0.00 C ATOM 0 H LEU A 42 68.693 -15.998 4.295 1.00 0.00 H new ATOM 0 HA LEU A 42 67.632 -18.675 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.576 -17.255 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.824 -18.926 6.241 1.00 0.00 H new ATOM 0 HG LEU A 42 70.000 -17.481 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.526 -15.902 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.827 -15.415 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.691 -16.219 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.120 -18.322 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 42 71.282 -18.637 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.844 -19.560 5.196 1.00 0.00 H new ATOM 690 N LYS A 43 65.674 -16.504 5.388 1.00 0.00 N ATOM 691 CA LYS A 43 64.361 -16.300 6.066 1.00 0.00 C ATOM 692 C LYS A 43 63.240 -16.922 5.237 1.00 0.00 C ATOM 693 O LYS A 43 62.072 -16.645 5.425 1.00 0.00 O ATOM 694 CB LYS A 43 64.099 -14.809 6.235 1.00 0.00 C ATOM 695 CG LYS A 43 64.472 -14.379 7.656 1.00 0.00 C ATOM 696 CD LYS A 43 63.450 -13.363 8.168 1.00 0.00 C ATOM 697 CE LYS A 43 63.740 -13.043 9.636 1.00 0.00 C ATOM 698 NZ LYS A 43 63.198 -14.133 10.496 1.00 0.00 N ATOM 0 H LYS A 43 65.996 -15.719 4.822 1.00 0.00 H new ATOM 0 HA LYS A 43 64.390 -16.780 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.682 -14.243 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.049 -14.590 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.498 -15.247 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.470 -13.942 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 43 63.496 -12.453 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.441 -13.762 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 43 64.814 -12.941 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.287 -12.090 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 62.597 -13.723 11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 62.634 -14.786 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 63.985 -14.652 10.935 1.00 0.00 H new ATOM 712 N VAL A 44 63.603 -17.766 4.334 1.00 0.00 N ATOM 713 CA VAL A 44 62.614 -18.449 3.467 1.00 0.00 C ATOM 714 C VAL A 44 63.265 -19.724 2.928 1.00 0.00 C ATOM 715 O VAL A 44 62.653 -20.771 2.857 1.00 0.00 O ATOM 716 CB VAL A 44 62.232 -17.531 2.308 1.00 0.00 C ATOM 717 CG1 VAL A 44 61.523 -18.339 1.220 1.00 0.00 C ATOM 718 CG2 VAL A 44 61.296 -16.432 2.817 1.00 0.00 C ATOM 0 H VAL A 44 64.573 -18.023 4.151 1.00 0.00 H new ATOM 0 HA VAL A 44 61.713 -18.693 4.030 1.00 0.00 H new ATOM 0 HB VAL A 44 63.134 -17.081 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 44 61.252 -17.680 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.189 -19.121 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 44 60.622 -18.793 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.022 -15.776 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.396 -16.885 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 44 61.802 -15.852 3.589 1.00 0.00 H new ATOM 728 N HIS A 45 64.516 -19.634 2.566 1.00 0.00 N ATOM 729 CA HIS A 45 65.242 -20.821 2.047 1.00 0.00 C ATOM 730 C HIS A 45 65.222 -21.932 3.100 1.00 0.00 C ATOM 731 O HIS A 45 64.729 -21.752 4.196 1.00 0.00 O ATOM 732 CB HIS A 45 66.689 -20.424 1.750 1.00 0.00 C ATOM 733 CG HIS A 45 66.801 -19.964 0.323 1.00 0.00 C ATOM 734 ND1 HIS A 45 67.839 -20.365 -0.504 1.00 0.00 N ATOM 735 CD2 HIS A 45 66.012 -19.138 -0.440 1.00 0.00 C ATOM 736 CE1 HIS A 45 67.648 -19.786 -1.704 1.00 0.00 C ATOM 737 NE2 HIS A 45 66.548 -19.027 -1.719 1.00 0.00 N ATOM 0 H HIS A 45 65.069 -18.778 2.609 1.00 0.00 H new ATOM 0 HA HIS A 45 64.763 -21.181 1.137 1.00 0.00 H new ATOM 0 HB2 HIS A 45 67.005 -19.629 2.425 1.00 0.00 H new ATOM 0 HB3 HIS A 45 67.352 -21.271 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 45 65.112 -18.649 -0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 45 68.304 -19.919 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.181 -18.483 -2.500 1.00 0.00 H new ATOM 745 N LYS A 46 65.756 -23.078 2.778 1.00 0.00 N ATOM 746 CA LYS A 46 65.768 -24.195 3.762 1.00 0.00 C ATOM 747 C LYS A 46 66.416 -25.428 3.130 1.00 0.00 C ATOM 748 O LYS A 46 66.057 -26.551 3.425 1.00 0.00 O ATOM 749 CB LYS A 46 64.335 -24.529 4.176 1.00 0.00 C ATOM 750 CG LYS A 46 63.415 -24.442 2.956 1.00 0.00 C ATOM 751 CD LYS A 46 62.055 -25.055 3.297 1.00 0.00 C ATOM 752 CE LYS A 46 61.045 -23.938 3.565 1.00 0.00 C ATOM 753 NZ LYS A 46 60.302 -23.629 2.310 1.00 0.00 N ATOM 0 H LYS A 46 66.184 -23.288 1.876 1.00 0.00 H new ATOM 0 HA LYS A 46 66.339 -23.895 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 46 64.294 -25.530 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 46 63.998 -23.837 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 46 63.291 -23.402 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.862 -24.968 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 61.710 -25.682 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 46 62.143 -25.698 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.349 -24.242 4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 46 61.559 -23.047 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 59.615 -22.870 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 60.972 -23.322 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 59.800 -24.480 1.985 1.00 0.00 H new ATOM 767 N LYS A 47 67.367 -25.227 2.262 1.00 0.00 N ATOM 768 CA LYS A 47 68.037 -26.385 1.610 1.00 0.00 C ATOM 769 C LYS A 47 68.817 -25.902 0.387 1.00 0.00 C ATOM 770 O LYS A 47 68.518 -26.265 -0.734 1.00 0.00 O ATOM 771 CB LYS A 47 66.981 -27.399 1.173 1.00 0.00 C ATOM 772 CG LYS A 47 65.733 -26.660 0.687 1.00 0.00 C ATOM 773 CD LYS A 47 65.010 -27.510 -0.359 1.00 0.00 C ATOM 774 CE LYS A 47 63.741 -26.787 -0.816 1.00 0.00 C ATOM 775 NZ LYS A 47 62.719 -26.844 0.266 1.00 0.00 N ATOM 0 H LYS A 47 67.709 -24.310 1.976 1.00 0.00 H new ATOM 0 HA LYS A 47 68.724 -26.853 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.376 -28.030 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 47 66.727 -28.056 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 47 65.069 -26.455 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 47 66.012 -25.697 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 47 65.665 -27.691 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 47 64.756 -28.483 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 47 63.969 -25.750 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 47 63.352 -27.251 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 61.912 -27.419 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 63.138 -27.271 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 62.393 -25.881 0.487 1.00 0.00 H new ATOM 789 N ASP A 48 69.815 -25.085 0.590 1.00 0.00 N ATOM 790 CA ASP A 48 70.610 -24.584 -0.566 1.00 0.00 C ATOM 791 C ASP A 48 71.683 -23.610 -0.074 1.00 0.00 C ATOM 792 O ASP A 48 72.055 -22.682 -0.765 1.00 0.00 O ATOM 793 CB ASP A 48 69.682 -23.866 -1.548 1.00 0.00 C ATOM 794 CG ASP A 48 69.964 -24.357 -2.970 1.00 0.00 C ATOM 795 OD1 ASP A 48 70.512 -25.439 -3.103 1.00 0.00 O ATOM 796 OD2 ASP A 48 69.627 -23.643 -3.899 1.00 0.00 O ATOM 0 H ASP A 48 70.113 -24.744 1.504 1.00 0.00 H new ATOM 0 HA ASP A 48 71.090 -25.426 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 68.641 -24.056 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.834 -22.788 -1.487 1.00 0.00 H new ATOM 801 N HIS A 49 72.190 -23.814 1.112 1.00 0.00 N ATOM 802 CA HIS A 49 73.241 -22.899 1.637 1.00 0.00 C ATOM 803 C HIS A 49 74.394 -22.830 0.634 1.00 0.00 C ATOM 804 O HIS A 49 75.326 -23.609 0.690 1.00 0.00 O ATOM 805 CB HIS A 49 73.759 -23.429 2.975 1.00 0.00 C ATOM 806 CG HIS A 49 73.694 -22.337 4.008 1.00 0.00 C ATOM 807 ND1 HIS A 49 74.263 -22.474 5.265 1.00 0.00 N ATOM 808 CD2 HIS A 49 73.131 -21.086 3.986 1.00 0.00 C ATOM 809 CE1 HIS A 49 74.032 -21.334 5.941 1.00 0.00 C ATOM 810 NE2 HIS A 49 73.345 -20.454 5.208 1.00 0.00 N ATOM 0 H HIS A 49 71.922 -24.573 1.738 1.00 0.00 H new ATOM 0 HA HIS A 49 72.821 -21.904 1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 49 73.162 -24.283 3.295 1.00 0.00 H new ATOM 0 HB3 HIS A 49 74.785 -23.780 2.866 1.00 0.00 H new ATOM 0 HD1 HIS A 49 74.765 -23.290 5.614 1.00 0.00 H new ATOM 0 HD2 HIS A 49 72.602 -20.657 3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 49 74.362 -21.153 6.953 1.00 0.00 H new ATOM 818 N HIS A 50 74.337 -21.909 -0.288 1.00 0.00 N ATOM 819 CA HIS A 50 75.428 -21.797 -1.298 1.00 0.00 C ATOM 820 C HIS A 50 75.945 -20.368 -1.331 1.00 0.00 C ATOM 821 O HIS A 50 76.506 -19.910 -2.307 1.00 0.00 O ATOM 822 CB HIS A 50 74.883 -22.164 -2.669 1.00 0.00 C ATOM 823 CG HIS A 50 75.505 -23.452 -3.135 1.00 0.00 C ATOM 824 ND1 HIS A 50 75.385 -24.632 -2.418 1.00 0.00 N ATOM 825 CD2 HIS A 50 76.256 -23.759 -4.242 1.00 0.00 C ATOM 826 CE1 HIS A 50 76.048 -25.587 -3.097 1.00 0.00 C ATOM 827 NE2 HIS A 50 76.597 -25.109 -4.216 1.00 0.00 N ATOM 0 H HIS A 50 73.583 -21.229 -0.386 1.00 0.00 H new ATOM 0 HA HIS A 50 76.241 -22.473 -1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 50 73.799 -22.268 -2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 50 75.097 -21.367 -3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 50 76.539 -23.060 -5.015 1.00 0.00 H new ATOM 0 HE1 HIS A 50 76.126 -26.615 -2.775 1.00 0.00 H new ATOM 0 HE2 HIS A 50 77.148 -25.622 -4.904 1.00 0.00 H new ATOM 835 N SER A 51 75.755 -19.670 -0.265 1.00 0.00 N ATOM 836 CA SER A 51 76.223 -18.261 -0.191 1.00 0.00 C ATOM 837 C SER A 51 76.008 -17.723 1.225 1.00 0.00 C ATOM 838 O SER A 51 74.923 -17.313 1.586 1.00 0.00 O ATOM 839 CB SER A 51 75.436 -17.407 -1.186 1.00 0.00 C ATOM 840 OG SER A 51 75.960 -17.607 -2.493 1.00 0.00 O ATOM 0 H SER A 51 75.289 -20.013 0.575 1.00 0.00 H new ATOM 0 HA SER A 51 77.284 -18.220 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 51 74.380 -17.677 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 51 75.503 -16.354 -0.912 1.00 0.00 H new ATOM 0 HG SER A 51 76.524 -18.409 -2.500 1.00 0.00 H new ATOM 846 N HIS A 52 77.035 -17.723 2.029 1.00 0.00 N ATOM 847 CA HIS A 52 76.891 -17.213 3.421 1.00 0.00 C ATOM 848 C HIS A 52 78.229 -17.344 4.154 1.00 0.00 C ATOM 849 O HIS A 52 78.275 -17.558 5.349 1.00 0.00 O ATOM 850 CB HIS A 52 75.825 -18.026 4.156 1.00 0.00 C ATOM 851 CG HIS A 52 75.440 -17.318 5.426 1.00 0.00 C ATOM 852 ND1 HIS A 52 75.348 -17.978 6.642 1.00 0.00 N ATOM 853 CD2 HIS A 52 75.119 -16.009 5.685 1.00 0.00 C ATOM 854 CE1 HIS A 52 74.986 -17.072 7.568 1.00 0.00 C ATOM 855 NE2 HIS A 52 74.832 -15.855 7.038 1.00 0.00 N ATOM 0 H HIS A 52 77.968 -18.054 1.782 1.00 0.00 H new ATOM 0 HA HIS A 52 76.593 -16.165 3.394 1.00 0.00 H new ATOM 0 HB2 HIS A 52 74.949 -18.156 3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 52 76.205 -19.022 4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 52 75.093 -15.218 4.950 1.00 0.00 H new ATOM 0 HE1 HIS A 52 74.838 -17.300 8.613 1.00 0.00 H new ATOM 0 HE2 HIS A 52 74.562 -14.998 7.521 1.00 0.00 H new ATOM 863 N ARG A 53 79.319 -17.218 3.446 1.00 0.00 N ATOM 864 CA ARG A 53 80.650 -17.334 4.101 1.00 0.00 C ATOM 865 C ARG A 53 80.789 -16.251 5.173 1.00 0.00 C ATOM 866 O ARG A 53 81.438 -16.444 6.182 1.00 0.00 O ATOM 867 CB ARG A 53 81.750 -17.155 3.052 1.00 0.00 C ATOM 868 CG ARG A 53 82.667 -18.380 3.060 1.00 0.00 C ATOM 869 CD ARG A 53 82.526 -19.131 1.735 1.00 0.00 C ATOM 870 NE ARG A 53 82.962 -20.544 1.916 1.00 0.00 N ATOM 871 CZ ARG A 53 82.878 -21.385 0.922 1.00 0.00 C ATOM 872 NH1 ARG A 53 83.762 -21.350 -0.038 1.00 0.00 N ATOM 873 NH2 ARG A 53 81.911 -22.260 0.887 1.00 0.00 N ATOM 0 H ARG A 53 79.343 -17.040 2.442 1.00 0.00 H new ATOM 0 HA ARG A 53 80.742 -18.317 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.308 -17.025 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.326 -16.255 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.702 -18.072 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.408 -19.036 3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 53 81.491 -19.099 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 53 83.129 -18.649 0.966 1.00 0.00 H new ATOM 0 HE ARG A 53 83.326 -20.854 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 53 84.518 -20.666 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 53 83.697 -22.007 -0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 53 81.220 -22.287 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 53 81.846 -22.917 0.110 1.00 0.00 H new ATOM 887 N GLY A 54 80.185 -15.116 4.961 1.00 0.00 N ATOM 888 CA GLY A 54 80.281 -14.020 5.966 1.00 0.00 C ATOM 889 C GLY A 54 79.481 -12.811 5.483 1.00 0.00 C ATOM 890 O GLY A 54 79.988 -11.711 5.406 1.00 0.00 O ATOM 0 H GLY A 54 79.628 -14.899 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 54 79.899 -14.361 6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.324 -13.742 6.117 1.00 0.00 H new ATOM 894 N LEU A 55 78.231 -13.004 5.157 1.00 0.00 N ATOM 895 CA LEU A 55 77.405 -11.866 4.681 1.00 0.00 C ATOM 896 C LEU A 55 76.735 -11.186 5.872 1.00 0.00 C ATOM 897 O LEU A 55 75.659 -10.632 5.765 1.00 0.00 O ATOM 898 CB LEU A 55 76.335 -12.372 3.711 1.00 0.00 C ATOM 899 CG LEU A 55 76.953 -12.575 2.327 1.00 0.00 C ATOM 900 CD1 LEU A 55 75.983 -13.362 1.444 1.00 0.00 C ATOM 901 CD2 LEU A 55 77.228 -11.211 1.688 1.00 0.00 C ATOM 0 H LEU A 55 77.749 -13.902 5.201 1.00 0.00 H new ATOM 0 HA LEU A 55 78.045 -11.149 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.915 -13.310 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.515 -11.657 3.653 1.00 0.00 H new ATOM 0 HG LEU A 55 77.887 -13.129 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 55 76.424 -13.506 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.784 -14.333 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 55 75.049 -12.809 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 77.669 -11.354 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 55 76.293 -10.659 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 55 77.919 -10.648 2.316 1.00 0.00 H new ATOM 913 N LEU A 56 77.369 -11.225 7.006 1.00 0.00 N ATOM 914 CA LEU A 56 76.796 -10.591 8.211 1.00 0.00 C ATOM 915 C LEU A 56 77.544 -9.294 8.499 1.00 0.00 C ATOM 916 O LEU A 56 76.963 -8.293 8.868 1.00 0.00 O ATOM 917 CB LEU A 56 76.952 -11.547 9.389 1.00 0.00 C ATOM 918 CG LEU A 56 75.991 -12.723 9.221 1.00 0.00 C ATOM 919 CD1 LEU A 56 76.322 -13.805 10.250 1.00 0.00 C ATOM 920 CD2 LEU A 56 74.553 -12.243 9.431 1.00 0.00 C ATOM 0 H LEU A 56 78.273 -11.677 7.147 1.00 0.00 H new ATOM 0 HA LEU A 56 75.740 -10.370 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 56 77.979 -11.908 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 56 76.746 -11.026 10.324 1.00 0.00 H new ATOM 0 HG LEU A 56 76.094 -13.133 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.636 -14.644 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 56 77.345 -14.149 10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.221 -13.395 11.255 1.00 0.00 H new ATOM 0 HD21 LEU A 56 73.868 -13.082 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 56 74.450 -11.831 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 56 74.316 -11.473 8.697 1.00 0.00 H new ATOM 932 N MET A 57 78.830 -9.310 8.326 1.00 0.00 N ATOM 933 CA MET A 57 79.639 -8.088 8.580 1.00 0.00 C ATOM 934 C MET A 57 79.037 -6.914 7.804 1.00 0.00 C ATOM 935 O MET A 57 79.149 -5.771 8.201 1.00 0.00 O ATOM 936 CB MET A 57 81.078 -8.324 8.114 1.00 0.00 C ATOM 937 CG MET A 57 81.922 -7.084 8.413 1.00 0.00 C ATOM 938 SD MET A 57 83.676 -7.483 8.203 1.00 0.00 S ATOM 939 CE MET A 57 84.168 -7.251 9.929 1.00 0.00 C ATOM 0 H MET A 57 79.363 -10.123 8.017 1.00 0.00 H new ATOM 0 HA MET A 57 79.636 -7.861 9.646 1.00 0.00 H new ATOM 0 HB2 MET A 57 81.497 -9.193 8.621 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.095 -8.539 7.046 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.641 -6.270 7.745 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.735 -6.741 9.431 1.00 0.00 H new ATOM 0 HE1 MET A 57 85.235 -7.449 10.033 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.958 -6.225 10.232 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.608 -7.939 10.563 1.00 0.00 H new ATOM 949 N MET A 58 78.396 -7.188 6.701 1.00 0.00 N ATOM 950 CA MET A 58 77.785 -6.093 5.903 1.00 0.00 C ATOM 951 C MET A 58 76.736 -5.375 6.751 1.00 0.00 C ATOM 952 O MET A 58 76.750 -4.167 6.881 1.00 0.00 O ATOM 953 CB MET A 58 77.123 -6.679 4.654 1.00 0.00 C ATOM 954 CG MET A 58 77.691 -5.998 3.408 1.00 0.00 C ATOM 955 SD MET A 58 76.331 -5.391 2.379 1.00 0.00 S ATOM 956 CE MET A 58 75.450 -6.964 2.215 1.00 0.00 C ATOM 0 H MET A 58 78.270 -8.125 6.319 1.00 0.00 H new ATOM 0 HA MET A 58 78.557 -5.385 5.602 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.299 -7.754 4.606 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.044 -6.535 4.700 1.00 0.00 H new ATOM 0 HG2 MET A 58 78.340 -5.171 3.696 1.00 0.00 H new ATOM 0 HG3 MET A 58 78.303 -6.701 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.554 -7.335 1.195 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.871 -7.691 2.910 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.394 -6.815 2.441 1.00 0.00 H new ATOM 966 N VAL A 59 75.826 -6.108 7.332 1.00 0.00 N ATOM 967 CA VAL A 59 74.780 -5.466 8.172 1.00 0.00 C ATOM 968 C VAL A 59 75.446 -4.747 9.346 1.00 0.00 C ATOM 969 O VAL A 59 74.920 -3.793 9.882 1.00 0.00 O ATOM 970 CB VAL A 59 73.822 -6.535 8.705 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.664 -5.860 9.441 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.273 -7.355 7.536 1.00 0.00 C ATOM 0 H VAL A 59 75.763 -7.124 7.260 1.00 0.00 H new ATOM 0 HA VAL A 59 74.221 -4.748 7.572 1.00 0.00 H new ATOM 0 HB VAL A 59 74.356 -7.192 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 59 71.982 -6.620 9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.054 -5.274 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.130 -5.203 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.591 -8.116 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.739 -6.698 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.098 -7.836 7.010 1.00 0.00 H new ATOM 982 N GLY A 60 76.603 -5.198 9.747 1.00 0.00 N ATOM 983 CA GLY A 60 77.306 -4.541 10.884 1.00 0.00 C ATOM 984 C GLY A 60 78.484 -3.727 10.349 1.00 0.00 C ATOM 985 O GLY A 60 79.571 -3.758 10.891 1.00 0.00 O ATOM 0 H GLY A 60 77.092 -5.993 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.618 -3.892 11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 60 77.659 -5.292 11.591 1.00 0.00 H new ATOM 989 N GLN A 61 78.278 -2.995 9.288 1.00 0.00 N ATOM 990 CA GLN A 61 79.382 -2.179 8.720 1.00 0.00 C ATOM 991 C GLN A 61 78.818 -0.886 8.151 1.00 0.00 C ATOM 992 O GLN A 61 79.426 -0.229 7.330 1.00 0.00 O ATOM 993 CB GLN A 61 80.073 -2.960 7.612 1.00 0.00 C ATOM 994 CG GLN A 61 81.476 -3.369 8.065 1.00 0.00 C ATOM 995 CD GLN A 61 82.370 -3.572 6.840 1.00 0.00 C ATOM 996 OE1 GLN A 61 82.201 -4.522 6.102 1.00 0.00 O ATOM 997 NE2 GLN A 61 83.320 -2.713 6.590 1.00 0.00 N ATOM 0 H GLN A 61 77.390 -2.929 8.791 1.00 0.00 H new ATOM 0 HA GLN A 61 80.102 -1.947 9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 61 79.489 -3.846 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 61 80.135 -2.352 6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.898 -2.601 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.427 -4.288 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 61 83.462 -1.915 7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 61 83.920 -2.839 5.775 1.00 0.00 H new ATOM 1006 N ARG A 62 77.661 -0.526 8.591 1.00 0.00 N ATOM 1007 CA ARG A 62 77.023 0.727 8.102 1.00 0.00 C ATOM 1008 C ARG A 62 76.862 1.702 9.268 1.00 0.00 C ATOM 1009 O ARG A 62 76.763 2.898 9.084 1.00 0.00 O ATOM 1010 CB ARG A 62 75.647 0.404 7.512 1.00 0.00 C ATOM 1011 CG ARG A 62 74.979 1.697 7.039 1.00 0.00 C ATOM 1012 CD ARG A 62 73.755 1.356 6.186 1.00 0.00 C ATOM 1013 NE ARG A 62 73.074 0.158 6.750 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.799 0.202 7.029 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.936 0.483 6.093 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.390 -0.035 8.246 1.00 0.00 N ATOM 0 H ARG A 62 77.116 -1.047 9.278 1.00 0.00 H new ATOM 0 HA ARG A 62 77.650 1.179 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.751 -0.290 6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 62 75.025 -0.087 8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.681 2.300 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.685 2.293 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 62 73.067 2.201 6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.058 1.164 5.157 1.00 0.00 H new ATOM 0 HE ARG A 62 73.604 -0.697 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.257 0.668 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.940 0.517 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.066 -0.254 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.394 -0.001 8.465 1.00 0.00 H new ATOM 1030 N ARG A 63 76.837 1.194 10.467 1.00 0.00 N ATOM 1031 CA ARG A 63 76.685 2.080 11.652 1.00 0.00 C ATOM 1032 C ARG A 63 77.945 2.929 11.820 1.00 0.00 C ATOM 1033 O ARG A 63 77.916 3.988 12.416 1.00 0.00 O ATOM 1034 CB ARG A 63 76.474 1.223 12.902 1.00 0.00 C ATOM 1035 CG ARG A 63 75.149 0.468 12.787 1.00 0.00 C ATOM 1036 CD ARG A 63 74.575 0.226 14.185 1.00 0.00 C ATOM 1037 NE ARG A 63 73.460 -0.757 14.100 1.00 0.00 N ATOM 1038 CZ ARG A 63 73.350 -1.699 14.997 1.00 0.00 C ATOM 1039 NH1 ARG A 63 72.975 -1.404 16.212 1.00 0.00 N ATOM 1040 NH2 ARG A 63 73.615 -2.937 14.679 1.00 0.00 N ATOM 0 H ARG A 63 76.916 0.199 10.678 1.00 0.00 H new ATOM 0 HA ARG A 63 75.825 2.735 11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 63 77.298 0.518 13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.469 1.853 13.791 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.443 1.041 12.187 1.00 0.00 H new ATOM 0 HG3 ARG A 63 75.303 -0.483 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 63 75.354 -0.148 14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 63 74.216 1.163 14.610 1.00 0.00 H new ATOM 0 HE ARG A 63 72.782 -0.694 13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.768 -0.437 16.461 1.00 0.00 H new ATOM 0 HH12 ARG A 63 72.889 -2.141 16.912 1.00 0.00 H new ATOM 0 HH21 ARG A 63 73.908 -3.168 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 63 73.529 -3.673 15.380 1.00 0.00 H new ATOM 1054 N ARG A 64 79.053 2.476 11.300 1.00 0.00 N ATOM 1055 CA ARG A 64 80.310 3.253 11.431 1.00 0.00 C ATOM 1056 C ARG A 64 80.809 3.662 10.043 1.00 0.00 C ATOM 1057 O ARG A 64 81.890 4.197 9.896 1.00 0.00 O ATOM 1058 CB ARG A 64 81.372 2.398 12.126 1.00 0.00 C ATOM 1059 CG ARG A 64 80.816 1.866 13.448 1.00 0.00 C ATOM 1060 CD ARG A 64 81.660 2.396 14.608 1.00 0.00 C ATOM 1061 NE ARG A 64 82.480 1.287 15.174 1.00 0.00 N ATOM 1062 CZ ARG A 64 83.746 1.476 15.428 1.00 0.00 C ATOM 1063 NH1 ARG A 64 84.540 1.923 14.493 1.00 0.00 N ATOM 1064 NH2 ARG A 64 84.217 1.220 16.618 1.00 0.00 N ATOM 0 H ARG A 64 79.138 1.597 10.789 1.00 0.00 H new ATOM 0 HA ARG A 64 80.121 4.147 12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 64 81.664 1.568 11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 64 82.268 2.991 12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 64 79.778 2.176 13.569 1.00 0.00 H new ATOM 0 HG3 ARG A 64 80.825 0.776 13.446 1.00 0.00 H new ATOM 0 HD2 ARG A 64 82.308 3.201 14.262 1.00 0.00 H new ATOM 0 HD3 ARG A 64 81.014 2.815 15.380 1.00 0.00 H new ATOM 0 HE ARG A 64 82.052 0.381 15.363 1.00 0.00 H new ATOM 0 HH11 ARG A 64 84.171 2.125 13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 64 85.529 2.071 14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 64 83.596 0.872 17.349 1.00 0.00 H new ATOM 0 HH22 ARG A 64 85.206 1.367 16.817 1.00 0.00 H new ATOM 1078 N LEU A 65 80.034 3.412 9.023 1.00 0.00 N ATOM 1079 CA LEU A 65 80.469 3.788 7.649 1.00 0.00 C ATOM 1080 C LEU A 65 80.717 5.295 7.588 1.00 0.00 C ATOM 1081 O LEU A 65 81.388 5.789 6.705 1.00 0.00 O ATOM 1082 CB LEU A 65 79.380 3.409 6.643 1.00 0.00 C ATOM 1083 CG LEU A 65 79.889 2.288 5.736 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.726 1.728 4.916 1.00 0.00 C ATOM 1085 CD2 LEU A 65 80.956 2.843 4.790 1.00 0.00 C ATOM 0 H LEU A 65 79.120 2.964 9.082 1.00 0.00 H new ATOM 0 HA LEU A 65 81.389 3.257 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.481 3.086 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 65 79.104 4.278 6.045 1.00 0.00 H new ATOM 0 HG LEU A 65 80.320 1.494 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 65 79.088 0.929 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 65 77.964 1.334 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 65 78.296 2.522 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.319 2.045 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 65 80.524 3.636 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 65 81.786 3.244 5.372 1.00 0.00 H new ATOM 1097 N LEU A 66 80.176 6.028 8.520 1.00 0.00 N ATOM 1098 CA LEU A 66 80.376 7.502 8.520 1.00 0.00 C ATOM 1099 C LEU A 66 81.866 7.813 8.684 1.00 0.00 C ATOM 1100 O LEU A 66 82.383 8.748 8.104 1.00 0.00 O ATOM 1101 CB LEU A 66 79.594 8.121 9.680 1.00 0.00 C ATOM 1102 CG LEU A 66 79.972 7.416 10.983 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.922 8.305 11.788 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.707 7.149 11.802 1.00 0.00 C ATOM 0 H LEU A 66 79.603 5.668 9.283 1.00 0.00 H new ATOM 0 HA LEU A 66 80.019 7.919 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.814 9.186 9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.523 8.028 9.501 1.00 0.00 H new ATOM 0 HG LEU A 66 80.465 6.471 10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 66 81.191 7.802 12.717 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.823 8.497 11.205 1.00 0.00 H new ATOM 0 HD13 LEU A 66 80.430 9.250 12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.975 6.646 12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 78.215 8.094 12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 66 78.030 6.516 11.229 1.00 0.00 H new ATOM 1116 N ARG A 67 82.559 7.034 9.467 1.00 0.00 N ATOM 1117 CA ARG A 67 84.015 7.281 9.669 1.00 0.00 C ATOM 1118 C ARG A 67 84.701 7.460 8.313 1.00 0.00 C ATOM 1119 O ARG A 67 85.768 8.031 8.219 1.00 0.00 O ATOM 1120 CB ARG A 67 84.636 6.090 10.402 1.00 0.00 C ATOM 1121 CG ARG A 67 84.423 4.817 9.581 1.00 0.00 C ATOM 1122 CD ARG A 67 85.732 4.428 8.890 1.00 0.00 C ATOM 1123 NE ARG A 67 86.507 3.511 9.772 1.00 0.00 N ATOM 1124 CZ ARG A 67 85.927 2.470 10.301 1.00 0.00 C ATOM 1125 NH1 ARG A 67 85.854 1.352 9.631 1.00 0.00 N ATOM 1126 NH2 ARG A 67 85.419 2.544 11.501 1.00 0.00 N ATOM 0 H ARG A 67 82.180 6.236 9.977 1.00 0.00 H new ATOM 0 HA ARG A 67 84.149 8.185 10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 67 85.701 6.261 10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.183 5.980 11.387 1.00 0.00 H new ATOM 0 HG2 ARG A 67 84.087 4.007 10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 67 83.641 4.977 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.522 3.942 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 67 86.318 5.320 8.670 1.00 0.00 H new ATOM 0 HE ARG A 67 87.492 3.698 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 67 86.251 1.293 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 67 85.400 0.538 10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.476 3.417 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 67 84.965 1.729 11.914 1.00 0.00 H new ATOM 1140 N TYR A 68 84.104 6.970 7.262 1.00 0.00 N ATOM 1141 CA TYR A 68 84.727 7.110 5.921 1.00 0.00 C ATOM 1142 C TYR A 68 84.476 8.519 5.373 1.00 0.00 C ATOM 1143 O TYR A 68 85.394 9.290 5.179 1.00 0.00 O ATOM 1144 CB TYR A 68 84.122 6.076 4.967 1.00 0.00 C ATOM 1145 CG TYR A 68 85.200 5.545 4.053 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.990 4.461 4.458 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.410 6.135 2.801 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.989 3.969 3.610 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.409 5.643 1.953 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.199 4.560 2.358 1.00 0.00 C ATOM 1151 OH TYR A 68 88.184 4.074 1.522 1.00 0.00 O ATOM 0 H TYR A 68 83.210 6.478 7.276 1.00 0.00 H new ATOM 0 HA TYR A 68 85.801 6.945 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.676 5.259 5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.323 6.530 4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.828 4.005 5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.801 6.970 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.598 3.133 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.570 6.098 0.987 1.00 0.00 H new ATOM 0 HH TYR A 68 88.196 4.596 0.693 1.00 0.00 H new ATOM 1161 N LEU A 69 83.242 8.854 5.109 1.00 0.00 N ATOM 1162 CA LEU A 69 82.937 10.204 4.561 1.00 0.00 C ATOM 1163 C LEU A 69 82.770 11.214 5.699 1.00 0.00 C ATOM 1164 O LEU A 69 83.346 12.283 5.680 1.00 0.00 O ATOM 1165 CB LEU A 69 81.644 10.140 3.745 1.00 0.00 C ATOM 1166 CG LEU A 69 81.414 11.483 3.049 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.244 11.543 1.767 1.00 0.00 C ATOM 1168 CD2 LEU A 69 79.930 11.629 2.703 1.00 0.00 C ATOM 0 H LEU A 69 82.432 8.250 5.250 1.00 0.00 H new ATOM 0 HA LEU A 69 83.762 10.522 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.707 9.341 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.802 9.907 4.396 1.00 0.00 H new ATOM 0 HG LEU A 69 81.715 12.293 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.080 12.500 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.301 11.438 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.944 10.734 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.764 12.585 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.630 10.819 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.337 11.587 3.617 1.00 0.00 H new ATOM 1180 N GLN A 70 81.980 10.893 6.687 1.00 0.00 N ATOM 1181 CA GLN A 70 81.777 11.846 7.814 1.00 0.00 C ATOM 1182 C GLN A 70 83.135 12.332 8.332 1.00 0.00 C ATOM 1183 O GLN A 70 83.238 13.369 8.955 1.00 0.00 O ATOM 1184 CB GLN A 70 81.033 11.139 8.948 1.00 0.00 C ATOM 1185 CG GLN A 70 80.848 12.107 10.116 1.00 0.00 C ATOM 1186 CD GLN A 70 82.064 12.034 11.040 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.601 10.969 11.274 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.527 13.128 11.579 1.00 0.00 N ATOM 0 H GLN A 70 81.468 10.014 6.762 1.00 0.00 H new ATOM 0 HA GLN A 70 81.195 12.698 7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.063 10.786 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.593 10.262 9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.723 13.123 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.943 11.857 10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.078 14.023 11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.338 13.089 12.196 1.00 0.00 H new ATOM 1197 N ARG A 71 84.175 11.582 8.087 1.00 0.00 N ATOM 1198 CA ARG A 71 85.524 11.984 8.574 1.00 0.00 C ATOM 1199 C ARG A 71 86.160 12.982 7.604 1.00 0.00 C ATOM 1200 O ARG A 71 86.847 13.900 8.007 1.00 0.00 O ATOM 1201 CB ARG A 71 86.417 10.748 8.685 1.00 0.00 C ATOM 1202 CG ARG A 71 86.199 10.084 10.045 1.00 0.00 C ATOM 1203 CD ARG A 71 87.161 8.903 10.198 1.00 0.00 C ATOM 1204 NE ARG A 71 88.032 9.124 11.388 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.506 8.102 12.046 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.082 7.122 11.405 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.406 8.061 13.347 1.00 0.00 N ATOM 0 H ARG A 71 84.147 10.704 7.568 1.00 0.00 H new ATOM 0 HA ARG A 71 85.420 12.453 9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.186 10.046 7.884 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.463 11.030 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 71 86.363 10.806 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.168 9.741 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.600 7.975 10.312 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.772 8.799 9.301 1.00 0.00 H new ATOM 0 HE ARG A 71 88.257 10.073 11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.162 7.155 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.452 6.323 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 71 87.957 8.828 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 71 88.776 7.262 13.862 1.00 0.00 H new ATOM 1221 N GLU A 72 85.945 12.811 6.327 1.00 0.00 N ATOM 1222 CA GLU A 72 86.545 13.748 5.339 1.00 0.00 C ATOM 1223 C GLU A 72 85.637 14.953 5.138 1.00 0.00 C ATOM 1224 O GLU A 72 85.750 15.689 4.178 1.00 0.00 O ATOM 1225 CB GLU A 72 86.729 13.031 4.011 1.00 0.00 C ATOM 1226 CG GLU A 72 87.904 12.063 4.117 1.00 0.00 C ATOM 1227 CD GLU A 72 88.421 11.727 2.717 1.00 0.00 C ATOM 1228 OE1 GLU A 72 87.902 10.797 2.123 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.326 12.408 2.263 1.00 0.00 O ATOM 0 H GLU A 72 85.379 12.062 5.927 1.00 0.00 H new ATOM 0 HA GLU A 72 87.510 14.088 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 85.820 12.490 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 72 86.910 13.755 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.701 12.507 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.593 11.152 4.629 1.00 0.00 H new ATOM 1236 N ASP A 73 84.743 15.147 6.043 1.00 0.00 N ATOM 1237 CA ASP A 73 83.801 16.296 5.948 1.00 0.00 C ATOM 1238 C ASP A 73 82.599 16.037 6.862 1.00 0.00 C ATOM 1239 O ASP A 73 81.839 15.119 6.628 1.00 0.00 O ATOM 1240 CB ASP A 73 83.315 16.436 4.503 1.00 0.00 C ATOM 1241 CG ASP A 73 83.871 17.726 3.899 1.00 0.00 C ATOM 1242 OD1 ASP A 73 84.002 18.692 4.633 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.155 17.727 2.714 1.00 0.00 O ATOM 0 H ASP A 73 84.614 14.554 6.863 1.00 0.00 H new ATOM 0 HA ASP A 73 84.307 17.212 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.639 15.578 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.225 16.449 4.474 1.00 0.00 H new ATOM 1248 N PRO A 74 82.452 16.857 7.874 1.00 0.00 N ATOM 1249 CA PRO A 74 81.338 16.730 8.825 1.00 0.00 C ATOM 1250 C PRO A 74 80.057 17.239 8.171 1.00 0.00 C ATOM 1251 O PRO A 74 78.967 16.798 8.477 1.00 0.00 O ATOM 1252 CB PRO A 74 81.761 17.609 10.004 1.00 0.00 C ATOM 1253 CG PRO A 74 82.798 18.612 9.446 1.00 0.00 C ATOM 1254 CD PRO A 74 83.366 17.981 8.160 1.00 0.00 C ATOM 0 HA PRO A 74 81.138 15.706 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 74 80.903 18.131 10.427 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.193 17.007 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 74 82.332 19.574 9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 74 83.591 18.795 10.172 1.00 0.00 H new ATOM 0 HD2 PRO A 74 83.385 18.698 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.390 17.635 8.304 1.00 0.00 H new ATOM 1262 N GLU A 75 80.191 18.145 7.247 1.00 0.00 N ATOM 1263 CA GLU A 75 78.998 18.668 6.539 1.00 0.00 C ATOM 1264 C GLU A 75 78.538 17.609 5.540 1.00 0.00 C ATOM 1265 O GLU A 75 77.448 17.669 5.009 1.00 0.00 O ATOM 1266 CB GLU A 75 79.357 19.959 5.799 1.00 0.00 C ATOM 1267 CG GLU A 75 80.165 20.871 6.724 1.00 0.00 C ATOM 1268 CD GLU A 75 80.191 22.289 6.150 1.00 0.00 C ATOM 1269 OE1 GLU A 75 79.365 22.576 5.299 1.00 0.00 O ATOM 1270 OE2 GLU A 75 81.036 23.061 6.569 1.00 0.00 O ATOM 0 H GLU A 75 81.081 18.547 6.952 1.00 0.00 H new ATOM 0 HA GLU A 75 78.202 18.887 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.934 19.729 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 75 78.450 20.467 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 75 79.723 20.879 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 75 81.181 20.491 6.829 1.00 0.00 H new ATOM 1277 N ARG A 76 79.364 16.627 5.293 1.00 0.00 N ATOM 1278 CA ARG A 76 78.985 15.548 4.354 1.00 0.00 C ATOM 1279 C ARG A 76 78.252 14.466 5.144 1.00 0.00 C ATOM 1280 O ARG A 76 77.482 13.696 4.603 1.00 0.00 O ATOM 1281 CB ARG A 76 80.241 14.956 3.710 1.00 0.00 C ATOM 1282 CG ARG A 76 80.606 15.767 2.465 1.00 0.00 C ATOM 1283 CD ARG A 76 82.040 15.439 2.046 1.00 0.00 C ATOM 1284 NE ARG A 76 82.071 15.117 0.591 1.00 0.00 N ATOM 1285 CZ ARG A 76 82.942 15.699 -0.187 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.217 15.595 0.068 1.00 0.00 N ATOM 1287 NH2 ARG A 76 82.537 16.385 -1.221 1.00 0.00 N ATOM 0 H ARG A 76 80.291 16.531 5.708 1.00 0.00 H new ATOM 0 HA ARG A 76 78.342 15.942 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.067 14.969 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.068 13.914 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 76 79.917 15.537 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 76 80.511 16.833 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 76 82.694 16.285 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.415 14.595 2.624 1.00 0.00 H new ATOM 0 HE ARG A 76 81.412 14.442 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.533 15.059 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 76 84.898 16.050 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.540 16.466 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 76 83.218 16.840 -1.829 1.00 0.00 H new ATOM 1301 N TYR A 77 78.480 14.413 6.431 1.00 0.00 N ATOM 1302 CA TYR A 77 77.796 13.400 7.272 1.00 0.00 C ATOM 1303 C TYR A 77 76.416 13.926 7.668 1.00 0.00 C ATOM 1304 O TYR A 77 76.006 13.817 8.806 1.00 0.00 O ATOM 1305 CB TYR A 77 78.602 13.146 8.543 1.00 0.00 C ATOM 1306 CG TYR A 77 77.948 12.037 9.332 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.635 10.825 8.704 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.656 12.219 10.688 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.029 9.796 9.433 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.050 11.188 11.418 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.737 9.976 10.790 1.00 0.00 C ATOM 1312 OH TYR A 77 76.141 8.961 11.509 1.00 0.00 O ATOM 0 H TYR A 77 79.115 15.034 6.933 1.00 0.00 H new ATOM 0 HA TYR A 77 77.703 12.473 6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.626 12.873 8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.653 14.054 9.143 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.861 10.685 7.657 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.898 13.154 11.172 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.786 8.862 8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.824 11.328 12.465 1.00 0.00 H new ATOM 0 HH TYR A 77 76.009 9.251 12.436 1.00 0.00 H new ATOM 1322 N ARG A 78 75.705 14.516 6.751 1.00 0.00 N ATOM 1323 CA ARG A 78 74.371 15.066 7.091 1.00 0.00 C ATOM 1324 C ARG A 78 73.471 15.045 5.855 1.00 0.00 C ATOM 1325 O ARG A 78 72.483 15.748 5.786 1.00 0.00 O ATOM 1326 CB ARG A 78 74.541 16.509 7.574 1.00 0.00 C ATOM 1327 CG ARG A 78 75.242 17.319 6.486 1.00 0.00 C ATOM 1328 CD ARG A 78 74.197 17.940 5.558 1.00 0.00 C ATOM 1329 NE ARG A 78 74.388 19.417 5.514 1.00 0.00 N ATOM 1330 CZ ARG A 78 73.941 20.102 4.496 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.078 19.634 3.285 1.00 0.00 N ATOM 1332 NH2 ARG A 78 73.358 21.253 4.690 1.00 0.00 N ATOM 0 H ARG A 78 75.992 14.640 5.780 1.00 0.00 H new ATOM 0 HA ARG A 78 73.913 14.461 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 78 73.569 16.947 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 78 75.124 16.531 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.854 18.101 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.914 16.677 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 78 74.289 17.520 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 78 73.194 17.703 5.912 1.00 0.00 H new ATOM 0 HE ARG A 78 74.867 19.893 6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 78 74.534 18.734 3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 78 73.729 20.168 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 78 73.251 21.618 5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 78 73.009 21.788 3.895 1.00 0.00 H new ATOM 1346 N ALA A 79 73.800 14.246 4.878 1.00 0.00 N ATOM 1347 CA ALA A 79 72.959 14.193 3.659 1.00 0.00 C ATOM 1348 C ALA A 79 72.697 12.747 3.272 1.00 0.00 C ATOM 1349 O ALA A 79 71.572 12.289 3.261 1.00 0.00 O ATOM 1350 CB ALA A 79 73.670 14.917 2.518 1.00 0.00 C ATOM 0 H ALA A 79 74.613 13.631 4.875 1.00 0.00 H new ATOM 0 HA ALA A 79 72.005 14.682 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.052 14.878 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 79 73.840 15.957 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.627 14.433 2.320 1.00 0.00 H new ATOM 1356 N LEU A 80 73.724 12.018 2.970 1.00 0.00 N ATOM 1357 CA LEU A 80 73.531 10.592 2.601 1.00 0.00 C ATOM 1358 C LEU A 80 73.056 9.825 3.832 1.00 0.00 C ATOM 1359 O LEU A 80 72.701 8.668 3.756 1.00 0.00 O ATOM 1360 CB LEU A 80 74.849 10.002 2.092 1.00 0.00 C ATOM 1361 CG LEU A 80 75.642 11.078 1.350 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.876 11.460 2.169 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.085 10.532 -0.010 1.00 0.00 C ATOM 0 H LEU A 80 74.690 12.344 2.962 1.00 0.00 H new ATOM 0 HA LEU A 80 72.786 10.513 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.433 9.617 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.650 9.161 1.428 1.00 0.00 H new ATOM 0 HG LEU A 80 75.015 11.958 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 80 77.441 12.227 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 80 76.564 11.845 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.504 10.581 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.651 11.297 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 80 76.712 9.653 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 80 75.207 10.257 -0.595 1.00 0.00 H new ATOM 1375 N ILE A 81 73.018 10.466 4.967 1.00 0.00 N ATOM 1376 CA ILE A 81 72.536 9.768 6.180 1.00 0.00 C ATOM 1377 C ILE A 81 71.015 9.646 6.051 1.00 0.00 C ATOM 1378 O ILE A 81 70.404 8.683 6.466 1.00 0.00 O ATOM 1379 CB ILE A 81 72.948 10.551 7.454 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.748 11.278 8.071 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.035 11.564 7.132 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.983 10.301 8.962 1.00 0.00 C ATOM 0 H ILE A 81 73.299 11.437 5.102 1.00 0.00 H new ATOM 0 HA ILE A 81 72.980 8.777 6.271 1.00 0.00 H new ATOM 0 HB ILE A 81 73.328 9.826 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.085 12.135 8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.096 11.663 7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.310 12.103 8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 81 74.910 11.046 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 81 73.666 12.270 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.127 10.808 9.406 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.636 9.459 8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.640 9.938 9.752 1.00 0.00 H new ATOM 1394 N GLU A 82 70.400 10.623 5.460 1.00 0.00 N ATOM 1395 CA GLU A 82 68.931 10.569 5.292 1.00 0.00 C ATOM 1396 C GLU A 82 68.572 9.895 3.962 1.00 0.00 C ATOM 1397 O GLU A 82 67.411 9.719 3.649 1.00 0.00 O ATOM 1398 CB GLU A 82 68.362 11.990 5.315 1.00 0.00 C ATOM 1399 CG GLU A 82 68.302 12.494 6.758 1.00 0.00 C ATOM 1400 CD GLU A 82 67.023 11.986 7.426 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.083 11.687 6.708 1.00 0.00 O ATOM 1402 OE2 GLU A 82 67.005 11.904 8.643 1.00 0.00 O ATOM 0 H GLU A 82 70.852 11.457 5.086 1.00 0.00 H new ATOM 0 HA GLU A 82 68.503 9.988 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 82 68.985 12.652 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 82 67.366 12.001 4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 82 69.175 12.148 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.325 13.584 6.775 1.00 0.00 H new ATOM 1409 N LYS A 83 69.543 9.519 3.165 1.00 0.00 N ATOM 1410 CA LYS A 83 69.208 8.875 1.869 1.00 0.00 C ATOM 1411 C LYS A 83 69.895 7.509 1.742 1.00 0.00 C ATOM 1412 O LYS A 83 70.196 7.064 0.652 1.00 0.00 O ATOM 1413 CB LYS A 83 69.659 9.777 0.719 1.00 0.00 C ATOM 1414 CG LYS A 83 69.126 11.194 0.943 1.00 0.00 C ATOM 1415 CD LYS A 83 69.229 11.990 -0.361 1.00 0.00 C ATOM 1416 CE LYS A 83 67.851 12.541 -0.734 1.00 0.00 C ATOM 1417 NZ LYS A 83 67.945 14.014 -0.938 1.00 0.00 N ATOM 0 H LYS A 83 70.538 9.631 3.357 1.00 0.00 H new ATOM 0 HA LYS A 83 68.129 8.727 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.747 9.792 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.293 9.385 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.089 11.155 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.696 11.688 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 83 69.940 12.808 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.605 11.352 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 83 67.488 12.060 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.132 12.317 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 67.009 14.390 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.273 14.466 -0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 68.618 14.216 -1.704 1.00 0.00 H new ATOM 1431 N LEU A 84 70.152 6.835 2.833 1.00 0.00 N ATOM 1432 CA LEU A 84 70.820 5.509 2.734 1.00 0.00 C ATOM 1433 C LEU A 84 70.283 4.538 3.791 1.00 0.00 C ATOM 1434 O LEU A 84 69.701 3.521 3.475 1.00 0.00 O ATOM 1435 CB LEU A 84 72.321 5.691 2.931 1.00 0.00 C ATOM 1436 CG LEU A 84 72.833 6.712 1.921 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.312 6.998 2.188 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.674 6.150 0.507 1.00 0.00 C ATOM 0 H LEU A 84 69.929 7.144 3.779 1.00 0.00 H new ATOM 0 HA LEU A 84 70.614 5.090 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.529 6.028 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.836 4.740 2.799 1.00 0.00 H new ATOM 0 HG LEU A 84 72.261 7.635 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.678 7.728 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.430 7.395 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.884 6.075 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.039 6.878 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.248 5.228 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.621 5.943 0.314 1.00 0.00 H new ATOM 1450 N GLY A 85 70.496 4.833 5.040 1.00 0.00 N ATOM 1451 CA GLY A 85 70.023 3.917 6.122 1.00 0.00 C ATOM 1452 C GLY A 85 71.063 3.915 7.243 1.00 0.00 C ATOM 1453 O GLY A 85 71.535 2.884 7.682 1.00 0.00 O ATOM 0 H GLY A 85 70.979 5.671 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.056 4.247 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.885 2.909 5.732 1.00 0.00 H new ATOM 1457 N ILE A 86 71.439 5.080 7.674 1.00 0.00 N ATOM 1458 CA ILE A 86 72.463 5.237 8.728 1.00 0.00 C ATOM 1459 C ILE A 86 71.812 5.202 10.119 1.00 0.00 C ATOM 1460 O ILE A 86 71.734 4.164 10.745 1.00 0.00 O ATOM 1461 CB ILE A 86 73.134 6.587 8.463 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.815 7.142 9.697 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.086 7.589 8.009 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.496 6.018 10.478 1.00 0.00 C ATOM 0 H ILE A 86 71.062 5.961 7.324 1.00 0.00 H new ATOM 0 HA ILE A 86 73.192 4.427 8.707 1.00 0.00 H new ATOM 0 HB ILE A 86 73.891 6.427 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.552 7.891 9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.083 7.643 10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.561 8.552 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.613 7.231 7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.331 7.704 8.787 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.981 6.431 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.751 5.284 10.783 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.242 5.536 9.846 1.00 0.00 H new ATOM 1476 N ARG A 87 71.342 6.316 10.609 1.00 0.00 N ATOM 1477 CA ARG A 87 70.708 6.345 11.932 1.00 0.00 C ATOM 1478 C ARG A 87 69.193 6.313 11.756 1.00 0.00 C ATOM 1479 O ARG A 87 68.647 5.442 11.108 1.00 0.00 O ATOM 1480 CB ARG A 87 71.153 7.622 12.648 1.00 0.00 C ATOM 1481 CG ARG A 87 72.669 7.594 12.851 1.00 0.00 C ATOM 1482 CD ARG A 87 73.002 8.041 14.276 1.00 0.00 C ATOM 1483 NE ARG A 87 73.872 7.020 14.927 1.00 0.00 N ATOM 1484 CZ ARG A 87 73.361 5.889 15.332 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.227 4.896 14.495 1.00 0.00 N ATOM 1486 NH2 ARG A 87 72.984 5.749 16.574 1.00 0.00 N ATOM 0 H ARG A 87 71.377 7.216 10.131 1.00 0.00 H new ATOM 0 HA ARG A 87 71.002 5.482 12.529 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.870 8.497 12.062 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.648 7.706 13.611 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.052 6.589 12.675 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.155 8.251 12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.508 9.006 14.257 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.085 8.173 14.851 1.00 0.00 H new ATOM 0 HE ARG A 87 74.867 7.205 15.056 1.00 0.00 H new ATOM 0 HH11 ARG A 87 73.522 5.004 13.524 1.00 0.00 H new ATOM 0 HH12 ARG A 87 72.828 4.012 14.812 1.00 0.00 H new ATOM 0 HH21 ARG A 87 73.089 6.524 17.229 1.00 0.00 H new ATOM 0 HH22 ARG A 87 72.585 4.865 16.889 1.00 0.00 H new ATOM 1500 N GLY A 88 68.521 7.252 12.324 1.00 0.00 N ATOM 1501 CA GLY A 88 67.037 7.299 12.203 1.00 0.00 C ATOM 1502 C GLY A 88 66.639 8.384 11.202 1.00 0.00 C ATOM 1503 O GLY A 88 66.354 8.039 10.066 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.624 9.542 11.586 1.00 0.00 O ATOM 0 H GLY A 88 68.932 8.004 12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.658 6.331 11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.589 7.505 13.175 1.00 0.00 H new TER 1508 GLY A 88