USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= 0.379 K(o=0.8,f=-2!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 175:sc= 0.421 (180deg=0) USER MOD Set 2.1: A 16 GLN : amide:sc= 0.279 K(o=0.74,f=-1) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 179:sc= 0.466 (180deg=0) USER MOD Set 3.1: A 18 THR OG1 : rot 78:sc= 1.14 USER MOD Set 3.2: A 23 SER OG : rot 60:sc= 0.428 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0154 (180deg=-0.215) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0916) USER MOD Single : A 3 HIS : no HD1:sc=-0.00976 X(o=-0.0098,f=-0.0098) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 6 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.24) USER MOD Single : A 7 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-3.4!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 119:sc= 1.54 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -140:sc= -0.0779 (180deg=-0.616) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 22 ASN : amide:sc= -0.008 X(o=-0.008,f=-0.013) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -120:sc= -1.33 (180deg=-2.81) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 59:sc= 0.963 USER MOD Single : A 54 GLN : amide:sc= -0.311 K(o=-0.31,f=-4.2!) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc=-0.000735 (180deg=-0.101) USER MOD Single : A 63 SER OG : rot -71:sc= 0.859 USER MOD Single : A 70 SER OG : rot -140:sc= -0.432 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.049 (180deg=0.0443) USER MOD Single : A 77 ASN : amide:sc= -0.92 K(o=-0.92,f=-4.3!) USER MOD Single : A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 94 MET CE :methyl -131:sc= -0.51 (180deg=-0.925) USER MOD Single : A 99 SER OG : rot 76:sc= 0.645 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0668 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.791 2.284 31.584 1.00 64.34 N ATOM 2 CA MET A 1 -18.478 2.975 31.595 1.00 44.30 C ATOM 3 C MET A 1 -17.364 1.948 31.343 1.00 65.25 C ATOM 4 O MET A 1 -17.122 1.076 32.186 1.00 73.01 O ATOM 5 CB MET A 1 -18.254 3.734 32.941 1.00 51.43 C ATOM 6 CG MET A 1 -19.254 4.874 33.194 1.00 32.02 C ATOM 7 SD MET A 1 -19.032 5.695 34.790 1.00 11.03 S ATOM 8 CE MET A 1 -17.411 6.431 34.612 1.00 50.51 C ATOM 0 H1 MET A 1 -20.555 2.990 31.584 1.00 64.34 H new ATOM 0 H2 MET A 1 -19.865 1.693 30.731 1.00 64.34 H new ATOM 0 H3 MET A 1 -19.874 1.684 32.429 1.00 64.34 H new ATOM 0 HA MET A 1 -18.459 3.721 30.800 1.00 44.30 H new ATOM 0 HB2 MET A 1 -18.318 3.021 33.763 1.00 51.43 H new ATOM 0 HB3 MET A 1 -17.244 4.143 32.951 1.00 51.43 H new ATOM 0 HG2 MET A 1 -19.158 5.613 32.399 1.00 32.02 H new ATOM 0 HG3 MET A 1 -20.267 4.476 33.138 1.00 32.02 H new ATOM 0 HE1 MET A 1 -17.240 7.136 35.426 1.00 50.51 H new ATOM 0 HE2 MET A 1 -16.651 5.650 34.643 1.00 50.51 H new ATOM 0 HE3 MET A 1 -17.353 6.956 33.659 1.00 50.51 H new ATOM 20 N GLY A 2 -16.716 2.038 30.169 1.00 24.33 N ATOM 21 CA GLY A 2 -15.627 1.141 29.790 1.00 55.41 C ATOM 22 C GLY A 2 -15.229 1.352 28.337 1.00 61.34 C ATOM 23 O GLY A 2 -16.080 1.707 27.506 1.00 45.51 O ATOM 0 H GLY A 2 -16.938 2.737 29.460 1.00 24.33 H new ATOM 0 HA2 GLY A 2 -14.766 1.315 30.436 1.00 55.41 H new ATOM 0 HA3 GLY A 2 -15.934 0.106 29.940 1.00 55.41 H new ATOM 27 N HIS A 3 -13.939 1.137 28.031 1.00 13.30 N ATOM 28 CA HIS A 3 -13.380 1.298 26.675 1.00 23.12 C ATOM 29 C HIS A 3 -12.111 0.441 26.515 1.00 43.15 C ATOM 30 O HIS A 3 -11.026 0.930 26.164 1.00 5.51 O ATOM 31 CB HIS A 3 -13.133 2.805 26.344 1.00 63.35 C ATOM 32 CG HIS A 3 -12.188 3.543 27.274 1.00 73.10 C ATOM 33 ND1 HIS A 3 -10.968 4.043 26.861 1.00 31.03 N ATOM 34 CD2 HIS A 3 -12.304 3.890 28.582 1.00 60.24 C ATOM 35 CE1 HIS A 3 -10.380 4.653 27.870 1.00 54.02 C ATOM 36 NE2 HIS A 3 -11.170 4.577 28.921 1.00 4.21 N ATOM 0 H HIS A 3 -13.248 0.844 28.722 1.00 13.30 H new ATOM 0 HA HIS A 3 -14.108 0.938 25.948 1.00 23.12 H new ATOM 0 HB2 HIS A 3 -12.741 2.874 25.329 1.00 63.35 H new ATOM 0 HB3 HIS A 3 -14.094 3.320 26.350 1.00 63.35 H new ATOM 0 HD2 HIS A 3 -13.136 3.666 29.233 1.00 60.24 H new ATOM 0 HE1 HIS A 3 -9.414 5.134 27.840 1.00 54.02 H new ATOM 0 HE2 HIS A 3 -10.969 4.968 29.841 1.00 4.21 H new ATOM 45 N HIS A 4 -12.267 -0.858 26.803 1.00 74.23 N ATOM 46 CA HIS A 4 -11.212 -1.866 26.621 1.00 33.33 C ATOM 47 C HIS A 4 -11.459 -2.593 25.289 1.00 60.00 C ATOM 48 O HIS A 4 -12.089 -3.658 25.250 1.00 55.00 O ATOM 49 CB HIS A 4 -11.191 -2.851 27.826 1.00 15.22 C ATOM 50 CG HIS A 4 -10.104 -3.907 27.780 1.00 11.22 C ATOM 51 ND1 HIS A 4 -8.832 -3.701 28.273 1.00 61.31 N ATOM 52 CD2 HIS A 4 -10.110 -5.187 27.316 1.00 23.43 C ATOM 53 CE1 HIS A 4 -8.115 -4.794 28.115 1.00 23.14 C ATOM 54 NE2 HIS A 4 -8.867 -5.714 27.539 1.00 75.42 N ATOM 0 H HIS A 4 -13.136 -1.243 27.172 1.00 74.23 H new ATOM 0 HA HIS A 4 -10.232 -1.390 26.585 1.00 33.33 H new ATOM 0 HB2 HIS A 4 -11.076 -2.274 28.744 1.00 15.22 H new ATOM 0 HB3 HIS A 4 -12.158 -3.351 27.883 1.00 15.22 H new ATOM 0 HD2 HIS A 4 -10.945 -5.695 26.855 1.00 23.43 H new ATOM 0 HE1 HIS A 4 -7.083 -4.918 28.408 1.00 23.14 H new ATOM 0 HE2 HIS A 4 -8.571 -6.660 27.300 1.00 75.42 H new ATOM 63 N HIS A 5 -11.017 -1.962 24.187 1.00 25.14 N ATOM 64 CA HIS A 5 -11.119 -2.539 22.835 1.00 3.04 C ATOM 65 C HIS A 5 -9.900 -3.433 22.586 1.00 61.02 C ATOM 66 O HIS A 5 -8.838 -2.947 22.175 1.00 21.01 O ATOM 67 CB HIS A 5 -11.218 -1.428 21.756 1.00 40.33 C ATOM 68 CG HIS A 5 -12.468 -0.600 21.825 1.00 61.41 C ATOM 69 ND1 HIS A 5 -12.478 0.762 21.624 1.00 10.42 N ATOM 70 CD2 HIS A 5 -13.759 -0.956 22.025 1.00 54.21 C ATOM 71 CE1 HIS A 5 -13.718 1.201 21.692 1.00 62.44 C ATOM 72 NE2 HIS A 5 -14.509 0.176 21.932 1.00 13.52 N ATOM 0 H HIS A 5 -10.580 -1.040 24.208 1.00 25.14 H new ATOM 0 HA HIS A 5 -12.029 -3.134 22.767 1.00 3.04 H new ATOM 0 HB2 HIS A 5 -10.355 -0.769 21.852 1.00 40.33 H new ATOM 0 HB3 HIS A 5 -11.158 -1.890 20.771 1.00 40.33 H new ATOM 0 HD2 HIS A 5 -14.125 -1.953 22.222 1.00 54.21 H new ATOM 0 HE1 HIS A 5 -14.032 2.227 21.571 1.00 62.44 H new ATOM 0 HE2 HIS A 5 -15.523 0.223 22.032 1.00 13.52 H new ATOM 81 N HIS A 6 -10.053 -4.739 22.866 1.00 64.04 N ATOM 82 CA HIS A 6 -8.970 -5.733 22.736 1.00 73.35 C ATOM 83 C HIS A 6 -8.872 -6.263 21.280 1.00 2.31 C ATOM 84 O HIS A 6 -8.093 -7.188 21.023 1.00 31.50 O ATOM 85 CB HIS A 6 -9.207 -6.900 23.758 1.00 54.33 C ATOM 86 CG HIS A 6 -8.082 -7.918 23.844 1.00 22.25 C ATOM 87 ND1 HIS A 6 -6.908 -7.673 24.513 1.00 5.13 N ATOM 88 CD2 HIS A 6 -7.947 -9.167 23.319 1.00 62.43 C ATOM 89 CE1 HIS A 6 -6.107 -8.709 24.391 1.00 12.33 C ATOM 90 NE2 HIS A 6 -6.713 -9.627 23.674 1.00 42.14 N ATOM 0 H HIS A 6 -10.934 -5.138 23.190 1.00 64.04 H new ATOM 0 HA HIS A 6 -8.017 -5.256 22.966 1.00 73.35 H new ATOM 0 HB2 HIS A 6 -9.364 -6.470 24.747 1.00 54.33 H new ATOM 0 HB3 HIS A 6 -10.126 -7.419 23.487 1.00 54.33 H new ATOM 0 HD2 HIS A 6 -8.682 -9.696 22.730 1.00 62.43 H new ATOM 0 HE1 HIS A 6 -5.115 -8.791 24.811 1.00 12.33 H new ATOM 0 HE2 HIS A 6 -6.324 -10.536 23.423 1.00 42.14 H new ATOM 99 N HIS A 7 -9.656 -5.653 20.334 1.00 3.32 N ATOM 100 CA HIS A 7 -9.726 -6.086 18.911 1.00 1.13 C ATOM 101 C HIS A 7 -8.314 -6.346 18.329 1.00 41.21 C ATOM 102 O HIS A 7 -7.523 -5.423 18.110 1.00 33.42 O ATOM 103 CB HIS A 7 -10.550 -5.080 18.031 1.00 0.45 C ATOM 104 CG HIS A 7 -9.937 -3.707 17.822 1.00 11.11 C ATOM 105 ND1 HIS A 7 -10.079 -2.669 18.718 1.00 22.13 N ATOM 106 CD2 HIS A 7 -9.187 -3.207 16.804 1.00 53.34 C ATOM 107 CE1 HIS A 7 -9.443 -1.608 18.261 1.00 62.10 C ATOM 108 NE2 HIS A 7 -8.896 -1.910 17.105 1.00 24.21 N ATOM 0 H HIS A 7 -10.252 -4.852 20.543 1.00 3.32 H new ATOM 0 HA HIS A 7 -10.264 -7.034 18.887 1.00 1.13 H new ATOM 0 HB2 HIS A 7 -10.712 -5.534 17.053 1.00 0.45 H new ATOM 0 HB3 HIS A 7 -11.531 -4.950 18.488 1.00 0.45 H new ATOM 0 HD2 HIS A 7 -8.878 -3.741 15.918 1.00 53.34 H new ATOM 0 HE1 HIS A 7 -9.382 -0.650 18.755 1.00 62.10 H new ATOM 0 HE2 HIS A 7 -8.343 -1.277 16.527 1.00 24.21 H new ATOM 117 N HIS A 8 -7.979 -7.638 18.208 1.00 74.02 N ATOM 118 CA HIS A 8 -6.655 -8.090 17.781 1.00 62.32 C ATOM 119 C HIS A 8 -6.758 -8.640 16.372 1.00 25.21 C ATOM 120 O HIS A 8 -7.484 -9.615 16.138 1.00 43.21 O ATOM 121 CB HIS A 8 -6.114 -9.162 18.762 1.00 73.13 C ATOM 122 CG HIS A 8 -4.678 -9.553 18.524 1.00 45.21 C ATOM 123 ND1 HIS A 8 -3.619 -8.746 18.888 1.00 3.54 N ATOM 124 CD2 HIS A 8 -4.124 -10.666 17.990 1.00 42.30 C ATOM 125 CE1 HIS A 8 -2.488 -9.345 18.587 1.00 44.22 C ATOM 126 NE2 HIS A 8 -2.768 -10.511 18.043 1.00 50.22 N ATOM 0 H HIS A 8 -8.626 -8.401 18.406 1.00 74.02 H new ATOM 0 HA HIS A 8 -5.955 -7.254 17.786 1.00 62.32 H new ATOM 0 HB2 HIS A 8 -6.212 -8.788 19.781 1.00 73.13 H new ATOM 0 HB3 HIS A 8 -6.738 -10.053 18.688 1.00 73.13 H new ATOM 0 HD2 HIS A 8 -4.656 -11.519 17.595 1.00 42.30 H new ATOM 0 HE1 HIS A 8 -1.498 -8.948 18.757 1.00 44.22 H new ATOM 0 HE2 HIS A 8 -2.082 -11.190 17.714 1.00 50.22 H new ATOM 135 N SER A 9 -6.058 -7.981 15.439 1.00 52.20 N ATOM 136 CA SER A 9 -5.959 -8.427 14.057 1.00 25.25 C ATOM 137 C SER A 9 -5.207 -9.766 13.990 1.00 75.10 C ATOM 138 O SER A 9 -4.275 -10.011 14.777 1.00 73.02 O ATOM 139 CB SER A 9 -5.218 -7.371 13.195 1.00 10.12 C ATOM 140 OG SER A 9 -5.153 -7.774 11.833 1.00 72.00 O ATOM 0 H SER A 9 -5.545 -7.120 15.630 1.00 52.20 H new ATOM 0 HA SER A 9 -6.967 -8.557 13.664 1.00 25.25 H new ATOM 0 HB2 SER A 9 -5.731 -6.412 13.269 1.00 10.12 H new ATOM 0 HB3 SER A 9 -4.210 -7.224 13.582 1.00 10.12 H new ATOM 0 HG SER A 9 -5.614 -7.114 11.274 1.00 72.00 H new ATOM 146 N HIS A 10 -5.627 -10.617 13.050 1.00 42.32 N ATOM 147 CA HIS A 10 -4.945 -11.886 12.736 1.00 32.43 C ATOM 148 C HIS A 10 -3.666 -11.614 11.917 1.00 14.30 C ATOM 149 O HIS A 10 -2.795 -12.479 11.798 1.00 34.43 O ATOM 150 CB HIS A 10 -5.918 -12.837 11.994 1.00 64.22 C ATOM 151 CG HIS A 10 -7.150 -13.142 12.802 1.00 3.34 C ATOM 152 ND1 HIS A 10 -8.375 -12.570 12.553 1.00 15.21 N ATOM 153 CD2 HIS A 10 -7.339 -13.968 13.857 1.00 32.45 C ATOM 154 CE1 HIS A 10 -9.254 -13.024 13.414 1.00 41.31 C ATOM 155 NE2 HIS A 10 -8.654 -13.871 14.221 1.00 50.43 N ATOM 0 H HIS A 10 -6.455 -10.448 12.479 1.00 42.32 H new ATOM 0 HA HIS A 10 -4.642 -12.377 13.661 1.00 32.43 H new ATOM 0 HB2 HIS A 10 -6.211 -12.385 11.046 1.00 64.22 H new ATOM 0 HB3 HIS A 10 -5.402 -13.768 11.758 1.00 64.22 H new ATOM 0 HD2 HIS A 10 -6.590 -14.589 14.325 1.00 32.45 H new ATOM 0 HE1 HIS A 10 -10.297 -12.748 13.454 1.00 41.31 H new ATOM 0 HE2 HIS A 10 -9.096 -14.373 14.991 1.00 50.43 H new ATOM 164 N MET A 11 -3.584 -10.396 11.361 1.00 11.00 N ATOM 165 CA MET A 11 -2.357 -9.823 10.784 1.00 35.00 C ATOM 166 C MET A 11 -1.735 -8.861 11.822 1.00 73.14 C ATOM 167 O MET A 11 -2.197 -8.799 12.968 1.00 33.13 O ATOM 168 CB MET A 11 -2.707 -9.065 9.476 1.00 62.13 C ATOM 169 CG MET A 11 -3.358 -9.943 8.392 1.00 20.43 C ATOM 170 SD MET A 11 -2.325 -11.353 7.918 1.00 24.44 S ATOM 171 CE MET A 11 -0.854 -10.535 7.302 1.00 4.12 C ATOM 0 H MET A 11 -4.385 -9.768 11.298 1.00 11.00 H new ATOM 0 HA MET A 11 -1.641 -10.609 10.544 1.00 35.00 H new ATOM 0 HB2 MET A 11 -3.382 -8.243 9.715 1.00 62.13 H new ATOM 0 HB3 MET A 11 -1.797 -8.623 9.071 1.00 62.13 H new ATOM 0 HG2 MET A 11 -4.319 -10.308 8.755 1.00 20.43 H new ATOM 0 HG3 MET A 11 -3.561 -9.334 7.511 1.00 20.43 H new ATOM 0 HE1 MET A 11 -0.492 -11.056 6.416 1.00 4.12 H new ATOM 0 HE2 MET A 11 -1.093 -9.503 7.044 1.00 4.12 H new ATOM 0 HE3 MET A 11 -0.082 -10.547 8.071 1.00 4.12 H new ATOM 181 N PHE A 12 -0.685 -8.131 11.425 1.00 41.35 N ATOM 182 CA PHE A 12 -0.141 -7.007 12.214 1.00 73.11 C ATOM 183 C PHE A 12 0.556 -6.052 11.248 1.00 3.44 C ATOM 184 O PHE A 12 1.473 -6.457 10.535 1.00 14.31 O ATOM 185 CB PHE A 12 0.815 -7.477 13.369 1.00 14.24 C ATOM 186 CG PHE A 12 2.105 -8.204 12.948 1.00 63.12 C ATOM 187 CD1 PHE A 12 2.095 -9.569 12.650 1.00 44.52 C ATOM 188 CD2 PHE A 12 3.328 -7.523 12.854 1.00 65.11 C ATOM 189 CE1 PHE A 12 3.253 -10.226 12.273 1.00 4.11 C ATOM 190 CE2 PHE A 12 4.483 -8.182 12.473 1.00 62.05 C ATOM 191 CZ PHE A 12 4.446 -9.532 12.184 1.00 64.40 C ATOM 0 H PHE A 12 -0.186 -8.298 10.551 1.00 41.35 H new ATOM 0 HA PHE A 12 -0.960 -6.496 12.721 1.00 73.11 H new ATOM 0 HB2 PHE A 12 1.094 -6.602 13.956 1.00 14.24 H new ATOM 0 HB3 PHE A 12 0.252 -8.138 14.028 1.00 14.24 H new ATOM 0 HD1 PHE A 12 1.169 -10.120 12.715 1.00 44.52 H new ATOM 0 HD2 PHE A 12 3.368 -6.468 13.083 1.00 65.11 H new ATOM 0 HE1 PHE A 12 3.225 -11.282 12.048 1.00 4.11 H new ATOM 0 HE2 PHE A 12 5.415 -7.640 12.401 1.00 62.05 H new ATOM 0 HZ PHE A 12 5.349 -10.046 11.888 1.00 64.40 H new ATOM 201 N ILE A 13 0.101 -4.791 11.188 1.00 63.21 N ATOM 202 CA ILE A 13 0.658 -3.799 10.268 1.00 50.24 C ATOM 203 C ILE A 13 1.408 -2.741 11.083 1.00 12.44 C ATOM 204 O ILE A 13 0.794 -1.962 11.824 1.00 64.14 O ATOM 205 CB ILE A 13 -0.438 -3.136 9.364 1.00 50.21 C ATOM 206 CG1 ILE A 13 -1.270 -4.241 8.643 1.00 41.00 C ATOM 207 CG2 ILE A 13 0.216 -2.163 8.336 1.00 70.42 C ATOM 208 CD1 ILE A 13 -2.387 -3.722 7.769 1.00 62.12 C ATOM 0 H ILE A 13 -0.657 -4.437 11.772 1.00 63.21 H new ATOM 0 HA ILE A 13 1.344 -4.305 9.589 1.00 50.24 H new ATOM 0 HB ILE A 13 -1.112 -2.552 9.991 1.00 50.21 H new ATOM 0 HG12 ILE A 13 -0.597 -4.841 8.031 1.00 41.00 H new ATOM 0 HG13 ILE A 13 -1.695 -4.906 9.395 1.00 41.00 H new ATOM 0 HG21 ILE A 13 -0.560 -1.712 7.717 1.00 70.42 H new ATOM 0 HG22 ILE A 13 0.756 -1.380 8.869 1.00 70.42 H new ATOM 0 HG23 ILE A 13 0.910 -2.716 7.702 1.00 70.42 H new ATOM 0 HD11 ILE A 13 -2.909 -4.561 7.310 1.00 62.12 H new ATOM 0 HD12 ILE A 13 -3.087 -3.147 8.376 1.00 62.12 H new ATOM 0 HD13 ILE A 13 -1.972 -3.082 6.990 1.00 62.12 H new ATOM 220 N GLN A 14 2.736 -2.745 10.951 1.00 24.34 N ATOM 221 CA GLN A 14 3.636 -1.837 11.680 1.00 41.45 C ATOM 222 C GLN A 14 4.320 -0.898 10.676 1.00 20.23 C ATOM 223 O GLN A 14 4.678 -1.309 9.571 1.00 43.23 O ATOM 224 CB GLN A 14 4.667 -2.660 12.507 1.00 51.23 C ATOM 225 CG GLN A 14 5.448 -3.714 11.699 1.00 14.33 C ATOM 226 CD GLN A 14 6.292 -4.650 12.568 1.00 1.11 C ATOM 227 OE1 GLN A 14 5.940 -4.941 13.711 1.00 2.22 O ATOM 228 NE2 GLN A 14 7.404 -5.134 12.035 1.00 5.13 N ATOM 0 H GLN A 14 3.227 -3.386 10.328 1.00 24.34 H new ATOM 0 HA GLN A 14 3.070 -1.228 12.385 1.00 41.45 H new ATOM 0 HB2 GLN A 14 5.378 -1.972 12.963 1.00 51.23 H new ATOM 0 HB3 GLN A 14 4.142 -3.161 13.320 1.00 51.23 H new ATOM 0 HG2 GLN A 14 4.744 -4.309 11.117 1.00 14.33 H new ATOM 0 HG3 GLN A 14 6.100 -3.206 10.988 1.00 14.33 H new ATOM 0 HE21 GLN A 14 7.669 -4.874 11.085 1.00 5.13 H new ATOM 0 HE22 GLN A 14 7.995 -5.766 12.575 1.00 5.13 H new ATOM 237 N THR A 15 4.481 0.363 11.072 1.00 40.54 N ATOM 238 CA THR A 15 4.936 1.435 10.178 1.00 32.12 C ATOM 239 C THR A 15 6.428 1.748 10.410 1.00 63.03 C ATOM 240 O THR A 15 6.875 1.900 11.549 1.00 2.51 O ATOM 241 CB THR A 15 4.057 2.718 10.381 1.00 44.54 C ATOM 242 OG1 THR A 15 4.013 3.056 11.773 1.00 62.13 O ATOM 243 CG2 THR A 15 2.616 2.520 9.872 1.00 24.40 C ATOM 0 H THR A 15 4.300 0.675 12.026 1.00 40.54 H new ATOM 0 HA THR A 15 4.823 1.098 9.148 1.00 32.12 H new ATOM 0 HB THR A 15 4.515 3.521 9.803 1.00 44.54 H new ATOM 0 HG1 THR A 15 3.465 3.859 11.898 1.00 62.13 H new ATOM 0 HG21 THR A 15 2.044 3.434 10.033 1.00 24.40 H new ATOM 0 HG22 THR A 15 2.635 2.287 8.807 1.00 24.40 H new ATOM 0 HG23 THR A 15 2.148 1.699 10.415 1.00 24.40 H new ATOM 251 N GLN A 16 7.182 1.827 9.302 1.00 22.13 N ATOM 252 CA GLN A 16 8.578 2.277 9.279 1.00 50.14 C ATOM 253 C GLN A 16 8.581 3.652 8.625 1.00 21.22 C ATOM 254 O GLN A 16 8.030 3.817 7.524 1.00 64.55 O ATOM 255 CB GLN A 16 9.497 1.307 8.472 1.00 61.14 C ATOM 256 CG GLN A 16 9.802 -0.021 9.172 1.00 52.51 C ATOM 257 CD GLN A 16 10.707 -0.962 8.366 1.00 2.22 C ATOM 258 OE1 GLN A 16 11.564 -0.529 7.594 1.00 11.01 O ATOM 259 NE2 GLN A 16 10.515 -2.261 8.534 1.00 64.44 N ATOM 0 H GLN A 16 6.828 1.574 8.379 1.00 22.13 H new ATOM 0 HA GLN A 16 8.972 2.304 10.295 1.00 50.14 H new ATOM 0 HB2 GLN A 16 9.025 1.096 7.513 1.00 61.14 H new ATOM 0 HB3 GLN A 16 10.438 1.814 8.259 1.00 61.14 H new ATOM 0 HG2 GLN A 16 10.275 0.187 10.132 1.00 52.51 H new ATOM 0 HG3 GLN A 16 8.863 -0.531 9.384 1.00 52.51 H new ATOM 0 HE21 GLN A 16 9.798 -2.591 9.180 1.00 64.44 H new ATOM 0 HE22 GLN A 16 11.084 -2.932 8.017 1.00 64.44 H new ATOM 268 N ASP A 17 9.165 4.634 9.311 1.00 12.21 N ATOM 269 CA ASP A 17 9.307 5.990 8.778 1.00 71.13 C ATOM 270 C ASP A 17 10.398 6.007 7.707 1.00 63.54 C ATOM 271 O ASP A 17 11.348 5.218 7.750 1.00 20.32 O ATOM 272 CB ASP A 17 9.626 7.000 9.904 1.00 5.21 C ATOM 273 CG ASP A 17 8.463 7.157 10.901 1.00 43.33 C ATOM 274 OD1 ASP A 17 7.568 8.002 10.664 1.00 41.41 O ATOM 275 OD2 ASP A 17 8.426 6.430 11.918 1.00 33.10 O ATOM 0 H ASP A 17 9.551 4.514 10.247 1.00 12.21 H new ATOM 0 HA ASP A 17 8.361 6.291 8.327 1.00 71.13 H new ATOM 0 HB2 ASP A 17 10.518 6.673 10.439 1.00 5.21 H new ATOM 0 HB3 ASP A 17 9.856 7.970 9.463 1.00 5.21 H new ATOM 280 N THR A 18 10.260 6.930 6.764 1.00 33.54 N ATOM 281 CA THR A 18 11.123 7.033 5.587 1.00 13.23 C ATOM 282 C THR A 18 11.674 8.473 5.519 1.00 61.54 C ATOM 283 O THR A 18 10.992 9.396 5.998 1.00 44.25 O ATOM 284 CB THR A 18 10.323 6.673 4.278 1.00 55.03 C ATOM 285 OG1 THR A 18 9.109 7.442 4.228 1.00 41.31 O ATOM 286 CG2 THR A 18 9.985 5.165 4.190 1.00 45.30 C ATOM 0 H THR A 18 9.532 7.644 6.793 1.00 33.54 H new ATOM 0 HA THR A 18 11.949 6.326 5.665 1.00 13.23 H new ATOM 0 HB THR A 18 10.961 6.916 3.428 1.00 55.03 H new ATOM 0 HG1 THR A 18 9.314 8.358 3.947 1.00 41.31 H new ATOM 0 HG21 THR A 18 9.434 4.969 3.270 1.00 45.30 H new ATOM 0 HG22 THR A 18 10.908 4.585 4.191 1.00 45.30 H new ATOM 0 HG23 THR A 18 9.375 4.878 5.047 1.00 45.30 H new ATOM 294 N PRO A 19 12.926 8.682 4.971 1.00 10.44 N ATOM 295 CA PRO A 19 13.514 10.033 4.724 1.00 40.43 C ATOM 296 C PRO A 19 12.531 11.050 4.092 1.00 21.33 C ATOM 297 O PRO A 19 12.606 12.252 4.380 1.00 0.10 O ATOM 298 CB PRO A 19 14.675 9.721 3.751 1.00 74.33 C ATOM 299 CG PRO A 19 15.145 8.356 4.170 1.00 42.42 C ATOM 300 CD PRO A 19 13.890 7.605 4.591 1.00 4.54 C ATOM 0 HA PRO A 19 13.811 10.514 5.656 1.00 40.43 H new ATOM 0 HB2 PRO A 19 14.339 9.726 2.714 1.00 74.33 H new ATOM 0 HB3 PRO A 19 15.472 10.460 3.831 1.00 74.33 H new ATOM 0 HG2 PRO A 19 15.651 7.846 3.350 1.00 42.42 H new ATOM 0 HG3 PRO A 19 15.857 8.422 4.992 1.00 42.42 H new ATOM 0 HD2 PRO A 19 13.501 6.992 3.778 1.00 4.54 H new ATOM 0 HD3 PRO A 19 14.089 6.935 5.428 1.00 4.54 H new ATOM 308 N ASN A 20 11.624 10.542 3.236 1.00 55.32 N ATOM 309 CA ASN A 20 10.563 11.342 2.599 1.00 3.44 C ATOM 310 C ASN A 20 9.244 11.162 3.389 1.00 22.44 C ATOM 311 O ASN A 20 8.669 10.076 3.358 1.00 25.34 O ATOM 312 CB ASN A 20 10.376 10.904 1.117 1.00 53.43 C ATOM 313 CG ASN A 20 11.658 11.035 0.285 1.00 0.12 C ATOM 314 OD1 ASN A 20 12.492 11.902 0.538 1.00 11.22 O ATOM 315 ND2 ASN A 20 11.831 10.178 -0.706 1.00 12.43 N ATOM 0 H ASN A 20 11.608 9.559 2.966 1.00 55.32 H new ATOM 0 HA ASN A 20 10.845 12.395 2.610 1.00 3.44 H new ATOM 0 HB2 ASN A 20 10.037 9.868 1.090 1.00 53.43 H new ATOM 0 HB3 ASN A 20 9.591 11.508 0.662 1.00 53.43 H new ATOM 0 HD21 ASN A 20 12.672 10.227 -1.281 1.00 12.43 H new ATOM 0 HD22 ASN A 20 11.124 9.468 -0.895 1.00 12.43 H new ATOM 322 N PRO A 21 8.751 12.215 4.136 1.00 61.21 N ATOM 323 CA PRO A 21 7.444 12.164 4.872 1.00 32.42 C ATOM 324 C PRO A 21 6.215 12.049 3.933 1.00 0.43 C ATOM 325 O PRO A 21 5.094 11.800 4.398 1.00 53.12 O ATOM 326 CB PRO A 21 7.421 13.496 5.682 1.00 34.22 C ATOM 327 CG PRO A 21 8.850 13.963 5.693 1.00 74.45 C ATOM 328 CD PRO A 21 9.435 13.514 4.371 1.00 40.14 C ATOM 0 HA PRO A 21 7.375 11.276 5.500 1.00 32.42 H new ATOM 0 HB2 PRO A 21 6.768 14.232 5.214 1.00 34.22 H new ATOM 0 HB3 PRO A 21 7.049 13.337 6.694 1.00 34.22 H new ATOM 0 HG2 PRO A 21 8.908 15.046 5.799 1.00 74.45 H new ATOM 0 HG3 PRO A 21 9.397 13.531 6.531 1.00 74.45 H new ATOM 0 HD2 PRO A 21 9.231 14.229 3.574 1.00 40.14 H new ATOM 0 HD3 PRO A 21 10.517 13.398 4.426 1.00 40.14 H new ATOM 336 N ASN A 22 6.451 12.224 2.616 1.00 42.21 N ATOM 337 CA ASN A 22 5.435 12.002 1.565 1.00 5.14 C ATOM 338 C ASN A 22 5.036 10.517 1.511 1.00 32.23 C ATOM 339 O ASN A 22 3.932 10.182 1.105 1.00 23.11 O ATOM 340 CB ASN A 22 5.971 12.433 0.171 1.00 63.14 C ATOM 341 CG ASN A 22 6.456 13.878 0.145 1.00 21.53 C ATOM 342 OD1 ASN A 22 7.639 14.144 0.331 1.00 70.43 O ATOM 343 ND2 ASN A 22 5.545 14.818 -0.056 1.00 0.43 N ATOM 0 H ASN A 22 7.355 12.524 2.250 1.00 42.21 H new ATOM 0 HA ASN A 22 4.564 12.608 1.814 1.00 5.14 H new ATOM 0 HB2 ASN A 22 6.790 11.774 -0.118 1.00 63.14 H new ATOM 0 HB3 ASN A 22 5.183 12.306 -0.571 1.00 63.14 H new ATOM 0 HD21 ASN A 22 5.818 15.801 -0.060 1.00 0.43 H new ATOM 0 HD22 ASN A 22 4.570 14.559 -0.207 1.00 0.43 H new ATOM 350 N SER A 23 5.961 9.650 1.944 1.00 32.54 N ATOM 351 CA SER A 23 5.785 8.195 1.931 1.00 13.45 C ATOM 352 C SER A 23 5.833 7.646 3.363 1.00 52.44 C ATOM 353 O SER A 23 6.440 8.248 4.256 1.00 13.12 O ATOM 354 CB SER A 23 6.873 7.542 1.050 1.00 4.13 C ATOM 355 OG SER A 23 8.182 7.961 1.420 1.00 65.30 O ATOM 0 H SER A 23 6.863 9.945 2.317 1.00 32.54 H new ATOM 0 HA SER A 23 4.810 7.953 1.507 1.00 13.45 H new ATOM 0 HB2 SER A 23 6.803 6.457 1.132 1.00 4.13 H new ATOM 0 HB3 SER A 23 6.693 7.795 0.005 1.00 4.13 H new ATOM 0 HG SER A 23 8.352 7.716 2.353 1.00 65.30 H new ATOM 361 N LEU A 24 5.141 6.526 3.567 1.00 63.43 N ATOM 362 CA LEU A 24 5.191 5.745 4.806 1.00 72.51 C ATOM 363 C LEU A 24 5.148 4.259 4.436 1.00 0.01 C ATOM 364 O LEU A 24 4.338 3.839 3.598 1.00 62.02 O ATOM 365 CB LEU A 24 4.011 6.130 5.731 1.00 41.01 C ATOM 366 CG LEU A 24 3.977 5.455 7.143 1.00 21.14 C ATOM 367 CD1 LEU A 24 5.234 5.802 7.977 1.00 13.32 C ATOM 368 CD2 LEU A 24 2.684 5.830 7.893 1.00 5.22 C ATOM 0 H LEU A 24 4.518 6.127 2.864 1.00 63.43 H new ATOM 0 HA LEU A 24 6.111 5.955 5.352 1.00 72.51 H new ATOM 0 HB2 LEU A 24 4.026 7.211 5.871 1.00 41.01 H new ATOM 0 HB3 LEU A 24 3.081 5.888 5.216 1.00 41.01 H new ATOM 0 HG LEU A 24 3.983 4.375 6.995 1.00 21.14 H new ATOM 0 HD11 LEU A 24 5.171 5.314 8.950 1.00 13.32 H new ATOM 0 HD12 LEU A 24 6.125 5.455 7.454 1.00 13.32 H new ATOM 0 HD13 LEU A 24 5.292 6.882 8.116 1.00 13.32 H new ATOM 0 HD21 LEU A 24 2.679 5.351 8.872 1.00 5.22 H new ATOM 0 HD22 LEU A 24 2.637 6.912 8.018 1.00 5.22 H new ATOM 0 HD23 LEU A 24 1.820 5.493 7.320 1.00 5.22 H new ATOM 380 N LYS A 25 6.035 3.481 5.052 1.00 72.55 N ATOM 381 CA LYS A 25 6.213 2.057 4.757 1.00 40.05 C ATOM 382 C LYS A 25 5.348 1.218 5.727 1.00 23.10 C ATOM 383 O LYS A 25 5.547 1.271 6.939 1.00 13.01 O ATOM 384 CB LYS A 25 7.720 1.716 4.886 1.00 42.21 C ATOM 385 CG LYS A 25 8.098 0.250 4.609 1.00 63.04 C ATOM 386 CD LYS A 25 9.623 0.017 4.748 1.00 23.31 C ATOM 387 CE LYS A 25 10.024 -1.457 4.620 1.00 35.31 C ATOM 388 NZ LYS A 25 11.487 -1.661 4.802 1.00 21.25 N ATOM 0 H LYS A 25 6.660 3.825 5.781 1.00 72.55 H new ATOM 0 HA LYS A 25 5.889 1.824 3.743 1.00 40.05 H new ATOM 0 HB2 LYS A 25 8.278 2.352 4.199 1.00 42.21 H new ATOM 0 HB3 LYS A 25 8.047 1.972 5.894 1.00 42.21 H new ATOM 0 HG2 LYS A 25 7.565 -0.401 5.303 1.00 63.04 H new ATOM 0 HG3 LYS A 25 7.778 -0.025 3.604 1.00 63.04 H new ATOM 0 HD2 LYS A 25 10.143 0.596 3.985 1.00 23.31 H new ATOM 0 HD3 LYS A 25 9.955 0.394 5.715 1.00 23.31 H new ATOM 0 HE2 LYS A 25 9.482 -2.045 5.361 1.00 35.31 H new ATOM 0 HE3 LYS A 25 9.727 -1.829 3.639 1.00 35.31 H new ATOM 0 HZ1 LYS A 25 11.709 -2.674 4.724 1.00 21.25 H new ATOM 0 HZ2 LYS A 25 12.005 -1.136 4.069 1.00 21.25 H new ATOM 0 HZ3 LYS A 25 11.771 -1.316 5.741 1.00 21.25 H new ATOM 402 N PHE A 26 4.378 0.471 5.179 1.00 75.14 N ATOM 403 CA PHE A 26 3.463 -0.389 5.948 1.00 71.41 C ATOM 404 C PHE A 26 3.898 -1.859 5.787 1.00 4.23 C ATOM 405 O PHE A 26 3.835 -2.407 4.679 1.00 4.02 O ATOM 406 CB PHE A 26 2.005 -0.212 5.436 1.00 43.13 C ATOM 407 CG PHE A 26 1.452 1.208 5.581 1.00 54.30 C ATOM 408 CD1 PHE A 26 1.633 2.163 4.573 1.00 3.34 C ATOM 409 CD2 PHE A 26 0.741 1.588 6.722 1.00 23.13 C ATOM 410 CE1 PHE A 26 1.125 3.444 4.709 1.00 73.54 C ATOM 411 CE2 PHE A 26 0.232 2.868 6.850 1.00 43.12 C ATOM 412 CZ PHE A 26 0.423 3.793 5.845 1.00 50.13 C ATOM 0 H PHE A 26 4.204 0.446 4.174 1.00 75.14 H new ATOM 0 HA PHE A 26 3.500 -0.107 7.000 1.00 71.41 H new ATOM 0 HB2 PHE A 26 1.964 -0.499 4.385 1.00 43.13 H new ATOM 0 HB3 PHE A 26 1.356 -0.899 5.979 1.00 43.13 H new ATOM 0 HD1 PHE A 26 2.176 1.897 3.678 1.00 3.34 H new ATOM 0 HD2 PHE A 26 0.586 0.872 7.516 1.00 23.13 H new ATOM 0 HE1 PHE A 26 1.278 4.171 3.925 1.00 73.54 H new ATOM 0 HE2 PHE A 26 -0.316 3.144 7.739 1.00 43.12 H new ATOM 0 HZ PHE A 26 0.023 4.791 5.947 1.00 50.13 H new ATOM 422 N ILE A 27 4.356 -2.481 6.887 1.00 50.11 N ATOM 423 CA ILE A 27 4.726 -3.910 6.927 1.00 53.35 C ATOM 424 C ILE A 27 3.452 -4.694 7.297 1.00 25.10 C ATOM 425 O ILE A 27 3.004 -4.589 8.438 1.00 30.14 O ATOM 426 CB ILE A 27 5.875 -4.219 7.981 1.00 43.24 C ATOM 427 CG1 ILE A 27 7.241 -3.558 7.579 1.00 3.41 C ATOM 428 CG2 ILE A 27 6.057 -5.756 8.186 1.00 2.33 C ATOM 429 CD1 ILE A 27 7.267 -2.043 7.570 1.00 41.01 C ATOM 0 H ILE A 27 4.481 -2.005 7.780 1.00 50.11 H new ATOM 0 HA ILE A 27 5.120 -4.204 5.954 1.00 53.35 H new ATOM 0 HB ILE A 27 5.559 -3.777 8.926 1.00 43.24 H new ATOM 0 HG12 ILE A 27 8.009 -3.911 8.267 1.00 3.41 H new ATOM 0 HG13 ILE A 27 7.515 -3.913 6.585 1.00 3.41 H new ATOM 0 HG21 ILE A 27 6.850 -5.935 8.912 1.00 2.33 H new ATOM 0 HG22 ILE A 27 5.125 -6.187 8.552 1.00 2.33 H new ATOM 0 HG23 ILE A 27 6.323 -6.221 7.237 1.00 2.33 H new ATOM 0 HD11 ILE A 27 8.259 -1.698 7.278 1.00 41.01 H new ATOM 0 HD12 ILE A 27 6.530 -1.671 6.859 1.00 41.01 H new ATOM 0 HD13 ILE A 27 7.031 -1.669 8.566 1.00 41.01 H new ATOM 441 N PRO A 28 2.848 -5.465 6.334 1.00 45.52 N ATOM 442 CA PRO A 28 1.513 -6.109 6.523 1.00 34.54 C ATOM 443 C PRO A 28 1.504 -7.278 7.536 1.00 72.22 C ATOM 444 O PRO A 28 0.433 -7.665 8.026 1.00 72.42 O ATOM 445 CB PRO A 28 1.182 -6.604 5.093 1.00 64.21 C ATOM 446 CG PRO A 28 2.516 -6.865 4.466 1.00 40.41 C ATOM 447 CD PRO A 28 3.421 -5.776 4.988 1.00 53.41 C ATOM 0 HA PRO A 28 0.787 -5.415 6.948 1.00 34.54 H new ATOM 0 HB2 PRO A 28 0.572 -7.507 5.117 1.00 64.21 H new ATOM 0 HB3 PRO A 28 0.621 -5.855 4.534 1.00 64.21 H new ATOM 0 HG2 PRO A 28 2.891 -7.852 4.737 1.00 40.41 H new ATOM 0 HG3 PRO A 28 2.452 -6.836 3.378 1.00 40.41 H new ATOM 0 HD2 PRO A 28 4.455 -6.113 5.060 1.00 53.41 H new ATOM 0 HD3 PRO A 28 3.415 -4.902 4.337 1.00 53.41 H new ATOM 455 N GLY A 29 2.692 -7.810 7.853 1.00 43.02 N ATOM 456 CA GLY A 29 2.843 -8.956 8.752 1.00 32.01 C ATOM 457 C GLY A 29 3.447 -10.143 8.027 1.00 4.21 C ATOM 458 O GLY A 29 4.537 -10.608 8.372 1.00 52.44 O ATOM 0 H GLY A 29 3.577 -7.455 7.491 1.00 43.02 H new ATOM 0 HA2 GLY A 29 3.477 -8.680 9.595 1.00 32.01 H new ATOM 0 HA3 GLY A 29 1.871 -9.232 9.161 1.00 32.01 H new ATOM 462 N LYS A 30 2.726 -10.635 7.009 1.00 32.21 N ATOM 463 CA LYS A 30 3.225 -11.668 6.080 1.00 62.14 C ATOM 464 C LYS A 30 3.701 -10.981 4.791 1.00 64.44 C ATOM 465 O LYS A 30 3.111 -9.971 4.404 1.00 14.35 O ATOM 466 CB LYS A 30 2.118 -12.715 5.762 1.00 51.41 C ATOM 467 CG LYS A 30 1.692 -13.581 6.970 1.00 60.10 C ATOM 468 CD LYS A 30 0.647 -14.668 6.600 1.00 43.43 C ATOM 469 CE LYS A 30 -0.691 -14.078 6.114 1.00 44.31 C ATOM 470 NZ LYS A 30 -1.672 -15.131 5.753 1.00 24.03 N ATOM 0 H LYS A 30 1.775 -10.328 6.803 1.00 32.21 H new ATOM 0 HA LYS A 30 4.055 -12.200 6.545 1.00 62.14 H new ATOM 0 HB2 LYS A 30 1.242 -12.194 5.377 1.00 51.41 H new ATOM 0 HB3 LYS A 30 2.473 -13.371 4.967 1.00 51.41 H new ATOM 0 HG2 LYS A 30 2.574 -14.062 7.394 1.00 60.10 H new ATOM 0 HG3 LYS A 30 1.278 -12.935 7.744 1.00 60.10 H new ATOM 0 HD2 LYS A 30 1.059 -15.310 5.821 1.00 43.43 H new ATOM 0 HD3 LYS A 30 0.465 -15.299 7.470 1.00 43.43 H new ATOM 0 HE2 LYS A 30 -1.112 -13.445 6.895 1.00 44.31 H new ATOM 0 HE3 LYS A 30 -0.511 -13.440 5.249 1.00 44.31 H new ATOM 0 HZ1 LYS A 30 -2.556 -14.687 5.432 1.00 24.03 H new ATOM 0 HZ2 LYS A 30 -1.283 -15.720 4.989 1.00 24.03 H new ATOM 0 HZ3 LYS A 30 -1.865 -15.725 6.584 1.00 24.03 H new ATOM 484 N PRO A 31 4.778 -11.509 4.112 1.00 64.32 N ATOM 485 CA PRO A 31 5.300 -10.935 2.839 1.00 1.21 C ATOM 486 C PRO A 31 4.212 -10.733 1.756 1.00 24.23 C ATOM 487 O PRO A 31 3.194 -11.438 1.733 1.00 14.35 O ATOM 488 CB PRO A 31 6.356 -11.977 2.382 1.00 40.23 C ATOM 489 CG PRO A 31 6.821 -12.623 3.657 1.00 33.33 C ATOM 490 CD PRO A 31 5.593 -12.689 4.546 1.00 23.24 C ATOM 0 HA PRO A 31 5.703 -9.934 2.990 1.00 1.21 H new ATOM 0 HB2 PRO A 31 5.923 -12.709 1.701 1.00 40.23 H new ATOM 0 HB3 PRO A 31 7.182 -11.500 1.854 1.00 40.23 H new ATOM 0 HG2 PRO A 31 7.224 -13.618 3.469 1.00 33.33 H new ATOM 0 HG3 PRO A 31 7.615 -12.041 4.126 1.00 33.33 H new ATOM 0 HD2 PRO A 31 5.049 -13.624 4.409 1.00 23.24 H new ATOM 0 HD3 PRO A 31 5.859 -12.626 5.601 1.00 23.24 H new ATOM 498 N VAL A 32 4.458 -9.776 0.853 1.00 53.22 N ATOM 499 CA VAL A 32 3.533 -9.413 -0.231 1.00 24.54 C ATOM 500 C VAL A 32 4.209 -9.813 -1.538 1.00 73.14 C ATOM 501 O VAL A 32 3.671 -10.568 -2.353 1.00 23.42 O ATOM 502 CB VAL A 32 3.147 -7.871 -0.218 1.00 2.14 C ATOM 503 CG1 VAL A 32 2.068 -7.577 0.848 1.00 5.45 C ATOM 504 CG2 VAL A 32 4.375 -6.943 0.010 1.00 25.34 C ATOM 0 H VAL A 32 5.316 -9.224 0.853 1.00 53.22 H new ATOM 0 HA VAL A 32 2.587 -9.939 -0.103 1.00 24.54 H new ATOM 0 HB VAL A 32 2.748 -7.652 -1.208 1.00 2.14 H new ATOM 0 HG11 VAL A 32 1.823 -6.515 0.835 1.00 5.45 H new ATOM 0 HG12 VAL A 32 1.172 -8.159 0.629 1.00 5.45 H new ATOM 0 HG13 VAL A 32 2.446 -7.850 1.833 1.00 5.45 H new ATOM 0 HG21 VAL A 32 4.050 -5.903 0.009 1.00 25.34 H new ATOM 0 HG22 VAL A 32 4.836 -7.178 0.969 1.00 25.34 H new ATOM 0 HG23 VAL A 32 5.101 -7.097 -0.789 1.00 25.34 H new ATOM 514 N LEU A 33 5.430 -9.317 -1.679 1.00 42.24 N ATOM 515 CA LEU A 33 6.361 -9.709 -2.701 1.00 31.01 C ATOM 516 C LEU A 33 7.594 -10.238 -1.988 1.00 24.12 C ATOM 517 O LEU A 33 7.863 -9.902 -0.835 1.00 12.34 O ATOM 518 CB LEU A 33 6.714 -8.516 -3.614 1.00 44.12 C ATOM 519 CG LEU A 33 5.560 -7.982 -4.518 1.00 51.25 C ATOM 520 CD1 LEU A 33 6.030 -6.810 -5.383 1.00 44.14 C ATOM 521 CD2 LEU A 33 4.967 -9.107 -5.396 1.00 32.21 C ATOM 0 H LEU A 33 5.804 -8.603 -1.054 1.00 42.24 H new ATOM 0 HA LEU A 33 5.931 -10.474 -3.347 1.00 31.01 H new ATOM 0 HB2 LEU A 33 7.067 -7.697 -2.988 1.00 44.12 H new ATOM 0 HB3 LEU A 33 7.546 -8.808 -4.255 1.00 44.12 H new ATOM 0 HG LEU A 33 4.771 -7.620 -3.859 1.00 51.25 H new ATOM 0 HD11 LEU A 33 5.204 -6.460 -6.002 1.00 44.14 H new ATOM 0 HD12 LEU A 33 6.372 -5.998 -4.741 1.00 44.14 H new ATOM 0 HD13 LEU A 33 6.850 -7.136 -6.023 1.00 44.14 H new ATOM 0 HD21 LEU A 33 4.165 -8.702 -6.014 1.00 32.21 H new ATOM 0 HD22 LEU A 33 5.747 -9.518 -6.037 1.00 32.21 H new ATOM 0 HD23 LEU A 33 4.570 -9.896 -4.757 1.00 32.21 H new ATOM 533 N GLU A 34 8.284 -11.089 -2.679 1.00 44.53 N ATOM 534 CA GLU A 34 9.537 -11.709 -2.227 1.00 1.10 C ATOM 535 C GLU A 34 10.340 -12.106 -3.463 1.00 13.15 C ATOM 536 O GLU A 34 11.545 -11.846 -3.556 1.00 31.25 O ATOM 537 CB GLU A 34 9.211 -12.924 -1.289 1.00 22.14 C ATOM 538 CG GLU A 34 10.424 -13.735 -0.737 1.00 14.01 C ATOM 539 CD GLU A 34 10.965 -14.805 -1.714 1.00 74.33 C ATOM 540 OE1 GLU A 34 10.242 -15.788 -1.984 1.00 42.13 O ATOM 541 OE2 GLU A 34 12.098 -14.665 -2.227 1.00 1.02 O ATOM 0 H GLU A 34 8.000 -11.397 -3.609 1.00 44.53 H new ATOM 0 HA GLU A 34 10.141 -11.017 -1.640 1.00 1.10 H new ATOM 0 HB2 GLU A 34 8.637 -12.553 -0.440 1.00 22.14 H new ATOM 0 HB3 GLU A 34 8.564 -13.611 -1.836 1.00 22.14 H new ATOM 0 HG2 GLU A 34 11.229 -13.042 -0.492 1.00 14.01 H new ATOM 0 HG3 GLU A 34 10.129 -14.223 0.192 1.00 14.01 H new ATOM 548 N THR A 35 9.635 -12.722 -4.425 1.00 31.13 N ATOM 549 CA THR A 35 10.218 -13.185 -5.690 1.00 11.00 C ATOM 550 C THR A 35 10.642 -12.004 -6.608 1.00 44.40 C ATOM 551 O THR A 35 11.561 -12.153 -7.420 1.00 60.24 O ATOM 552 CB THR A 35 9.220 -14.142 -6.431 1.00 61.41 C ATOM 553 OG1 THR A 35 9.838 -14.708 -7.598 1.00 4.44 O ATOM 554 CG2 THR A 35 7.911 -13.429 -6.833 1.00 45.52 C ATOM 0 H THR A 35 8.636 -12.913 -4.344 1.00 31.13 H new ATOM 0 HA THR A 35 11.125 -13.740 -5.450 1.00 11.00 H new ATOM 0 HB THR A 35 8.964 -14.935 -5.729 1.00 61.41 H new ATOM 0 HG1 THR A 35 9.203 -15.304 -8.048 1.00 4.44 H new ATOM 0 HG21 THR A 35 7.254 -14.134 -7.342 1.00 45.52 H new ATOM 0 HG22 THR A 35 7.414 -13.050 -5.940 1.00 45.52 H new ATOM 0 HG23 THR A 35 8.139 -12.598 -7.501 1.00 45.52 H new ATOM 562 N ARG A 36 9.973 -10.837 -6.461 1.00 54.14 N ATOM 563 CA ARG A 36 10.205 -9.654 -7.321 1.00 23.32 C ATOM 564 C ARG A 36 9.758 -8.356 -6.612 1.00 33.11 C ATOM 565 O ARG A 36 9.353 -8.385 -5.446 1.00 44.02 O ATOM 566 CB ARG A 36 9.444 -9.829 -8.666 1.00 30.11 C ATOM 567 CG ARG A 36 7.901 -9.908 -8.539 1.00 12.21 C ATOM 568 CD ARG A 36 7.204 -10.065 -9.896 1.00 43.43 C ATOM 569 NE ARG A 36 7.430 -8.913 -10.786 1.00 14.42 N ATOM 570 CZ ARG A 36 6.942 -8.801 -12.035 1.00 33.22 C ATOM 571 NH1 ARG A 36 6.196 -9.753 -12.574 1.00 63.24 N ATOM 572 NH2 ARG A 36 7.200 -7.730 -12.739 1.00 41.21 N ATOM 0 H ARG A 36 9.260 -10.690 -5.746 1.00 54.14 H new ATOM 0 HA ARG A 36 11.273 -9.573 -7.521 1.00 23.32 H new ATOM 0 HB2 ARG A 36 9.698 -8.995 -9.321 1.00 30.11 H new ATOM 0 HB3 ARG A 36 9.801 -10.737 -9.153 1.00 30.11 H new ATOM 0 HG2 ARG A 36 7.636 -10.750 -7.899 1.00 12.21 H new ATOM 0 HG3 ARG A 36 7.534 -9.006 -8.049 1.00 12.21 H new ATOM 0 HD2 ARG A 36 7.564 -10.971 -10.383 1.00 43.43 H new ATOM 0 HD3 ARG A 36 6.133 -10.192 -9.738 1.00 43.43 H new ATOM 0 HE ARG A 36 7.998 -8.144 -10.429 1.00 14.42 H new ATOM 0 HH11 ARG A 36 5.980 -10.595 -12.040 1.00 63.24 H new ATOM 0 HH12 ARG A 36 5.838 -9.644 -13.523 1.00 63.24 H new ATOM 0 HH21 ARG A 36 7.769 -6.983 -12.341 1.00 41.21 H new ATOM 0 HH22 ARG A 36 6.832 -7.641 -13.686 1.00 41.21 H new ATOM 586 N THR A 37 9.859 -7.221 -7.332 1.00 54.44 N ATOM 587 CA THR A 37 9.340 -5.906 -6.889 1.00 14.22 C ATOM 588 C THR A 37 8.425 -5.326 -7.981 1.00 30.20 C ATOM 589 O THR A 37 8.647 -5.562 -9.171 1.00 22.53 O ATOM 590 CB THR A 37 10.499 -4.905 -6.582 1.00 52.22 C ATOM 591 OG1 THR A 37 11.377 -4.821 -7.717 1.00 25.45 O ATOM 592 CG2 THR A 37 11.311 -5.311 -5.346 1.00 43.23 C ATOM 0 H THR A 37 10.308 -7.188 -8.248 1.00 54.44 H new ATOM 0 HA THR A 37 8.776 -6.054 -5.968 1.00 14.22 H new ATOM 0 HB THR A 37 10.044 -3.936 -6.376 1.00 52.22 H new ATOM 0 HG1 THR A 37 12.103 -4.191 -7.523 1.00 25.45 H new ATOM 0 HG21 THR A 37 12.104 -4.583 -5.176 1.00 43.23 H new ATOM 0 HG22 THR A 37 10.656 -5.344 -4.475 1.00 43.23 H new ATOM 0 HG23 THR A 37 11.751 -6.295 -5.507 1.00 43.23 H new ATOM 600 N MET A 38 7.387 -4.569 -7.569 1.00 4.15 N ATOM 601 CA MET A 38 6.373 -4.005 -8.486 1.00 15.32 C ATOM 602 C MET A 38 5.963 -2.595 -8.011 1.00 73.53 C ATOM 603 O MET A 38 5.314 -2.447 -6.972 1.00 24.50 O ATOM 604 CB MET A 38 5.120 -4.938 -8.577 1.00 51.51 C ATOM 605 CG MET A 38 5.383 -6.317 -9.212 1.00 24.34 C ATOM 606 SD MET A 38 3.945 -7.399 -9.187 1.00 72.24 S ATOM 607 CE MET A 38 2.763 -6.427 -10.106 1.00 25.02 C ATOM 0 H MET A 38 7.228 -4.331 -6.590 1.00 4.15 H new ATOM 0 HA MET A 38 6.809 -3.932 -9.482 1.00 15.32 H new ATOM 0 HB2 MET A 38 4.722 -5.086 -7.573 1.00 51.51 H new ATOM 0 HB3 MET A 38 4.348 -4.430 -9.154 1.00 51.51 H new ATOM 0 HG2 MET A 38 5.707 -6.178 -10.244 1.00 24.34 H new ATOM 0 HG3 MET A 38 6.203 -6.802 -8.683 1.00 24.34 H new ATOM 0 HE1 MET A 38 1.897 -6.218 -9.478 1.00 25.02 H new ATOM 0 HE2 MET A 38 3.224 -5.488 -10.413 1.00 25.02 H new ATOM 0 HE3 MET A 38 2.445 -6.981 -10.989 1.00 25.02 H new ATOM 617 N ASP A 39 6.370 -1.569 -8.776 1.00 24.20 N ATOM 618 CA ASP A 39 6.004 -0.161 -8.515 1.00 62.44 C ATOM 619 C ASP A 39 4.711 0.197 -9.272 1.00 11.03 C ATOM 620 O ASP A 39 4.475 -0.271 -10.396 1.00 52.44 O ATOM 621 CB ASP A 39 7.164 0.800 -8.924 1.00 31.42 C ATOM 622 CG ASP A 39 7.434 0.848 -10.441 1.00 52.11 C ATOM 623 OD1 ASP A 39 7.830 -0.187 -11.014 1.00 61.12 O ATOM 624 OD2 ASP A 39 7.238 1.909 -11.077 1.00 32.13 O ATOM 0 H ASP A 39 6.964 -1.690 -9.596 1.00 24.20 H new ATOM 0 HA ASP A 39 5.830 -0.041 -7.446 1.00 62.44 H new ATOM 0 HB2 ASP A 39 6.929 1.806 -8.575 1.00 31.42 H new ATOM 0 HB3 ASP A 39 8.076 0.491 -8.413 1.00 31.42 H new ATOM 629 N PHE A 40 3.870 1.015 -8.631 1.00 73.34 N ATOM 630 CA PHE A 40 2.612 1.526 -9.207 1.00 73.04 C ATOM 631 C PHE A 40 2.578 3.057 -9.026 1.00 60.40 C ATOM 632 O PHE A 40 1.989 3.552 -8.055 1.00 53.33 O ATOM 633 CB PHE A 40 1.381 0.849 -8.528 1.00 44.13 C ATOM 634 CG PHE A 40 1.435 -0.677 -8.508 1.00 65.43 C ATOM 635 CD1 PHE A 40 1.179 -1.417 -9.666 1.00 74.45 C ATOM 636 CD2 PHE A 40 1.752 -1.372 -7.340 1.00 24.24 C ATOM 637 CE1 PHE A 40 1.232 -2.796 -9.649 1.00 65.14 C ATOM 638 CE2 PHE A 40 1.803 -2.753 -7.331 1.00 64.42 C ATOM 639 CZ PHE A 40 1.543 -3.458 -8.481 1.00 52.34 C ATOM 0 H PHE A 40 4.043 1.349 -7.683 1.00 73.34 H new ATOM 0 HA PHE A 40 2.565 1.287 -10.269 1.00 73.04 H new ATOM 0 HB2 PHE A 40 1.301 1.212 -7.503 1.00 44.13 H new ATOM 0 HB3 PHE A 40 0.476 1.162 -9.048 1.00 44.13 H new ATOM 0 HD1 PHE A 40 0.937 -0.904 -10.585 1.00 74.45 H new ATOM 0 HD2 PHE A 40 1.960 -0.824 -6.433 1.00 24.24 H new ATOM 0 HE1 PHE A 40 1.030 -3.356 -10.550 1.00 65.14 H new ATOM 0 HE2 PHE A 40 2.047 -3.278 -6.419 1.00 64.42 H new ATOM 0 HZ PHE A 40 1.583 -4.537 -8.470 1.00 52.34 H new ATOM 649 N PRO A 41 3.266 3.841 -9.919 1.00 70.01 N ATOM 650 CA PRO A 41 3.265 5.322 -9.826 1.00 33.23 C ATOM 651 C PRO A 41 1.897 5.921 -10.221 1.00 55.04 C ATOM 652 O PRO A 41 1.531 7.016 -9.777 1.00 22.15 O ATOM 653 CB PRO A 41 4.397 5.738 -10.801 1.00 73.53 C ATOM 654 CG PRO A 41 4.472 4.626 -11.812 1.00 32.33 C ATOM 655 CD PRO A 41 4.095 3.354 -11.067 1.00 20.40 C ATOM 0 HA PRO A 41 3.431 5.688 -8.813 1.00 33.23 H new ATOM 0 HB2 PRO A 41 4.174 6.692 -11.280 1.00 73.53 H new ATOM 0 HB3 PRO A 41 5.345 5.858 -10.276 1.00 73.53 H new ATOM 0 HG2 PRO A 41 3.790 4.808 -12.643 1.00 32.33 H new ATOM 0 HG3 PRO A 41 5.474 4.549 -12.233 1.00 32.33 H new ATOM 0 HD2 PRO A 41 3.534 2.670 -11.703 1.00 20.40 H new ATOM 0 HD3 PRO A 41 4.978 2.816 -10.722 1.00 20.40 H new ATOM 663 N THR A 42 1.150 5.173 -11.048 1.00 42.31 N ATOM 664 CA THR A 42 -0.187 5.551 -11.518 1.00 55.21 C ATOM 665 C THR A 42 -1.188 4.431 -11.148 1.00 22.34 C ATOM 666 O THR A 42 -0.797 3.250 -11.088 1.00 4.04 O ATOM 667 CB THR A 42 -0.195 5.777 -13.078 1.00 53.34 C ATOM 668 OG1 THR A 42 0.172 4.557 -13.750 1.00 51.13 O ATOM 669 CG2 THR A 42 0.762 6.908 -13.508 1.00 61.12 C ATOM 0 H THR A 42 1.465 4.274 -11.413 1.00 42.31 H new ATOM 0 HA THR A 42 -0.476 6.486 -11.038 1.00 55.21 H new ATOM 0 HB THR A 42 -1.206 6.072 -13.359 1.00 53.34 H new ATOM 0 HG1 THR A 42 0.164 4.702 -14.719 1.00 51.13 H new ATOM 0 HG21 THR A 42 0.722 7.026 -14.591 1.00 61.12 H new ATOM 0 HG22 THR A 42 0.462 7.840 -13.030 1.00 61.12 H new ATOM 0 HG23 THR A 42 1.779 6.658 -13.208 1.00 61.12 H new ATOM 677 N PRO A 43 -2.494 4.772 -10.874 1.00 1.31 N ATOM 678 CA PRO A 43 -3.570 3.757 -10.678 1.00 53.53 C ATOM 679 C PRO A 43 -3.857 2.923 -11.950 1.00 62.33 C ATOM 680 O PRO A 43 -4.561 1.919 -11.874 1.00 50.33 O ATOM 681 CB PRO A 43 -4.804 4.610 -10.250 1.00 4.02 C ATOM 682 CG PRO A 43 -4.518 5.988 -10.777 1.00 64.33 C ATOM 683 CD PRO A 43 -3.011 6.156 -10.672 1.00 24.23 C ATOM 0 HA PRO A 43 -3.292 3.007 -9.938 1.00 53.53 H new ATOM 0 HB2 PRO A 43 -5.727 4.209 -10.670 1.00 4.02 H new ATOM 0 HB3 PRO A 43 -4.923 4.617 -9.167 1.00 4.02 H new ATOM 0 HG2 PRO A 43 -4.854 6.091 -11.809 1.00 64.33 H new ATOM 0 HG3 PRO A 43 -5.039 6.747 -10.194 1.00 64.33 H new ATOM 0 HD2 PRO A 43 -2.630 6.842 -11.428 1.00 24.23 H new ATOM 0 HD3 PRO A 43 -2.718 6.557 -9.702 1.00 24.23 H new ATOM 691 N ALA A 44 -3.291 3.352 -13.103 1.00 21.14 N ATOM 692 CA ALA A 44 -3.429 2.647 -14.392 1.00 14.11 C ATOM 693 C ALA A 44 -2.582 1.351 -14.413 1.00 2.11 C ATOM 694 O ALA A 44 -3.006 0.339 -14.978 1.00 33.34 O ATOM 695 CB ALA A 44 -3.038 3.587 -15.550 1.00 55.42 C ATOM 0 H ALA A 44 -2.725 4.199 -13.162 1.00 21.14 H new ATOM 0 HA ALA A 44 -4.471 2.355 -14.519 1.00 14.11 H new ATOM 0 HB1 ALA A 44 -3.142 3.059 -16.498 1.00 55.42 H new ATOM 0 HB2 ALA A 44 -3.691 4.460 -15.547 1.00 55.42 H new ATOM 0 HB3 ALA A 44 -2.004 3.907 -15.425 1.00 55.42 H new ATOM 701 N ALA A 45 -1.392 1.398 -13.773 1.00 44.40 N ATOM 702 CA ALA A 45 -0.479 0.236 -13.669 1.00 0.41 C ATOM 703 C ALA A 45 -0.954 -0.770 -12.599 1.00 10.24 C ATOM 704 O ALA A 45 -0.536 -1.939 -12.599 1.00 43.24 O ATOM 705 CB ALA A 45 0.951 0.718 -13.351 1.00 1.34 C ATOM 0 H ALA A 45 -1.038 2.238 -13.316 1.00 44.40 H new ATOM 0 HA ALA A 45 -0.483 -0.280 -14.629 1.00 0.41 H new ATOM 0 HB1 ALA A 45 1.617 -0.142 -13.276 1.00 1.34 H new ATOM 0 HB2 ALA A 45 1.298 1.377 -14.147 1.00 1.34 H new ATOM 0 HB3 ALA A 45 0.950 1.260 -12.405 1.00 1.34 H new ATOM 711 N ALA A 46 -1.849 -0.302 -11.707 1.00 32.45 N ATOM 712 CA ALA A 46 -2.291 -1.043 -10.513 1.00 1.42 C ATOM 713 C ALA A 46 -3.136 -2.301 -10.819 1.00 41.22 C ATOM 714 O ALA A 46 -3.366 -3.097 -9.914 1.00 73.33 O ATOM 715 CB ALA A 46 -3.050 -0.086 -9.580 1.00 14.51 C ATOM 0 H ALA A 46 -2.290 0.613 -11.798 1.00 32.45 H new ATOM 0 HA ALA A 46 -1.392 -1.422 -10.026 1.00 1.42 H new ATOM 0 HB1 ALA A 46 -3.380 -0.628 -8.694 1.00 14.51 H new ATOM 0 HB2 ALA A 46 -2.392 0.730 -9.282 1.00 14.51 H new ATOM 0 HB3 ALA A 46 -3.917 0.319 -10.102 1.00 14.51 H new ATOM 721 N PHE A 47 -3.585 -2.472 -12.087 1.00 62.21 N ATOM 722 CA PHE A 47 -4.434 -3.621 -12.514 1.00 53.15 C ATOM 723 C PHE A 47 -3.792 -4.998 -12.198 1.00 44.14 C ATOM 724 O PHE A 47 -4.507 -5.979 -11.955 1.00 14.34 O ATOM 725 CB PHE A 47 -4.774 -3.527 -14.037 1.00 12.10 C ATOM 726 CG PHE A 47 -3.585 -3.763 -14.988 1.00 5.21 C ATOM 727 CD1 PHE A 47 -2.569 -2.814 -15.122 1.00 52.21 C ATOM 728 CD2 PHE A 47 -3.486 -4.932 -15.739 1.00 62.34 C ATOM 729 CE1 PHE A 47 -1.499 -3.030 -15.970 1.00 1.22 C ATOM 730 CE2 PHE A 47 -2.417 -5.147 -16.589 1.00 63.35 C ATOM 731 CZ PHE A 47 -1.423 -4.198 -16.706 1.00 33.53 C ATOM 0 H PHE A 47 -3.372 -1.822 -12.843 1.00 62.21 H new ATOM 0 HA PHE A 47 -5.353 -3.553 -11.933 1.00 53.15 H new ATOM 0 HB2 PHE A 47 -5.552 -4.256 -14.265 1.00 12.10 H new ATOM 0 HB3 PHE A 47 -5.191 -2.541 -14.240 1.00 12.10 H new ATOM 0 HD1 PHE A 47 -2.620 -1.897 -14.554 1.00 52.21 H new ATOM 0 HD2 PHE A 47 -4.257 -5.683 -15.656 1.00 62.34 H new ATOM 0 HE1 PHE A 47 -0.721 -2.286 -16.058 1.00 1.22 H new ATOM 0 HE2 PHE A 47 -2.360 -6.060 -17.163 1.00 63.35 H new ATOM 0 HZ PHE A 47 -0.588 -4.367 -17.370 1.00 33.53 H new ATOM 741 N ARG A 48 -2.445 -5.040 -12.203 1.00 15.53 N ATOM 742 CA ARG A 48 -1.660 -6.264 -11.951 1.00 33.24 C ATOM 743 C ARG A 48 -1.860 -6.804 -10.518 1.00 63.03 C ATOM 744 O ARG A 48 -1.805 -8.010 -10.303 1.00 70.11 O ATOM 745 CB ARG A 48 -0.155 -5.998 -12.211 1.00 25.04 C ATOM 746 CG ARG A 48 0.195 -5.699 -13.679 1.00 73.51 C ATOM 747 CD ARG A 48 1.696 -5.418 -13.883 1.00 14.34 C ATOM 748 NE ARG A 48 2.054 -5.333 -15.308 1.00 42.41 N ATOM 749 CZ ARG A 48 2.768 -6.248 -15.987 1.00 25.31 C ATOM 750 NH1 ARG A 48 3.222 -7.338 -15.378 1.00 15.13 N ATOM 751 NH2 ARG A 48 2.998 -6.081 -17.273 1.00 60.24 N ATOM 0 H ARG A 48 -1.867 -4.219 -12.383 1.00 15.53 H new ATOM 0 HA ARG A 48 -2.022 -7.026 -12.641 1.00 33.24 H new ATOM 0 HB2 ARG A 48 0.164 -5.157 -11.596 1.00 25.04 H new ATOM 0 HB3 ARG A 48 0.416 -6.867 -11.884 1.00 25.04 H new ATOM 0 HG2 ARG A 48 -0.100 -6.545 -14.299 1.00 73.51 H new ATOM 0 HG3 ARG A 48 -0.382 -4.839 -14.019 1.00 73.51 H new ATOM 0 HD2 ARG A 48 1.960 -4.484 -13.387 1.00 14.34 H new ATOM 0 HD3 ARG A 48 2.280 -6.207 -13.409 1.00 14.34 H new ATOM 0 HE ARG A 48 1.734 -4.513 -15.823 1.00 42.41 H new ATOM 0 HH11 ARG A 48 3.030 -7.486 -14.387 1.00 15.13 H new ATOM 0 HH12 ARG A 48 3.763 -8.027 -15.901 1.00 15.13 H new ATOM 0 HH21 ARG A 48 2.635 -5.258 -17.753 1.00 60.24 H new ATOM 0 HH22 ARG A 48 3.540 -6.775 -17.789 1.00 60.24 H new ATOM 765 N SER A 49 -2.092 -5.894 -9.549 1.00 62.40 N ATOM 766 CA SER A 49 -2.273 -6.243 -8.129 1.00 51.44 C ATOM 767 C SER A 49 -3.642 -5.728 -7.641 1.00 43.23 C ATOM 768 O SER A 49 -3.880 -4.512 -7.677 1.00 43.13 O ATOM 769 CB SER A 49 -1.125 -5.638 -7.278 1.00 21.11 C ATOM 770 OG SER A 49 -1.357 -5.791 -5.883 1.00 2.24 O ATOM 0 H SER A 49 -2.159 -4.893 -9.733 1.00 62.40 H new ATOM 0 HA SER A 49 -2.245 -7.327 -8.017 1.00 51.44 H new ATOM 0 HB2 SER A 49 -0.184 -6.120 -7.544 1.00 21.11 H new ATOM 0 HB3 SER A 49 -1.019 -4.579 -7.514 1.00 21.11 H new ATOM 0 HG SER A 49 -1.449 -6.743 -5.669 1.00 2.24 H new ATOM 776 N PRO A 50 -4.581 -6.639 -7.207 1.00 74.55 N ATOM 777 CA PRO A 50 -5.883 -6.231 -6.615 1.00 72.24 C ATOM 778 C PRO A 50 -5.708 -5.275 -5.428 1.00 31.51 C ATOM 779 O PRO A 50 -6.420 -4.271 -5.326 1.00 23.14 O ATOM 780 CB PRO A 50 -6.524 -7.573 -6.170 1.00 54.05 C ATOM 781 CG PRO A 50 -5.894 -8.597 -7.066 1.00 41.53 C ATOM 782 CD PRO A 50 -4.468 -8.124 -7.290 1.00 12.33 C ATOM 0 HA PRO A 50 -6.500 -5.679 -7.324 1.00 72.24 H new ATOM 0 HB2 PRO A 50 -6.320 -7.783 -5.120 1.00 54.05 H new ATOM 0 HB3 PRO A 50 -7.608 -7.555 -6.286 1.00 54.05 H new ATOM 0 HG2 PRO A 50 -5.911 -9.585 -6.605 1.00 41.53 H new ATOM 0 HG3 PRO A 50 -6.433 -8.676 -8.010 1.00 41.53 H new ATOM 0 HD2 PRO A 50 -3.790 -8.519 -6.533 1.00 12.33 H new ATOM 0 HD3 PRO A 50 -4.086 -8.445 -8.259 1.00 12.33 H new ATOM 790 N LEU A 51 -4.693 -5.567 -4.582 1.00 72.02 N ATOM 791 CA LEU A 51 -4.420 -4.807 -3.355 1.00 61.34 C ATOM 792 C LEU A 51 -3.975 -3.380 -3.702 1.00 34.13 C ATOM 793 O LEU A 51 -4.316 -2.432 -2.990 1.00 10.11 O ATOM 794 CB LEU A 51 -3.341 -5.520 -2.491 1.00 72.33 C ATOM 795 CG LEU A 51 -3.023 -4.867 -1.097 1.00 23.44 C ATOM 796 CD1 LEU A 51 -4.273 -4.783 -0.211 1.00 50.51 C ATOM 797 CD2 LEU A 51 -1.891 -5.617 -0.371 1.00 44.34 C ATOM 0 H LEU A 51 -4.044 -6.338 -4.737 1.00 72.02 H new ATOM 0 HA LEU A 51 -5.339 -4.754 -2.772 1.00 61.34 H new ATOM 0 HB2 LEU A 51 -3.662 -6.548 -2.322 1.00 72.33 H new ATOM 0 HB3 LEU A 51 -2.417 -5.565 -3.067 1.00 72.33 H new ATOM 0 HG LEU A 51 -2.685 -3.849 -1.292 1.00 23.44 H new ATOM 0 HD11 LEU A 51 -4.012 -4.326 0.744 1.00 50.51 H new ATOM 0 HD12 LEU A 51 -5.031 -4.178 -0.708 1.00 50.51 H new ATOM 0 HD13 LEU A 51 -4.665 -5.785 -0.038 1.00 50.51 H new ATOM 0 HD21 LEU A 51 -1.696 -5.140 0.589 1.00 44.34 H new ATOM 0 HD22 LEU A 51 -2.187 -6.653 -0.208 1.00 44.34 H new ATOM 0 HD23 LEU A 51 -0.987 -5.590 -0.980 1.00 44.34 H new ATOM 809 N ALA A 52 -3.233 -3.241 -4.829 1.00 4.41 N ATOM 810 CA ALA A 52 -2.749 -1.936 -5.313 1.00 52.24 C ATOM 811 C ALA A 52 -3.929 -1.022 -5.648 1.00 71.21 C ATOM 812 O ALA A 52 -3.972 0.124 -5.195 1.00 14.24 O ATOM 813 CB ALA A 52 -1.835 -2.114 -6.529 1.00 2.12 C ATOM 0 H ALA A 52 -2.959 -4.026 -5.419 1.00 4.41 H new ATOM 0 HA ALA A 52 -2.166 -1.468 -4.520 1.00 52.24 H new ATOM 0 HB1 ALA A 52 -1.489 -1.138 -6.870 1.00 2.12 H new ATOM 0 HB2 ALA A 52 -0.977 -2.727 -6.253 1.00 2.12 H new ATOM 0 HB3 ALA A 52 -2.388 -2.604 -7.331 1.00 2.12 H new ATOM 819 N ARG A 53 -4.903 -1.557 -6.424 1.00 51.30 N ATOM 820 CA ARG A 53 -6.127 -0.818 -6.795 1.00 5.25 C ATOM 821 C ARG A 53 -6.962 -0.449 -5.554 1.00 30.55 C ATOM 822 O ARG A 53 -7.575 0.624 -5.516 1.00 30.32 O ATOM 823 CB ARG A 53 -6.998 -1.614 -7.808 1.00 35.02 C ATOM 824 CG ARG A 53 -6.426 -1.669 -9.251 1.00 43.12 C ATOM 825 CD ARG A 53 -7.521 -1.797 -10.324 1.00 75.21 C ATOM 826 NE ARG A 53 -8.525 -0.713 -10.182 1.00 62.12 N ATOM 827 CZ ARG A 53 -8.861 0.196 -11.115 1.00 2.31 C ATOM 828 NH1 ARG A 53 -8.290 0.197 -12.317 1.00 33.23 N ATOM 829 NH2 ARG A 53 -9.765 1.120 -10.823 1.00 22.31 N ATOM 0 H ARG A 53 -4.861 -2.502 -6.805 1.00 51.30 H new ATOM 0 HA ARG A 53 -5.801 0.103 -7.278 1.00 5.25 H new ATOM 0 HB2 ARG A 53 -7.119 -2.633 -7.440 1.00 35.02 H new ATOM 0 HB3 ARG A 53 -7.992 -1.167 -7.842 1.00 35.02 H new ATOM 0 HG2 ARG A 53 -5.843 -0.768 -9.440 1.00 43.12 H new ATOM 0 HG3 ARG A 53 -5.743 -2.514 -9.334 1.00 43.12 H new ATOM 0 HD2 ARG A 53 -7.071 -1.755 -11.316 1.00 75.21 H new ATOM 0 HD3 ARG A 53 -8.011 -2.767 -10.237 1.00 75.21 H new ATOM 0 HE ARG A 53 -9.009 -0.651 -9.286 1.00 62.12 H new ATOM 0 HH11 ARG A 53 -7.582 -0.501 -12.546 1.00 33.23 H new ATOM 0 HH12 ARG A 53 -8.560 0.896 -13.009 1.00 33.23 H new ATOM 0 HH21 ARG A 53 -10.198 1.136 -9.899 1.00 22.31 H new ATOM 0 HH22 ARG A 53 -10.028 1.815 -11.522 1.00 22.31 H new ATOM 843 N GLN A 54 -6.971 -1.343 -4.550 1.00 41.02 N ATOM 844 CA GLN A 54 -7.714 -1.131 -3.295 1.00 24.50 C ATOM 845 C GLN A 54 -7.091 0.016 -2.473 1.00 32.33 C ATOM 846 O GLN A 54 -7.801 0.740 -1.767 1.00 24.13 O ATOM 847 CB GLN A 54 -7.735 -2.434 -2.466 1.00 43.41 C ATOM 848 CG GLN A 54 -8.505 -3.603 -3.100 1.00 72.24 C ATOM 849 CD GLN A 54 -8.388 -4.896 -2.296 1.00 24.21 C ATOM 850 OE1 GLN A 54 -7.410 -5.110 -1.583 1.00 43.25 O ATOM 851 NE2 GLN A 54 -9.360 -5.779 -2.423 1.00 65.22 N ATOM 0 H GLN A 54 -6.466 -2.229 -4.585 1.00 41.02 H new ATOM 0 HA GLN A 54 -8.738 -0.852 -3.545 1.00 24.50 H new ATOM 0 HB2 GLN A 54 -6.707 -2.750 -2.291 1.00 43.41 H new ATOM 0 HB3 GLN A 54 -8.173 -2.218 -1.491 1.00 43.41 H new ATOM 0 HG2 GLN A 54 -9.557 -3.332 -3.192 1.00 72.24 H new ATOM 0 HG3 GLN A 54 -8.131 -3.773 -4.109 1.00 72.24 H new ATOM 0 HE21 GLN A 54 -10.160 -5.574 -3.022 1.00 65.22 H new ATOM 0 HE22 GLN A 54 -9.312 -6.666 -1.922 1.00 65.22 H new ATOM 860 N LEU A 55 -5.755 0.153 -2.560 1.00 55.35 N ATOM 861 CA LEU A 55 -5.018 1.251 -1.911 1.00 42.31 C ATOM 862 C LEU A 55 -5.223 2.572 -2.682 1.00 3.53 C ATOM 863 O LEU A 55 -5.282 3.641 -2.079 1.00 45.44 O ATOM 864 CB LEU A 55 -3.509 0.897 -1.771 1.00 51.13 C ATOM 865 CG LEU A 55 -3.191 -0.328 -0.848 1.00 23.22 C ATOM 866 CD1 LEU A 55 -1.689 -0.678 -0.856 1.00 2.11 C ATOM 867 CD2 LEU A 55 -3.709 -0.097 0.592 1.00 41.15 C ATOM 0 H LEU A 55 -5.159 -0.491 -3.080 1.00 55.35 H new ATOM 0 HA LEU A 55 -5.416 1.389 -0.906 1.00 42.31 H new ATOM 0 HB2 LEU A 55 -3.106 0.697 -2.764 1.00 51.13 H new ATOM 0 HB3 LEU A 55 -2.983 1.769 -1.383 1.00 51.13 H new ATOM 0 HG LEU A 55 -3.723 -1.187 -1.258 1.00 23.22 H new ATOM 0 HD11 LEU A 55 -1.511 -1.533 -0.203 1.00 2.11 H new ATOM 0 HD12 LEU A 55 -1.379 -0.926 -1.871 1.00 2.11 H new ATOM 0 HD13 LEU A 55 -1.114 0.177 -0.499 1.00 2.11 H new ATOM 0 HD21 LEU A 55 -3.473 -0.965 1.207 1.00 41.15 H new ATOM 0 HD22 LEU A 55 -3.231 0.787 1.013 1.00 41.15 H new ATOM 0 HD23 LEU A 55 -4.789 0.050 0.571 1.00 41.15 H new ATOM 879 N PHE A 56 -5.358 2.480 -4.023 1.00 45.44 N ATOM 880 CA PHE A 56 -5.664 3.647 -4.886 1.00 41.12 C ATOM 881 C PHE A 56 -7.138 4.092 -4.756 1.00 11.20 C ATOM 882 O PHE A 56 -7.485 5.197 -5.188 1.00 74.42 O ATOM 883 CB PHE A 56 -5.303 3.359 -6.376 1.00 40.13 C ATOM 884 CG PHE A 56 -3.818 3.526 -6.702 1.00 34.35 C ATOM 885 CD1 PHE A 56 -3.260 4.802 -6.806 1.00 51.22 C ATOM 886 CD2 PHE A 56 -2.984 2.428 -6.926 1.00 24.22 C ATOM 887 CE1 PHE A 56 -1.929 4.968 -7.123 1.00 34.34 C ATOM 888 CE2 PHE A 56 -1.653 2.600 -7.238 1.00 52.30 C ATOM 889 CZ PHE A 56 -1.128 3.869 -7.338 1.00 20.04 C ATOM 0 H PHE A 56 -5.259 1.604 -4.536 1.00 45.44 H new ATOM 0 HA PHE A 56 -5.042 4.471 -4.537 1.00 41.12 H new ATOM 0 HB2 PHE A 56 -5.606 2.341 -6.622 1.00 40.13 H new ATOM 0 HB3 PHE A 56 -5.882 4.027 -7.014 1.00 40.13 H new ATOM 0 HD1 PHE A 56 -3.880 5.670 -6.636 1.00 51.22 H new ATOM 0 HD2 PHE A 56 -3.389 1.429 -6.854 1.00 24.22 H new ATOM 0 HE1 PHE A 56 -1.514 5.962 -7.203 1.00 34.34 H new ATOM 0 HE2 PHE A 56 -1.022 1.740 -7.404 1.00 52.30 H new ATOM 0 HZ PHE A 56 -0.085 4.003 -7.586 1.00 20.04 H new ATOM 899 N ARG A 57 -7.998 3.232 -4.169 1.00 33.31 N ATOM 900 CA ARG A 57 -9.388 3.608 -3.820 1.00 31.31 C ATOM 901 C ARG A 57 -9.419 4.678 -2.706 1.00 43.31 C ATOM 902 O ARG A 57 -10.400 5.422 -2.579 1.00 75.20 O ATOM 903 CB ARG A 57 -10.204 2.382 -3.347 1.00 73.43 C ATOM 904 CG ARG A 57 -10.631 1.397 -4.456 1.00 53.14 C ATOM 905 CD ARG A 57 -11.546 0.273 -3.915 1.00 42.34 C ATOM 906 NE ARG A 57 -12.796 0.798 -3.307 1.00 74.23 N ATOM 907 CZ ARG A 57 -13.066 0.847 -1.986 1.00 32.12 C ATOM 908 NH1 ARG A 57 -12.196 0.388 -1.089 1.00 75.40 N ATOM 909 NH2 ARG A 57 -14.207 1.351 -1.572 1.00 72.42 N ATOM 0 H ARG A 57 -7.755 2.272 -3.926 1.00 33.31 H new ATOM 0 HA ARG A 57 -9.836 4.014 -4.727 1.00 31.31 H new ATOM 0 HB2 ARG A 57 -9.614 1.838 -2.610 1.00 73.43 H new ATOM 0 HB3 ARG A 57 -11.099 2.738 -2.838 1.00 73.43 H new ATOM 0 HG2 ARG A 57 -11.153 1.942 -5.243 1.00 53.14 H new ATOM 0 HG3 ARG A 57 -9.744 0.955 -4.909 1.00 53.14 H new ATOM 0 HD2 ARG A 57 -11.799 -0.407 -4.728 1.00 42.34 H new ATOM 0 HD3 ARG A 57 -11.001 -0.308 -3.171 1.00 42.34 H new ATOM 0 HE ARG A 57 -13.511 1.152 -3.943 1.00 74.23 H new ATOM 0 HH11 ARG A 57 -11.308 -0.009 -1.396 1.00 75.40 H new ATOM 0 HH12 ARG A 57 -12.417 0.433 -0.094 1.00 75.40 H new ATOM 0 HH21 ARG A 57 -14.884 1.703 -2.248 1.00 72.42 H new ATOM 0 HH22 ARG A 57 -14.415 1.390 -0.574 1.00 72.42 H new ATOM 923 N ILE A 58 -8.334 4.744 -1.917 1.00 52.13 N ATOM 924 CA ILE A 58 -8.248 5.584 -0.715 1.00 34.30 C ATOM 925 C ILE A 58 -7.886 7.017 -1.140 1.00 14.44 C ATOM 926 O ILE A 58 -6.814 7.245 -1.719 1.00 3.41 O ATOM 927 CB ILE A 58 -7.184 4.994 0.288 1.00 64.41 C ATOM 928 CG1 ILE A 58 -7.479 3.472 0.529 1.00 2.54 C ATOM 929 CG2 ILE A 58 -7.156 5.789 1.618 1.00 74.35 C ATOM 930 CD1 ILE A 58 -6.482 2.740 1.405 1.00 21.00 C ATOM 0 H ILE A 58 -7.484 4.210 -2.099 1.00 52.13 H new ATOM 0 HA ILE A 58 -9.208 5.600 -0.198 1.00 34.30 H new ATOM 0 HB ILE A 58 -6.192 5.091 -0.153 1.00 64.41 H new ATOM 0 HG12 ILE A 58 -8.467 3.379 0.979 1.00 2.54 H new ATOM 0 HG13 ILE A 58 -7.521 2.971 -0.438 1.00 2.54 H new ATOM 0 HG21 ILE A 58 -6.412 5.355 2.286 1.00 74.35 H new ATOM 0 HG22 ILE A 58 -6.899 6.829 1.415 1.00 74.35 H new ATOM 0 HG23 ILE A 58 -8.137 5.743 2.090 1.00 74.35 H new ATOM 0 HD11 ILE A 58 -6.782 1.697 1.505 1.00 21.00 H new ATOM 0 HD12 ILE A 58 -5.492 2.791 0.951 1.00 21.00 H new ATOM 0 HD13 ILE A 58 -6.453 3.205 2.390 1.00 21.00 H new ATOM 942 N GLU A 59 -8.823 7.953 -0.907 1.00 12.02 N ATOM 943 CA GLU A 59 -8.703 9.364 -1.318 1.00 31.24 C ATOM 944 C GLU A 59 -7.598 10.069 -0.507 1.00 72.22 C ATOM 945 O GLU A 59 -7.840 10.608 0.582 1.00 24.21 O ATOM 946 CB GLU A 59 -10.067 10.081 -1.151 1.00 54.11 C ATOM 947 CG GLU A 59 -11.205 9.489 -2.014 1.00 31.12 C ATOM 948 CD GLU A 59 -12.565 10.141 -1.725 1.00 20.34 C ATOM 949 OE1 GLU A 59 -13.121 9.888 -0.636 1.00 4.55 O ATOM 950 OE2 GLU A 59 -13.064 10.933 -2.554 1.00 61.51 O ATOM 0 H GLU A 59 -9.696 7.748 -0.422 1.00 12.02 H new ATOM 0 HA GLU A 59 -8.421 9.407 -2.370 1.00 31.24 H new ATOM 0 HB2 GLU A 59 -10.361 10.038 -0.102 1.00 54.11 H new ATOM 0 HB3 GLU A 59 -9.944 11.134 -1.404 1.00 54.11 H new ATOM 0 HG2 GLU A 59 -10.961 9.618 -3.069 1.00 31.12 H new ATOM 0 HG3 GLU A 59 -11.274 8.417 -1.832 1.00 31.12 H new ATOM 957 N GLY A 60 -6.378 10.004 -1.046 1.00 10.44 N ATOM 958 CA GLY A 60 -5.191 10.527 -0.389 1.00 53.41 C ATOM 959 C GLY A 60 -3.917 9.924 -0.956 1.00 35.04 C ATOM 960 O GLY A 60 -2.839 10.500 -0.809 1.00 33.44 O ATOM 0 H GLY A 60 -6.191 9.583 -1.956 1.00 10.44 H new ATOM 0 HA2 GLY A 60 -5.161 11.611 -0.502 1.00 53.41 H new ATOM 0 HA3 GLY A 60 -5.246 10.320 0.680 1.00 53.41 H new ATOM 964 N VAL A 61 -4.051 8.753 -1.599 1.00 1.42 N ATOM 965 CA VAL A 61 -2.930 7.992 -2.170 1.00 12.53 C ATOM 966 C VAL A 61 -2.626 8.475 -3.607 1.00 14.21 C ATOM 967 O VAL A 61 -3.500 8.444 -4.479 1.00 30.51 O ATOM 968 CB VAL A 61 -3.258 6.453 -2.162 1.00 44.13 C ATOM 969 CG1 VAL A 61 -2.127 5.623 -2.814 1.00 54.45 C ATOM 970 CG2 VAL A 61 -3.555 5.962 -0.716 1.00 34.25 C ATOM 0 H VAL A 61 -4.955 8.302 -1.738 1.00 1.42 H new ATOM 0 HA VAL A 61 -2.045 8.161 -1.557 1.00 12.53 H new ATOM 0 HB VAL A 61 -4.154 6.302 -2.764 1.00 44.13 H new ATOM 0 HG11 VAL A 61 -2.391 4.566 -2.789 1.00 54.45 H new ATOM 0 HG12 VAL A 61 -1.993 5.939 -3.848 1.00 54.45 H new ATOM 0 HG13 VAL A 61 -1.199 5.778 -2.264 1.00 54.45 H new ATOM 0 HG21 VAL A 61 -3.779 4.895 -0.733 1.00 34.25 H new ATOM 0 HG22 VAL A 61 -2.684 6.140 -0.085 1.00 34.25 H new ATOM 0 HG23 VAL A 61 -4.410 6.506 -0.315 1.00 34.25 H new ATOM 980 N LYS A 62 -1.384 8.930 -3.824 1.00 23.22 N ATOM 981 CA LYS A 62 -0.885 9.364 -5.140 1.00 52.55 C ATOM 982 C LYS A 62 -0.312 8.173 -5.907 1.00 25.54 C ATOM 983 O LYS A 62 -0.571 7.989 -7.105 1.00 51.23 O ATOM 984 CB LYS A 62 0.217 10.436 -4.950 1.00 20.23 C ATOM 985 CG LYS A 62 0.750 11.080 -6.252 1.00 71.11 C ATOM 986 CD LYS A 62 -0.358 11.830 -7.034 1.00 31.15 C ATOM 987 CE LYS A 62 0.179 12.571 -8.271 1.00 63.14 C ATOM 988 NZ LYS A 62 1.129 13.656 -7.902 1.00 54.42 N ATOM 0 H LYS A 62 -0.688 9.009 -3.083 1.00 23.22 H new ATOM 0 HA LYS A 62 -1.713 9.787 -5.709 1.00 52.55 H new ATOM 0 HB2 LYS A 62 -0.175 11.225 -4.309 1.00 20.23 H new ATOM 0 HB3 LYS A 62 1.054 9.982 -4.421 1.00 20.23 H new ATOM 0 HG2 LYS A 62 1.553 11.775 -6.008 1.00 71.11 H new ATOM 0 HG3 LYS A 62 1.180 10.306 -6.888 1.00 71.11 H new ATOM 0 HD2 LYS A 62 -1.121 11.117 -7.347 1.00 31.15 H new ATOM 0 HD3 LYS A 62 -0.843 12.546 -6.370 1.00 31.15 H new ATOM 0 HE2 LYS A 62 0.678 11.861 -8.931 1.00 63.14 H new ATOM 0 HE3 LYS A 62 -0.655 12.994 -8.831 1.00 63.14 H new ATOM 0 HZ1 LYS A 62 1.336 14.236 -8.740 1.00 54.42 H new ATOM 0 HZ2 LYS A 62 0.705 14.253 -7.164 1.00 54.42 H new ATOM 0 HZ3 LYS A 62 2.012 13.238 -7.544 1.00 54.42 H new ATOM 1002 N SER A 63 0.475 7.367 -5.189 1.00 34.51 N ATOM 1003 CA SER A 63 1.284 6.289 -5.764 1.00 1.34 C ATOM 1004 C SER A 63 1.513 5.224 -4.689 1.00 60.22 C ATOM 1005 O SER A 63 1.570 5.541 -3.498 1.00 30.40 O ATOM 1006 CB SER A 63 2.640 6.847 -6.258 1.00 15.15 C ATOM 1007 OG SER A 63 2.465 7.883 -7.217 1.00 62.05 O ATOM 0 H SER A 63 0.569 7.446 -4.176 1.00 34.51 H new ATOM 0 HA SER A 63 0.764 5.850 -6.615 1.00 1.34 H new ATOM 0 HB2 SER A 63 3.207 7.229 -5.409 1.00 15.15 H new ATOM 0 HB3 SER A 63 3.227 6.040 -6.697 1.00 15.15 H new ATOM 0 HG SER A 63 2.131 7.500 -8.055 1.00 62.05 H new ATOM 1013 N VAL A 64 1.620 3.959 -5.113 1.00 64.52 N ATOM 1014 CA VAL A 64 1.930 2.826 -4.222 1.00 21.33 C ATOM 1015 C VAL A 64 3.149 2.071 -4.778 1.00 24.11 C ATOM 1016 O VAL A 64 3.317 1.963 -5.987 1.00 13.41 O ATOM 1017 CB VAL A 64 0.717 1.826 -4.076 1.00 62.22 C ATOM 1018 CG1 VAL A 64 0.988 0.781 -2.979 1.00 43.31 C ATOM 1019 CG2 VAL A 64 -0.614 2.558 -3.792 1.00 71.53 C ATOM 0 H VAL A 64 1.494 3.688 -6.088 1.00 64.52 H new ATOM 0 HA VAL A 64 2.141 3.229 -3.232 1.00 21.33 H new ATOM 0 HB VAL A 64 0.618 1.316 -5.034 1.00 62.22 H new ATOM 0 HG11 VAL A 64 0.136 0.106 -2.901 1.00 43.31 H new ATOM 0 HG12 VAL A 64 1.881 0.210 -3.233 1.00 43.31 H new ATOM 0 HG13 VAL A 64 1.139 1.286 -2.025 1.00 43.31 H new ATOM 0 HG21 VAL A 64 -1.418 1.828 -3.700 1.00 71.53 H new ATOM 0 HG22 VAL A 64 -0.528 3.122 -2.863 1.00 71.53 H new ATOM 0 HG23 VAL A 64 -0.836 3.241 -4.612 1.00 71.53 H new ATOM 1029 N PHE A 65 3.992 1.562 -3.881 1.00 63.15 N ATOM 1030 CA PHE A 65 5.147 0.721 -4.222 1.00 43.14 C ATOM 1031 C PHE A 65 5.032 -0.583 -3.427 1.00 35.43 C ATOM 1032 O PHE A 65 4.979 -0.560 -2.200 1.00 41.43 O ATOM 1033 CB PHE A 65 6.484 1.447 -3.896 1.00 2.41 C ATOM 1034 CG PHE A 65 7.735 0.611 -4.215 1.00 33.33 C ATOM 1035 CD1 PHE A 65 8.208 0.518 -5.524 1.00 42.22 C ATOM 1036 CD2 PHE A 65 8.414 -0.108 -3.222 1.00 74.24 C ATOM 1037 CE1 PHE A 65 9.314 -0.256 -5.832 1.00 50.35 C ATOM 1038 CE2 PHE A 65 9.513 -0.885 -3.537 1.00 3.01 C ATOM 1039 CZ PHE A 65 9.962 -0.957 -4.839 1.00 1.13 C ATOM 0 H PHE A 65 3.893 1.723 -2.879 1.00 63.15 H new ATOM 0 HA PHE A 65 5.149 0.512 -5.292 1.00 43.14 H new ATOM 0 HB2 PHE A 65 6.528 2.379 -4.459 1.00 2.41 H new ATOM 0 HB3 PHE A 65 6.495 1.712 -2.839 1.00 2.41 H new ATOM 0 HD1 PHE A 65 7.703 1.059 -6.311 1.00 42.22 H new ATOM 0 HD2 PHE A 65 8.074 -0.054 -2.198 1.00 74.24 H new ATOM 0 HE1 PHE A 65 9.669 -0.310 -6.851 1.00 50.35 H new ATOM 0 HE2 PHE A 65 10.022 -1.438 -2.761 1.00 3.01 H new ATOM 0 HZ PHE A 65 10.822 -1.564 -5.080 1.00 1.13 H new ATOM 1049 N PHE A 66 4.977 -1.712 -4.132 1.00 22.14 N ATOM 1050 CA PHE A 66 5.051 -3.045 -3.513 1.00 14.41 C ATOM 1051 C PHE A 66 6.509 -3.523 -3.550 1.00 32.22 C ATOM 1052 O PHE A 66 7.134 -3.573 -4.622 1.00 70.21 O ATOM 1053 CB PHE A 66 4.107 -4.043 -4.241 1.00 54.14 C ATOM 1054 CG PHE A 66 2.620 -3.936 -3.879 1.00 72.14 C ATOM 1055 CD1 PHE A 66 1.971 -2.705 -3.781 1.00 13.14 C ATOM 1056 CD2 PHE A 66 1.869 -5.084 -3.642 1.00 34.22 C ATOM 1057 CE1 PHE A 66 0.630 -2.635 -3.461 1.00 64.45 C ATOM 1058 CE2 PHE A 66 0.527 -5.003 -3.325 1.00 25.32 C ATOM 1059 CZ PHE A 66 -0.087 -3.781 -3.236 1.00 73.03 C ATOM 0 H PHE A 66 4.880 -1.734 -5.147 1.00 22.14 H new ATOM 0 HA PHE A 66 4.719 -2.991 -2.476 1.00 14.41 H new ATOM 0 HB2 PHE A 66 4.212 -3.896 -5.316 1.00 54.14 H new ATOM 0 HB3 PHE A 66 4.443 -5.057 -4.024 1.00 54.14 H new ATOM 0 HD1 PHE A 66 2.525 -1.795 -3.958 1.00 13.14 H new ATOM 0 HD2 PHE A 66 2.343 -6.052 -3.707 1.00 34.22 H new ATOM 0 HE1 PHE A 66 0.144 -1.673 -3.388 1.00 64.45 H new ATOM 0 HE2 PHE A 66 -0.040 -5.905 -3.147 1.00 25.32 H new ATOM 0 HZ PHE A 66 -1.137 -3.721 -2.988 1.00 73.03 H new ATOM 1069 N GLY A 67 7.036 -3.851 -2.372 1.00 44.23 N ATOM 1070 CA GLY A 67 8.428 -4.259 -2.188 1.00 12.33 C ATOM 1071 C GLY A 67 8.534 -5.609 -1.492 1.00 22.10 C ATOM 1072 O GLY A 67 7.501 -6.219 -1.163 1.00 41.01 O ATOM 0 H GLY A 67 6.500 -3.841 -1.504 1.00 44.23 H new ATOM 0 HA2 GLY A 67 8.923 -4.310 -3.158 1.00 12.33 H new ATOM 0 HA3 GLY A 67 8.953 -3.505 -1.601 1.00 12.33 H new ATOM 1076 N PRO A 68 9.781 -6.136 -1.282 1.00 2.14 N ATOM 1077 CA PRO A 68 9.984 -7.428 -0.609 1.00 52.33 C ATOM 1078 C PRO A 68 9.619 -7.333 0.902 1.00 21.12 C ATOM 1079 O PRO A 68 10.124 -6.447 1.613 1.00 14.43 O ATOM 1080 CB PRO A 68 11.486 -7.732 -0.851 1.00 21.32 C ATOM 1081 CG PRO A 68 12.133 -6.382 -1.031 1.00 24.23 C ATOM 1082 CD PRO A 68 11.074 -5.486 -1.653 1.00 61.42 C ATOM 0 HA PRO A 68 9.346 -8.225 -0.991 1.00 52.33 H new ATOM 0 HB2 PRO A 68 11.921 -8.269 -0.008 1.00 21.32 H new ATOM 0 HB3 PRO A 68 11.625 -8.357 -1.733 1.00 21.32 H new ATOM 0 HG2 PRO A 68 12.470 -5.981 -0.075 1.00 24.23 H new ATOM 0 HG3 PRO A 68 13.010 -6.453 -1.674 1.00 24.23 H new ATOM 0 HD2 PRO A 68 11.134 -4.469 -1.265 1.00 61.42 H new ATOM 0 HD3 PRO A 68 11.192 -5.422 -2.735 1.00 61.42 H new ATOM 1090 N ASP A 69 8.643 -8.183 1.314 1.00 2.10 N ATOM 1091 CA ASP A 69 8.150 -8.343 2.706 1.00 34.52 C ATOM 1092 C ASP A 69 7.154 -7.225 3.125 1.00 72.34 C ATOM 1093 O ASP A 69 6.332 -7.429 4.032 1.00 51.25 O ATOM 1094 CB ASP A 69 9.329 -8.478 3.723 1.00 14.14 C ATOM 1095 CG ASP A 69 8.877 -8.658 5.184 1.00 61.33 C ATOM 1096 OD1 ASP A 69 8.406 -9.759 5.536 1.00 4.11 O ATOM 1097 OD2 ASP A 69 8.999 -7.696 5.981 1.00 43.30 O ATOM 0 H ASP A 69 8.160 -8.799 0.660 1.00 2.10 H new ATOM 0 HA ASP A 69 7.588 -9.277 2.727 1.00 34.52 H new ATOM 0 HB2 ASP A 69 9.947 -9.329 3.437 1.00 14.14 H new ATOM 0 HB3 ASP A 69 9.958 -7.590 3.655 1.00 14.14 H new ATOM 1102 N SER A 70 7.174 -6.082 2.426 1.00 13.12 N ATOM 1103 CA SER A 70 6.502 -4.859 2.893 1.00 43.01 C ATOM 1104 C SER A 70 5.989 -4.001 1.721 1.00 55.02 C ATOM 1105 O SER A 70 6.353 -4.212 0.564 1.00 4.55 O ATOM 1106 CB SER A 70 7.501 -4.071 3.767 1.00 21.20 C ATOM 1107 OG SER A 70 8.737 -3.887 3.090 1.00 54.31 O ATOM 0 H SER A 70 7.651 -5.978 1.530 1.00 13.12 H new ATOM 0 HA SER A 70 5.622 -5.129 3.477 1.00 43.01 H new ATOM 0 HB2 SER A 70 7.076 -3.101 4.026 1.00 21.20 H new ATOM 0 HB3 SER A 70 7.671 -4.605 4.702 1.00 21.20 H new ATOM 0 HG SER A 70 9.477 -4.001 3.723 1.00 54.31 H new ATOM 1113 N ILE A 71 5.138 -3.020 2.062 1.00 0.42 N ATOM 1114 CA ILE A 71 4.540 -2.061 1.113 1.00 51.41 C ATOM 1115 C ILE A 71 4.981 -0.647 1.545 1.00 73.05 C ATOM 1116 O ILE A 71 5.319 -0.431 2.707 1.00 41.11 O ATOM 1117 CB ILE A 71 2.957 -2.155 1.103 1.00 72.45 C ATOM 1118 CG1 ILE A 71 2.491 -3.635 0.899 1.00 53.42 C ATOM 1119 CG2 ILE A 71 2.335 -1.223 0.022 1.00 0.21 C ATOM 1120 CD1 ILE A 71 0.989 -3.841 0.976 1.00 52.02 C ATOM 0 H ILE A 71 4.839 -2.866 3.025 1.00 0.42 H new ATOM 0 HA ILE A 71 4.879 -2.290 0.102 1.00 51.41 H new ATOM 0 HB ILE A 71 2.600 -1.813 2.074 1.00 72.45 H new ATOM 0 HG12 ILE A 71 2.843 -3.982 -0.073 1.00 53.42 H new ATOM 0 HG13 ILE A 71 2.969 -4.260 1.653 1.00 53.42 H new ATOM 0 HG21 ILE A 71 1.249 -1.314 0.044 1.00 0.21 H new ATOM 0 HG22 ILE A 71 2.617 -0.190 0.226 1.00 0.21 H new ATOM 0 HG23 ILE A 71 2.703 -1.512 -0.963 1.00 0.21 H new ATOM 0 HD11 ILE A 71 0.758 -4.895 0.823 1.00 52.02 H new ATOM 0 HD12 ILE A 71 0.629 -3.529 1.956 1.00 52.02 H new ATOM 0 HD13 ILE A 71 0.500 -3.247 0.204 1.00 52.02 H new ATOM 1132 N THR A 72 5.038 0.281 0.593 1.00 74.14 N ATOM 1133 CA THR A 72 5.283 1.710 0.845 1.00 63.14 C ATOM 1134 C THR A 72 4.241 2.533 0.064 1.00 52.40 C ATOM 1135 O THR A 72 4.196 2.461 -1.160 1.00 34.24 O ATOM 1136 CB THR A 72 6.734 2.114 0.419 1.00 63.51 C ATOM 1137 OG1 THR A 72 7.690 1.276 1.104 1.00 32.21 O ATOM 1138 CG2 THR A 72 7.036 3.598 0.728 1.00 34.31 C ATOM 0 H THR A 72 4.914 0.063 -0.396 1.00 74.14 H new ATOM 0 HA THR A 72 5.189 1.911 1.912 1.00 63.14 H new ATOM 0 HB THR A 72 6.813 1.975 -0.659 1.00 63.51 H new ATOM 0 HG1 THR A 72 8.598 1.529 0.835 1.00 32.21 H new ATOM 0 HG21 THR A 72 8.053 3.835 0.416 1.00 34.31 H new ATOM 0 HG22 THR A 72 6.334 4.232 0.187 1.00 34.31 H new ATOM 0 HG23 THR A 72 6.934 3.775 1.799 1.00 34.31 H new ATOM 1146 N VAL A 73 3.413 3.311 0.777 1.00 70.52 N ATOM 1147 CA VAL A 73 2.347 4.131 0.172 1.00 64.14 C ATOM 1148 C VAL A 73 2.799 5.600 0.207 1.00 63.10 C ATOM 1149 O VAL A 73 3.419 6.035 1.176 1.00 71.40 O ATOM 1150 CB VAL A 73 0.984 3.957 0.940 1.00 1.35 C ATOM 1151 CG1 VAL A 73 -0.127 4.868 0.360 1.00 14.21 C ATOM 1152 CG2 VAL A 73 0.532 2.473 0.942 1.00 11.33 C ATOM 0 H VAL A 73 3.462 3.391 1.793 1.00 70.52 H new ATOM 0 HA VAL A 73 2.179 3.809 -0.856 1.00 64.14 H new ATOM 0 HB VAL A 73 1.155 4.266 1.971 1.00 1.35 H new ATOM 0 HG11 VAL A 73 -1.050 4.716 0.919 1.00 14.21 H new ATOM 0 HG12 VAL A 73 0.179 5.911 0.441 1.00 14.21 H new ATOM 0 HG13 VAL A 73 -0.292 4.618 -0.688 1.00 14.21 H new ATOM 0 HG21 VAL A 73 -0.412 2.381 1.479 1.00 11.33 H new ATOM 0 HG22 VAL A 73 0.400 2.131 -0.085 1.00 11.33 H new ATOM 0 HG23 VAL A 73 1.290 1.863 1.433 1.00 11.33 H new ATOM 1162 N THR A 74 2.502 6.343 -0.861 1.00 64.44 N ATOM 1163 CA THR A 74 2.820 7.769 -0.977 1.00 23.14 C ATOM 1164 C THR A 74 1.506 8.569 -1.061 1.00 74.41 C ATOM 1165 O THR A 74 0.587 8.182 -1.789 1.00 60.11 O ATOM 1166 CB THR A 74 3.709 8.040 -2.236 1.00 54.43 C ATOM 1167 OG1 THR A 74 4.873 7.190 -2.203 1.00 14.12 O ATOM 1168 CG2 THR A 74 4.155 9.514 -2.324 1.00 70.43 C ATOM 0 H THR A 74 2.027 5.966 -1.681 1.00 64.44 H new ATOM 0 HA THR A 74 3.384 8.085 -0.100 1.00 23.14 H new ATOM 0 HB THR A 74 3.105 7.820 -3.116 1.00 54.43 H new ATOM 0 HG1 THR A 74 5.426 7.362 -2.994 1.00 14.12 H new ATOM 0 HG21 THR A 74 4.770 9.656 -3.213 1.00 70.43 H new ATOM 0 HG22 THR A 74 3.277 10.157 -2.384 1.00 70.43 H new ATOM 0 HG23 THR A 74 4.734 9.772 -1.438 1.00 70.43 H new ATOM 1176 N LYS A 75 1.433 9.677 -0.299 1.00 4.24 N ATOM 1177 CA LYS A 75 0.287 10.604 -0.304 1.00 54.42 C ATOM 1178 C LYS A 75 0.384 11.550 -1.517 1.00 24.22 C ATOM 1179 O LYS A 75 1.408 11.568 -2.215 1.00 51.15 O ATOM 1180 CB LYS A 75 0.256 11.434 1.013 1.00 71.31 C ATOM 1181 CG LYS A 75 1.346 12.536 1.102 1.00 72.12 C ATOM 1182 CD LYS A 75 1.403 13.229 2.479 1.00 65.32 C ATOM 1183 CE LYS A 75 1.902 12.304 3.594 1.00 34.32 C ATOM 1184 NZ LYS A 75 2.066 13.019 4.881 1.00 44.25 N ATOM 0 H LYS A 75 2.175 9.956 0.343 1.00 4.24 H new ATOM 0 HA LYS A 75 -0.633 10.023 -0.374 1.00 54.42 H new ATOM 0 HB2 LYS A 75 -0.724 11.901 1.111 1.00 71.31 H new ATOM 0 HB3 LYS A 75 0.372 10.756 1.858 1.00 71.31 H new ATOM 0 HG2 LYS A 75 2.318 12.094 0.885 1.00 72.12 H new ATOM 0 HG3 LYS A 75 1.158 13.286 0.333 1.00 72.12 H new ATOM 0 HD2 LYS A 75 2.058 14.098 2.415 1.00 65.32 H new ATOM 0 HD3 LYS A 75 0.409 13.596 2.736 1.00 65.32 H new ATOM 0 HE2 LYS A 75 1.198 11.482 3.724 1.00 34.32 H new ATOM 0 HE3 LYS A 75 2.855 11.865 3.300 1.00 34.32 H new ATOM 0 HZ1 LYS A 75 2.290 12.335 5.632 1.00 44.25 H new ATOM 0 HZ2 LYS A 75 2.840 13.709 4.799 1.00 44.25 H new ATOM 0 HZ3 LYS A 75 1.183 13.516 5.117 1.00 44.25 H new ATOM 1198 N GLU A 76 -0.663 12.351 -1.745 1.00 23.04 N ATOM 1199 CA GLU A 76 -0.686 13.335 -2.845 1.00 5.51 C ATOM 1200 C GLU A 76 0.039 14.633 -2.448 1.00 72.41 C ATOM 1201 O GLU A 76 0.919 15.104 -3.175 1.00 43.41 O ATOM 1202 CB GLU A 76 -2.142 13.629 -3.278 1.00 73.24 C ATOM 1203 CG GLU A 76 -2.935 12.381 -3.711 1.00 1.22 C ATOM 1204 CD GLU A 76 -4.387 12.696 -4.099 1.00 52.42 C ATOM 1205 OE1 GLU A 76 -4.619 13.108 -5.256 1.00 45.50 O ATOM 1206 OE2 GLU A 76 -5.295 12.530 -3.258 1.00 72.02 O ATOM 0 H GLU A 76 -1.513 12.340 -1.181 1.00 23.04 H new ATOM 0 HA GLU A 76 -0.153 12.905 -3.693 1.00 5.51 H new ATOM 0 HB2 GLU A 76 -2.665 14.110 -2.451 1.00 73.24 H new ATOM 0 HB3 GLU A 76 -2.127 14.341 -4.103 1.00 73.24 H new ATOM 0 HG2 GLU A 76 -2.432 11.914 -4.558 1.00 1.22 H new ATOM 0 HG3 GLU A 76 -2.932 11.655 -2.898 1.00 1.22 H new ATOM 1213 N ASN A 77 -0.315 15.189 -1.279 1.00 63.33 N ATOM 1214 CA ASN A 77 0.174 16.521 -0.856 1.00 62.01 C ATOM 1215 C ASN A 77 0.281 16.631 0.677 1.00 24.42 C ATOM 1216 O ASN A 77 -0.196 15.758 1.409 1.00 51.23 O ATOM 1217 CB ASN A 77 -0.744 17.629 -1.439 1.00 73.31 C ATOM 1218 CG ASN A 77 -2.186 17.527 -0.944 1.00 61.10 C ATOM 1219 OD1 ASN A 77 -2.557 18.124 0.056 1.00 30.33 O ATOM 1220 ND2 ASN A 77 -2.996 16.750 -1.627 1.00 12.15 N ATOM 0 H ASN A 77 -0.938 14.741 -0.606 1.00 63.33 H new ATOM 0 HA ASN A 77 1.181 16.656 -1.251 1.00 62.01 H new ATOM 0 HB2 ASN A 77 -0.341 18.606 -1.171 1.00 73.31 H new ATOM 0 HB3 ASN A 77 -0.733 17.567 -2.527 1.00 73.31 H new ATOM 0 HD21 ASN A 77 -3.964 16.632 -1.327 1.00 12.15 H new ATOM 0 HD22 ASN A 77 -2.657 16.265 -2.458 1.00 12.15 H new ATOM 1227 N GLU A 78 0.868 17.752 1.129 1.00 33.51 N ATOM 1228 CA GLU A 78 1.272 17.993 2.533 1.00 14.51 C ATOM 1229 C GLU A 78 0.080 18.269 3.479 1.00 24.11 C ATOM 1230 O GLU A 78 0.263 18.328 4.704 1.00 32.25 O ATOM 1231 CB GLU A 78 2.269 19.178 2.569 1.00 54.42 C ATOM 1232 CG GLU A 78 3.610 18.914 1.844 1.00 2.35 C ATOM 1233 CD GLU A 78 4.515 20.155 1.752 1.00 1.23 C ATOM 1234 OE1 GLU A 78 4.837 20.742 2.810 1.00 42.20 O ATOM 1235 OE2 GLU A 78 4.918 20.549 0.632 1.00 5.41 O ATOM 0 H GLU A 78 1.082 18.538 0.516 1.00 33.51 H new ATOM 0 HA GLU A 78 1.740 17.079 2.900 1.00 14.51 H new ATOM 0 HB2 GLU A 78 1.793 20.050 2.119 1.00 54.42 H new ATOM 0 HB3 GLU A 78 2.477 19.429 3.609 1.00 54.42 H new ATOM 0 HG2 GLU A 78 4.146 18.122 2.366 1.00 2.35 H new ATOM 0 HG3 GLU A 78 3.404 18.550 0.838 1.00 2.35 H new ATOM 1242 N GLU A 79 -1.122 18.463 2.920 1.00 33.13 N ATOM 1243 CA GLU A 79 -2.361 18.584 3.720 1.00 63.34 C ATOM 1244 C GLU A 79 -2.779 17.207 4.270 1.00 53.34 C ATOM 1245 O GLU A 79 -3.292 17.098 5.390 1.00 75.33 O ATOM 1246 CB GLU A 79 -3.502 19.218 2.863 1.00 11.52 C ATOM 1247 CG GLU A 79 -4.885 19.346 3.558 1.00 73.42 C ATOM 1248 CD GLU A 79 -4.865 20.214 4.835 1.00 22.03 C ATOM 1249 OE1 GLU A 79 -4.766 21.457 4.724 1.00 24.02 O ATOM 1250 OE2 GLU A 79 -4.952 19.667 5.958 1.00 2.41 O ATOM 0 H GLU A 79 -1.269 18.541 1.914 1.00 33.13 H new ATOM 0 HA GLU A 79 -2.170 19.243 4.567 1.00 63.34 H new ATOM 0 HB2 GLU A 79 -3.183 20.211 2.547 1.00 11.52 H new ATOM 0 HB3 GLU A 79 -3.625 18.621 1.960 1.00 11.52 H new ATOM 0 HG2 GLU A 79 -5.598 19.772 2.852 1.00 73.42 H new ATOM 0 HG3 GLU A 79 -5.246 18.350 3.813 1.00 73.42 H new ATOM 1257 N LEU A 80 -2.493 16.147 3.493 1.00 3.12 N ATOM 1258 CA LEU A 80 -3.000 14.797 3.760 1.00 52.41 C ATOM 1259 C LEU A 80 -2.245 14.122 4.912 1.00 31.45 C ATOM 1260 O LEU A 80 -1.079 13.723 4.782 1.00 53.40 O ATOM 1261 CB LEU A 80 -2.922 13.959 2.476 1.00 51.12 C ATOM 1262 CG LEU A 80 -3.762 14.514 1.286 1.00 4.41 C ATOM 1263 CD1 LEU A 80 -3.491 13.716 0.022 1.00 73.52 C ATOM 1264 CD2 LEU A 80 -5.274 14.538 1.621 1.00 73.11 C ATOM 0 H LEU A 80 -1.903 16.207 2.663 1.00 3.12 H new ATOM 0 HA LEU A 80 -4.041 14.874 4.073 1.00 52.41 H new ATOM 0 HB2 LEU A 80 -1.879 13.889 2.166 1.00 51.12 H new ATOM 0 HB3 LEU A 80 -3.257 12.946 2.698 1.00 51.12 H new ATOM 0 HG LEU A 80 -3.454 15.545 1.110 1.00 4.41 H new ATOM 0 HD11 LEU A 80 -4.087 14.119 -0.797 1.00 73.52 H new ATOM 0 HD12 LEU A 80 -2.433 13.784 -0.231 1.00 73.52 H new ATOM 0 HD13 LEU A 80 -3.759 12.672 0.186 1.00 73.52 H new ATOM 0 HD21 LEU A 80 -5.829 14.931 0.769 1.00 73.11 H new ATOM 0 HD22 LEU A 80 -5.614 13.526 1.841 1.00 73.11 H new ATOM 0 HD23 LEU A 80 -5.444 15.174 2.489 1.00 73.11 H new ATOM 1276 N ASP A 81 -2.939 14.057 6.035 1.00 3.22 N ATOM 1277 CA ASP A 81 -2.485 13.412 7.273 1.00 55.24 C ATOM 1278 C ASP A 81 -2.622 11.889 7.137 1.00 30.24 C ATOM 1279 O ASP A 81 -3.696 11.400 6.776 1.00 64.43 O ATOM 1280 CB ASP A 81 -3.324 13.957 8.474 1.00 53.34 C ATOM 1281 CG ASP A 81 -3.286 13.069 9.731 1.00 12.42 C ATOM 1282 OD1 ASP A 81 -2.219 12.964 10.368 1.00 12.21 O ATOM 1283 OD2 ASP A 81 -4.318 12.458 10.070 1.00 64.44 O ATOM 0 H ASP A 81 -3.870 14.465 6.122 1.00 3.22 H new ATOM 0 HA ASP A 81 -1.435 13.641 7.457 1.00 55.24 H new ATOM 0 HB2 ASP A 81 -2.960 14.951 8.735 1.00 53.34 H new ATOM 0 HB3 ASP A 81 -4.360 14.071 8.156 1.00 53.34 H new ATOM 1288 N TRP A 82 -1.522 11.151 7.423 1.00 21.40 N ATOM 1289 CA TRP A 82 -1.483 9.677 7.329 1.00 35.01 C ATOM 1290 C TRP A 82 -2.544 9.007 8.205 1.00 21.22 C ATOM 1291 O TRP A 82 -3.104 8.007 7.793 1.00 33.15 O ATOM 1292 CB TRP A 82 -0.076 9.095 7.680 1.00 24.14 C ATOM 1293 CG TRP A 82 0.930 9.177 6.557 1.00 64.31 C ATOM 1294 CD1 TRP A 82 2.142 9.809 6.567 1.00 62.01 C ATOM 1295 CD2 TRP A 82 0.790 8.588 5.251 1.00 75.34 C ATOM 1296 NE1 TRP A 82 2.768 9.640 5.356 1.00 1.12 N ATOM 1297 CE2 TRP A 82 1.953 8.901 4.531 1.00 21.15 C ATOM 1298 CE3 TRP A 82 -0.210 7.823 4.623 1.00 54.24 C ATOM 1299 CZ2 TRP A 82 2.143 8.483 3.221 1.00 3.15 C ATOM 1300 CZ3 TRP A 82 -0.015 7.413 3.323 1.00 44.02 C ATOM 1301 CH2 TRP A 82 1.154 7.741 2.636 1.00 1.52 C ATOM 0 H TRP A 82 -0.639 11.563 7.725 1.00 21.40 H new ATOM 0 HA TRP A 82 -1.702 9.450 6.286 1.00 35.01 H new ATOM 0 HB2 TRP A 82 0.319 9.628 8.545 1.00 24.14 H new ATOM 0 HB3 TRP A 82 -0.191 8.052 7.974 1.00 24.14 H new ATOM 0 HD1 TRP A 82 2.547 10.360 7.403 1.00 62.01 H new ATOM 0 HE1 TRP A 82 3.688 10.004 5.109 1.00 1.12 H new ATOM 0 HE3 TRP A 82 -1.115 7.562 5.151 1.00 54.24 H new ATOM 0 HZ2 TRP A 82 3.043 8.736 2.681 1.00 3.15 H new ATOM 0 HZ3 TRP A 82 -0.778 6.830 2.828 1.00 44.02 H new ATOM 0 HH2 TRP A 82 1.281 7.401 1.619 1.00 1.52 H new ATOM 1312 N ASN A 83 -2.823 9.571 9.397 1.00 5.41 N ATOM 1313 CA ASN A 83 -3.752 8.970 10.389 1.00 43.14 C ATOM 1314 C ASN A 83 -5.198 8.873 9.841 1.00 50.11 C ATOM 1315 O ASN A 83 -6.005 8.101 10.361 1.00 61.33 O ATOM 1316 CB ASN A 83 -3.720 9.737 11.741 1.00 2.44 C ATOM 1317 CG ASN A 83 -2.326 9.778 12.385 1.00 61.40 C ATOM 1318 OD1 ASN A 83 -1.506 8.878 12.198 1.00 0.21 O ATOM 1319 ND2 ASN A 83 -2.053 10.818 13.155 1.00 71.03 N ATOM 0 H ASN A 83 -2.414 10.454 9.704 1.00 5.41 H new ATOM 0 HA ASN A 83 -3.402 7.954 10.573 1.00 43.14 H new ATOM 0 HB2 ASN A 83 -4.068 10.757 11.580 1.00 2.44 H new ATOM 0 HB3 ASN A 83 -4.419 9.267 12.434 1.00 2.44 H new ATOM 0 HD21 ASN A 83 -1.144 10.890 13.612 1.00 71.03 H new ATOM 0 HD22 ASN A 83 -2.752 11.549 13.292 1.00 71.03 H new ATOM 1326 N LEU A 84 -5.512 9.685 8.805 1.00 23.23 N ATOM 1327 CA LEU A 84 -6.806 9.622 8.091 1.00 4.34 C ATOM 1328 C LEU A 84 -6.850 8.377 7.181 1.00 74.12 C ATOM 1329 O LEU A 84 -7.850 7.651 7.153 1.00 33.41 O ATOM 1330 CB LEU A 84 -7.003 10.905 7.241 1.00 0.25 C ATOM 1331 CG LEU A 84 -7.139 12.236 8.041 1.00 4.35 C ATOM 1332 CD1 LEU A 84 -7.104 13.455 7.102 1.00 22.43 C ATOM 1333 CD2 LEU A 84 -8.412 12.234 8.921 1.00 35.34 C ATOM 0 H LEU A 84 -4.879 10.398 8.443 1.00 23.23 H new ATOM 0 HA LEU A 84 -7.610 9.552 8.823 1.00 4.34 H new ATOM 0 HB2 LEU A 84 -6.159 10.999 6.558 1.00 0.25 H new ATOM 0 HB3 LEU A 84 -7.896 10.779 6.629 1.00 0.25 H new ATOM 0 HG LEU A 84 -6.281 12.312 8.709 1.00 4.35 H new ATOM 0 HD11 LEU A 84 -7.201 14.369 7.688 1.00 22.43 H new ATOM 0 HD12 LEU A 84 -6.158 13.470 6.560 1.00 22.43 H new ATOM 0 HD13 LEU A 84 -7.928 13.391 6.391 1.00 22.43 H new ATOM 0 HD21 LEU A 84 -8.479 13.175 9.466 1.00 35.34 H new ATOM 0 HD22 LEU A 84 -9.292 12.118 8.288 1.00 35.34 H new ATOM 0 HD23 LEU A 84 -8.363 11.407 9.629 1.00 35.34 H new ATOM 1345 N LEU A 85 -5.746 8.143 6.448 1.00 13.33 N ATOM 1346 CA LEU A 85 -5.631 7.024 5.502 1.00 54.22 C ATOM 1347 C LEU A 85 -5.455 5.683 6.242 1.00 0.02 C ATOM 1348 O LEU A 85 -6.037 4.681 5.833 1.00 72.14 O ATOM 1349 CB LEU A 85 -4.437 7.240 4.520 1.00 23.32 C ATOM 1350 CG LEU A 85 -4.553 8.428 3.498 1.00 71.45 C ATOM 1351 CD1 LEU A 85 -4.331 9.803 4.155 1.00 13.20 C ATOM 1352 CD2 LEU A 85 -3.600 8.225 2.294 1.00 53.41 C ATOM 0 H LEU A 85 -4.910 8.726 6.497 1.00 13.33 H new ATOM 0 HA LEU A 85 -6.558 6.989 4.930 1.00 54.22 H new ATOM 0 HB2 LEU A 85 -3.535 7.392 5.113 1.00 23.32 H new ATOM 0 HB3 LEU A 85 -4.295 6.320 3.953 1.00 23.32 H new ATOM 0 HG LEU A 85 -5.579 8.421 3.129 1.00 71.45 H new ATOM 0 HD11 LEU A 85 -4.423 10.585 3.402 1.00 13.20 H new ATOM 0 HD12 LEU A 85 -5.078 9.959 4.933 1.00 13.20 H new ATOM 0 HD13 LEU A 85 -3.335 9.839 4.596 1.00 13.20 H new ATOM 0 HD21 LEU A 85 -3.702 9.062 1.604 1.00 53.41 H new ATOM 0 HD22 LEU A 85 -2.571 8.171 2.649 1.00 53.41 H new ATOM 0 HD23 LEU A 85 -3.855 7.298 1.780 1.00 53.41 H new ATOM 1364 N LYS A 86 -4.648 5.699 7.329 1.00 41.02 N ATOM 1365 CA LYS A 86 -4.215 4.497 8.076 1.00 22.42 C ATOM 1366 C LYS A 86 -5.358 3.492 8.381 1.00 14.00 C ATOM 1367 O LYS A 86 -5.175 2.332 8.053 1.00 13.00 O ATOM 1368 CB LYS A 86 -3.466 4.867 9.396 1.00 40.43 C ATOM 1369 CG LYS A 86 -2.030 5.387 9.208 1.00 12.11 C ATOM 1370 CD LYS A 86 -1.386 5.753 10.564 1.00 55.12 C ATOM 1371 CE LYS A 86 0.019 6.342 10.434 1.00 54.24 C ATOM 1372 NZ LYS A 86 0.575 6.725 11.759 1.00 2.13 N ATOM 0 H LYS A 86 -4.273 6.564 7.718 1.00 41.02 H new ATOM 0 HA LYS A 86 -3.524 3.992 7.401 1.00 22.42 H new ATOM 0 HB2 LYS A 86 -4.044 5.626 9.923 1.00 40.43 H new ATOM 0 HB3 LYS A 86 -3.436 3.986 10.037 1.00 40.43 H new ATOM 0 HG2 LYS A 86 -1.428 4.627 8.710 1.00 12.11 H new ATOM 0 HG3 LYS A 86 -2.040 6.263 8.559 1.00 12.11 H new ATOM 0 HD2 LYS A 86 -2.025 6.470 11.079 1.00 55.12 H new ATOM 0 HD3 LYS A 86 -1.341 4.861 11.188 1.00 55.12 H new ATOM 0 HE2 LYS A 86 0.677 5.614 9.959 1.00 54.24 H new ATOM 0 HE3 LYS A 86 -0.011 7.217 9.784 1.00 54.24 H new ATOM 0 HZ1 LYS A 86 1.559 7.041 11.644 1.00 2.13 H new ATOM 0 HZ2 LYS A 86 0.008 7.497 12.163 1.00 2.13 H new ATOM 0 HZ3 LYS A 86 0.548 5.904 12.397 1.00 2.13 H new ATOM 1386 N PRO A 87 -6.538 3.887 9.021 1.00 62.53 N ATOM 1387 CA PRO A 87 -7.596 2.903 9.372 1.00 4.45 C ATOM 1388 C PRO A 87 -8.134 2.167 8.132 1.00 14.51 C ATOM 1389 O PRO A 87 -8.512 1.002 8.222 1.00 54.41 O ATOM 1390 CB PRO A 87 -8.700 3.775 10.045 1.00 33.12 C ATOM 1391 CG PRO A 87 -8.423 5.177 9.582 1.00 73.02 C ATOM 1392 CD PRO A 87 -6.923 5.262 9.453 1.00 30.32 C ATOM 0 HA PRO A 87 -7.227 2.111 10.023 1.00 4.45 H new ATOM 0 HB2 PRO A 87 -9.697 3.450 9.746 1.00 33.12 H new ATOM 0 HB3 PRO A 87 -8.653 3.702 11.132 1.00 33.12 H new ATOM 0 HG2 PRO A 87 -8.912 5.381 8.630 1.00 73.02 H new ATOM 0 HG3 PRO A 87 -8.799 5.909 10.297 1.00 73.02 H new ATOM 0 HD2 PRO A 87 -6.624 6.012 8.721 1.00 30.32 H new ATOM 0 HD3 PRO A 87 -6.453 5.533 10.398 1.00 30.32 H new ATOM 1400 N ASP A 88 -8.149 2.882 6.985 1.00 53.14 N ATOM 1401 CA ASP A 88 -8.653 2.349 5.713 1.00 63.53 C ATOM 1402 C ASP A 88 -7.591 1.447 5.059 1.00 35.03 C ATOM 1403 O ASP A 88 -7.933 0.407 4.521 1.00 1.53 O ATOM 1404 CB ASP A 88 -9.075 3.503 4.758 1.00 21.34 C ATOM 1405 CG ASP A 88 -10.150 3.061 3.747 1.00 32.21 C ATOM 1406 OD1 ASP A 88 -9.809 2.537 2.672 1.00 11.15 O ATOM 1407 OD2 ASP A 88 -11.355 3.216 4.051 1.00 22.33 O ATOM 0 H ASP A 88 -7.811 3.842 6.922 1.00 53.14 H new ATOM 0 HA ASP A 88 -9.539 1.746 5.913 1.00 63.53 H new ATOM 0 HB2 ASP A 88 -9.454 4.338 5.347 1.00 21.34 H new ATOM 0 HB3 ASP A 88 -8.199 3.864 4.219 1.00 21.34 H new ATOM 1412 N ILE A 89 -6.296 1.857 5.149 1.00 42.23 N ATOM 1413 CA ILE A 89 -5.145 1.085 4.616 1.00 33.50 C ATOM 1414 C ILE A 89 -5.014 -0.246 5.378 1.00 52.41 C ATOM 1415 O ILE A 89 -4.779 -1.297 4.778 1.00 64.32 O ATOM 1416 CB ILE A 89 -3.781 1.901 4.697 1.00 71.21 C ATOM 1417 CG1 ILE A 89 -3.847 3.183 3.795 1.00 34.41 C ATOM 1418 CG2 ILE A 89 -2.552 1.021 4.319 1.00 54.43 C ATOM 1419 CD1 ILE A 89 -2.597 4.055 3.797 1.00 70.24 C ATOM 0 H ILE A 89 -6.024 2.733 5.594 1.00 42.23 H new ATOM 0 HA ILE A 89 -5.340 0.889 3.562 1.00 33.50 H new ATOM 0 HB ILE A 89 -3.649 2.212 5.733 1.00 71.21 H new ATOM 0 HG12 ILE A 89 -4.051 2.874 2.770 1.00 34.41 H new ATOM 0 HG13 ILE A 89 -4.692 3.790 4.119 1.00 34.41 H new ATOM 0 HG21 ILE A 89 -1.642 1.618 4.388 1.00 54.43 H new ATOM 0 HG22 ILE A 89 -2.485 0.176 5.005 1.00 54.43 H new ATOM 0 HG23 ILE A 89 -2.668 0.652 3.300 1.00 54.43 H new ATOM 0 HD11 ILE A 89 -2.750 4.912 3.142 1.00 70.24 H new ATOM 0 HD12 ILE A 89 -2.398 4.404 4.810 1.00 70.24 H new ATOM 0 HD13 ILE A 89 -1.747 3.473 3.440 1.00 70.24 H new ATOM 1431 N TYR A 90 -5.207 -0.172 6.709 1.00 22.21 N ATOM 1432 CA TYR A 90 -5.165 -1.332 7.597 1.00 15.22 C ATOM 1433 C TYR A 90 -6.323 -2.264 7.263 1.00 61.14 C ATOM 1434 O TYR A 90 -6.109 -3.446 7.043 1.00 15.53 O ATOM 1435 CB TYR A 90 -5.198 -0.918 9.098 1.00 33.14 C ATOM 1436 CG TYR A 90 -4.014 -0.052 9.569 1.00 43.25 C ATOM 1437 CD1 TYR A 90 -2.806 0.010 8.856 1.00 33.41 C ATOM 1438 CD2 TYR A 90 -4.115 0.719 10.730 1.00 75.45 C ATOM 1439 CE1 TYR A 90 -1.760 0.800 9.285 1.00 50.33 C ATOM 1440 CE2 TYR A 90 -3.069 1.513 11.160 1.00 32.34 C ATOM 1441 CZ TYR A 90 -1.892 1.548 10.432 1.00 3.42 C ATOM 1442 OH TYR A 90 -0.844 2.339 10.852 1.00 61.41 O ATOM 0 H TYR A 90 -5.397 0.705 7.194 1.00 22.21 H new ATOM 0 HA TYR A 90 -4.221 -1.854 7.437 1.00 15.22 H new ATOM 0 HB2 TYR A 90 -6.123 -0.373 9.287 1.00 33.14 H new ATOM 0 HB3 TYR A 90 -5.230 -1.822 9.706 1.00 33.14 H new ATOM 0 HD1 TYR A 90 -2.694 -0.573 7.954 1.00 33.41 H new ATOM 0 HD2 TYR A 90 -5.030 0.694 11.303 1.00 75.45 H new ATOM 0 HE1 TYR A 90 -0.839 0.831 8.722 1.00 50.33 H new ATOM 0 HE2 TYR A 90 -3.169 2.103 12.059 1.00 32.34 H new ATOM 0 HH TYR A 90 -0.328 2.638 10.074 1.00 61.41 H new ATOM 1452 N ALA A 91 -7.544 -1.696 7.180 1.00 64.42 N ATOM 1453 CA ALA A 91 -8.765 -2.448 6.845 1.00 70.12 C ATOM 1454 C ALA A 91 -8.617 -3.183 5.495 1.00 11.24 C ATOM 1455 O ALA A 91 -9.007 -4.339 5.381 1.00 5.43 O ATOM 1456 CB ALA A 91 -9.979 -1.509 6.820 1.00 70.31 C ATOM 0 H ALA A 91 -7.708 -0.703 7.344 1.00 64.42 H new ATOM 0 HA ALA A 91 -8.921 -3.201 7.617 1.00 70.12 H new ATOM 0 HB1 ALA A 91 -10.874 -2.079 6.571 1.00 70.31 H new ATOM 0 HB2 ALA A 91 -10.103 -1.048 7.800 1.00 70.31 H new ATOM 0 HB3 ALA A 91 -9.823 -0.732 6.071 1.00 70.31 H new ATOM 1462 N THR A 92 -8.011 -2.487 4.508 1.00 22.12 N ATOM 1463 CA THR A 92 -7.733 -3.022 3.165 1.00 3.11 C ATOM 1464 C THR A 92 -6.855 -4.291 3.238 1.00 41.23 C ATOM 1465 O THR A 92 -7.275 -5.368 2.811 1.00 5.32 O ATOM 1466 CB THR A 92 -7.014 -1.943 2.271 1.00 45.31 C ATOM 1467 OG1 THR A 92 -7.827 -0.782 2.150 1.00 2.12 O ATOM 1468 CG2 THR A 92 -6.707 -2.463 0.870 1.00 52.35 C ATOM 0 H THR A 92 -7.698 -1.524 4.628 1.00 22.12 H new ATOM 0 HA THR A 92 -8.691 -3.282 2.716 1.00 3.11 H new ATOM 0 HB THR A 92 -6.073 -1.704 2.767 1.00 45.31 H new ATOM 0 HG1 THR A 92 -7.766 -0.252 2.972 1.00 2.12 H new ATOM 0 HG21 THR A 92 -6.212 -1.682 0.293 1.00 52.35 H new ATOM 0 HG22 THR A 92 -6.054 -3.333 0.940 1.00 52.35 H new ATOM 0 HG23 THR A 92 -7.636 -2.746 0.375 1.00 52.35 H new ATOM 1476 N ILE A 93 -5.656 -4.129 3.835 1.00 75.10 N ATOM 1477 CA ILE A 93 -4.594 -5.154 3.838 1.00 72.55 C ATOM 1478 C ILE A 93 -4.965 -6.347 4.753 1.00 61.04 C ATOM 1479 O ILE A 93 -4.758 -7.506 4.373 1.00 12.34 O ATOM 1480 CB ILE A 93 -3.214 -4.532 4.271 1.00 13.12 C ATOM 1481 CG1 ILE A 93 -2.787 -3.373 3.305 1.00 62.45 C ATOM 1482 CG2 ILE A 93 -2.108 -5.614 4.352 1.00 1.10 C ATOM 1483 CD1 ILE A 93 -1.511 -2.638 3.712 1.00 53.00 C ATOM 0 H ILE A 93 -5.397 -3.277 4.332 1.00 75.10 H new ATOM 0 HA ILE A 93 -4.497 -5.530 2.820 1.00 72.55 H new ATOM 0 HB ILE A 93 -3.344 -4.111 5.268 1.00 13.12 H new ATOM 0 HG12 ILE A 93 -2.649 -3.784 2.305 1.00 62.45 H new ATOM 0 HG13 ILE A 93 -3.602 -2.651 3.244 1.00 62.45 H new ATOM 0 HG21 ILE A 93 -1.168 -5.152 4.653 1.00 1.10 H new ATOM 0 HG22 ILE A 93 -2.392 -6.370 5.084 1.00 1.10 H new ATOM 0 HG23 ILE A 93 -1.985 -6.083 3.376 1.00 1.10 H new ATOM 0 HD11 ILE A 93 -1.295 -1.855 2.986 1.00 53.00 H new ATOM 0 HD12 ILE A 93 -1.647 -2.192 4.697 1.00 53.00 H new ATOM 0 HD13 ILE A 93 -0.680 -3.342 3.744 1.00 53.00 H new ATOM 1495 N MET A 94 -5.505 -6.051 5.953 1.00 70.34 N ATOM 1496 CA MET A 94 -5.924 -7.087 6.921 1.00 22.34 C ATOM 1497 C MET A 94 -7.037 -7.967 6.315 1.00 14.42 C ATOM 1498 O MET A 94 -6.958 -9.188 6.399 1.00 51.50 O ATOM 1499 CB MET A 94 -6.401 -6.469 8.269 1.00 0.14 C ATOM 1500 CG MET A 94 -5.322 -5.709 9.061 1.00 41.01 C ATOM 1501 SD MET A 94 -5.904 -5.120 10.674 1.00 40.12 S ATOM 1502 CE MET A 94 -7.316 -4.099 10.245 1.00 63.32 C ATOM 0 H MET A 94 -5.662 -5.097 6.277 1.00 70.34 H new ATOM 0 HA MET A 94 -5.052 -7.705 7.134 1.00 22.34 H new ATOM 0 HB2 MET A 94 -7.227 -5.787 8.065 1.00 0.14 H new ATOM 0 HB3 MET A 94 -6.795 -7.268 8.897 1.00 0.14 H new ATOM 0 HG2 MET A 94 -4.461 -6.361 9.208 1.00 41.01 H new ATOM 0 HG3 MET A 94 -4.980 -4.858 8.472 1.00 41.01 H new ATOM 0 HE1 MET A 94 -7.237 -3.138 10.752 1.00 63.32 H new ATOM 0 HE2 MET A 94 -7.336 -3.940 9.167 1.00 63.32 H new ATOM 0 HE3 MET A 94 -8.234 -4.599 10.555 1.00 63.32 H new ATOM 1512 N ASP A 95 -8.062 -7.313 5.701 1.00 44.05 N ATOM 1513 CA ASP A 95 -9.197 -8.001 5.036 1.00 2.25 C ATOM 1514 C ASP A 95 -8.722 -8.824 3.823 1.00 62.25 C ATOM 1515 O ASP A 95 -9.264 -9.900 3.550 1.00 43.42 O ATOM 1516 CB ASP A 95 -10.269 -6.961 4.596 1.00 52.41 C ATOM 1517 CG ASP A 95 -11.626 -7.588 4.229 1.00 54.44 C ATOM 1518 OD1 ASP A 95 -12.434 -7.831 5.147 1.00 62.53 O ATOM 1519 OD2 ASP A 95 -11.900 -7.820 3.031 1.00 31.21 O ATOM 0 H ASP A 95 -8.121 -6.296 5.655 1.00 44.05 H new ATOM 0 HA ASP A 95 -9.641 -8.691 5.754 1.00 2.25 H new ATOM 0 HB2 ASP A 95 -10.417 -6.242 5.402 1.00 52.41 H new ATOM 0 HB3 ASP A 95 -9.892 -6.405 3.738 1.00 52.41 H new ATOM 1524 N PHE A 96 -7.706 -8.286 3.119 1.00 25.12 N ATOM 1525 CA PHE A 96 -7.109 -8.903 1.918 1.00 62.43 C ATOM 1526 C PHE A 96 -6.494 -10.271 2.259 1.00 21.41 C ATOM 1527 O PHE A 96 -6.801 -11.279 1.617 1.00 0.21 O ATOM 1528 CB PHE A 96 -6.030 -7.955 1.320 1.00 22.42 C ATOM 1529 CG PHE A 96 -5.513 -8.365 -0.054 1.00 61.41 C ATOM 1530 CD1 PHE A 96 -6.178 -7.950 -1.206 1.00 70.32 C ATOM 1531 CD2 PHE A 96 -4.376 -9.160 -0.199 1.00 12.05 C ATOM 1532 CE1 PHE A 96 -5.729 -8.311 -2.454 1.00 0.34 C ATOM 1533 CE2 PHE A 96 -3.930 -9.521 -1.451 1.00 25.42 C ATOM 1534 CZ PHE A 96 -4.606 -9.096 -2.578 1.00 4.41 C ATOM 0 H PHE A 96 -7.271 -7.399 3.372 1.00 25.12 H new ATOM 0 HA PHE A 96 -7.893 -9.060 1.177 1.00 62.43 H new ATOM 0 HB2 PHE A 96 -6.447 -6.950 1.251 1.00 22.42 H new ATOM 0 HB3 PHE A 96 -5.188 -7.904 2.010 1.00 22.42 H new ATOM 0 HD1 PHE A 96 -7.061 -7.334 -1.117 1.00 70.32 H new ATOM 0 HD2 PHE A 96 -3.841 -9.495 0.677 1.00 12.05 H new ATOM 0 HE1 PHE A 96 -6.257 -7.979 -3.336 1.00 0.34 H new ATOM 0 HE2 PHE A 96 -3.049 -10.138 -1.552 1.00 25.42 H new ATOM 0 HZ PHE A 96 -4.252 -9.380 -3.558 1.00 4.41 H new ATOM 1544 N PHE A 97 -5.624 -10.273 3.289 1.00 43.24 N ATOM 1545 CA PHE A 97 -4.939 -11.488 3.776 1.00 73.41 C ATOM 1546 C PHE A 97 -5.922 -12.417 4.516 1.00 44.50 C ATOM 1547 O PHE A 97 -5.762 -13.644 4.487 1.00 2.04 O ATOM 1548 CB PHE A 97 -3.724 -11.118 4.676 1.00 5.34 C ATOM 1549 CG PHE A 97 -2.468 -10.700 3.901 1.00 33.34 C ATOM 1550 CD1 PHE A 97 -1.553 -11.666 3.469 1.00 40.51 C ATOM 1551 CD2 PHE A 97 -2.194 -9.361 3.609 1.00 2.52 C ATOM 1552 CE1 PHE A 97 -0.412 -11.309 2.777 1.00 24.22 C ATOM 1553 CE2 PHE A 97 -1.049 -9.006 2.915 1.00 61.43 C ATOM 1554 CZ PHE A 97 -0.160 -9.981 2.501 1.00 23.41 C ATOM 0 H PHE A 97 -5.376 -9.431 3.808 1.00 43.24 H new ATOM 0 HA PHE A 97 -4.558 -12.031 2.911 1.00 73.41 H new ATOM 0 HB2 PHE A 97 -4.014 -10.304 5.341 1.00 5.34 H new ATOM 0 HB3 PHE A 97 -3.480 -11.973 5.306 1.00 5.34 H new ATOM 0 HD1 PHE A 97 -1.742 -12.708 3.680 1.00 40.51 H new ATOM 0 HD2 PHE A 97 -2.884 -8.594 3.928 1.00 2.52 H new ATOM 0 HE1 PHE A 97 0.283 -12.069 2.452 1.00 24.22 H new ATOM 0 HE2 PHE A 97 -0.850 -7.967 2.697 1.00 61.43 H new ATOM 0 HZ PHE A 97 0.733 -9.702 1.961 1.00 23.41 H new ATOM 1564 N ALA A 98 -6.945 -11.817 5.160 1.00 24.14 N ATOM 1565 CA ALA A 98 -8.023 -12.559 5.849 1.00 54.10 C ATOM 1566 C ALA A 98 -8.834 -13.403 4.857 1.00 5.13 C ATOM 1567 O ALA A 98 -9.215 -14.539 5.159 1.00 74.35 O ATOM 1568 CB ALA A 98 -8.946 -11.589 6.597 1.00 41.32 C ATOM 0 H ALA A 98 -7.047 -10.804 5.217 1.00 24.14 H new ATOM 0 HA ALA A 98 -7.560 -13.233 6.570 1.00 54.10 H new ATOM 0 HB1 ALA A 98 -9.734 -12.151 7.099 1.00 41.32 H new ATOM 0 HB2 ALA A 98 -8.368 -11.034 7.337 1.00 41.32 H new ATOM 0 HB3 ALA A 98 -9.392 -10.892 5.888 1.00 41.32 H new ATOM 1574 N SER A 99 -9.090 -12.831 3.672 1.00 41.43 N ATOM 1575 CA SER A 99 -9.789 -13.523 2.581 1.00 65.14 C ATOM 1576 C SER A 99 -8.795 -14.400 1.790 1.00 31.42 C ATOM 1577 O SER A 99 -9.205 -15.317 1.070 1.00 75.41 O ATOM 1578 CB SER A 99 -10.456 -12.492 1.653 1.00 63.11 C ATOM 1579 OG SER A 99 -11.305 -11.623 2.384 1.00 21.40 O ATOM 0 H SER A 99 -8.818 -11.875 3.443 1.00 41.43 H new ATOM 0 HA SER A 99 -10.561 -14.168 3.000 1.00 65.14 H new ATOM 0 HB2 SER A 99 -9.690 -11.911 1.140 1.00 63.11 H new ATOM 0 HB3 SER A 99 -11.032 -13.008 0.885 1.00 63.11 H new ATOM 0 HG SER A 99 -10.762 -10.967 2.869 1.00 21.40 H new ATOM 1585 N GLY A 100 -7.488 -14.087 1.940 1.00 33.03 N ATOM 1586 CA GLY A 100 -6.409 -14.810 1.276 1.00 34.11 C ATOM 1587 C GLY A 100 -6.396 -14.579 -0.224 1.00 34.32 C ATOM 1588 O GLY A 100 -6.120 -15.504 -0.994 1.00 35.13 O ATOM 0 H GLY A 100 -7.163 -13.321 2.530 1.00 33.03 H new ATOM 0 HA2 GLY A 100 -5.453 -14.498 1.697 1.00 34.11 H new ATOM 0 HA3 GLY A 100 -6.513 -15.876 1.476 1.00 34.11 H new ATOM 1592 N LEU A 101 -6.717 -13.332 -0.639 1.00 14.40 N ATOM 1593 CA LEU A 101 -6.793 -12.942 -2.066 1.00 62.44 C ATOM 1594 C LEU A 101 -5.396 -13.021 -2.738 1.00 71.12 C ATOM 1595 O LEU A 101 -4.375 -12.849 -2.050 1.00 2.05 O ATOM 1596 CB LEU A 101 -7.362 -11.499 -2.219 1.00 74.13 C ATOM 1597 CG LEU A 101 -8.789 -11.210 -1.652 1.00 41.02 C ATOM 1598 CD1 LEU A 101 -9.264 -9.788 -2.030 1.00 11.04 C ATOM 1599 CD2 LEU A 101 -9.811 -12.270 -2.103 1.00 50.44 C ATOM 0 H LEU A 101 -6.930 -12.570 0.004 1.00 14.40 H new ATOM 0 HA LEU A 101 -7.465 -13.643 -2.561 1.00 62.44 H new ATOM 0 HB2 LEU A 101 -6.666 -10.813 -1.737 1.00 74.13 H new ATOM 0 HB3 LEU A 101 -7.368 -11.253 -3.281 1.00 74.13 H new ATOM 0 HG LEU A 101 -8.720 -11.266 -0.566 1.00 41.02 H new ATOM 0 HD11 LEU A 101 -10.260 -9.616 -1.621 1.00 11.04 H new ATOM 0 HD12 LEU A 101 -8.572 -9.052 -1.620 1.00 11.04 H new ATOM 0 HD13 LEU A 101 -9.295 -9.691 -3.115 1.00 11.04 H new ATOM 0 HD21 LEU A 101 -10.790 -12.032 -1.687 1.00 50.44 H new ATOM 0 HD22 LEU A 101 -9.871 -12.277 -3.191 1.00 50.44 H new ATOM 0 HD23 LEU A 101 -9.496 -13.252 -1.750 1.00 50.44 H new ATOM 1611 N PRO A 102 -5.322 -13.286 -4.090 1.00 44.04 N ATOM 1612 CA PRO A 102 -4.040 -13.262 -4.837 1.00 63.55 C ATOM 1613 C PRO A 102 -3.441 -11.841 -4.835 1.00 20.03 C ATOM 1614 O PRO A 102 -4.052 -10.903 -5.367 1.00 5.23 O ATOM 1615 CB PRO A 102 -4.433 -13.723 -6.270 1.00 11.22 C ATOM 1616 CG PRO A 102 -5.906 -13.424 -6.376 1.00 54.21 C ATOM 1617 CD PRO A 102 -6.468 -13.630 -4.983 1.00 1.44 C ATOM 0 HA PRO A 102 -3.274 -13.902 -4.399 1.00 63.55 H new ATOM 0 HB2 PRO A 102 -3.864 -13.186 -7.029 1.00 11.22 H new ATOM 0 HB3 PRO A 102 -4.233 -14.785 -6.413 1.00 11.22 H new ATOM 0 HG2 PRO A 102 -6.075 -12.403 -6.719 1.00 54.21 H new ATOM 0 HG3 PRO A 102 -6.389 -14.086 -7.095 1.00 54.21 H new ATOM 0 HD2 PRO A 102 -7.328 -12.986 -4.798 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -6.800 -14.657 -4.832 1.00 1.44 H new ATOM 1625 N LEU A 103 -2.276 -11.703 -4.171 1.00 64.02 N ATOM 1626 CA LEU A 103 -1.546 -10.431 -4.013 1.00 61.33 C ATOM 1627 C LEU A 103 -1.310 -9.771 -5.387 1.00 55.55 C ATOM 1628 O LEU A 103 -1.621 -8.593 -5.577 1.00 24.24 O ATOM 1629 CB LEU A 103 -0.216 -10.692 -3.221 1.00 51.10 C ATOM 1630 CG LEU A 103 0.509 -9.458 -2.577 1.00 51.10 C ATOM 1631 CD1 LEU A 103 1.250 -8.579 -3.607 1.00 31.03 C ATOM 1632 CD2 LEU A 103 -0.472 -8.625 -1.727 1.00 44.24 C ATOM 0 H LEU A 103 -1.807 -12.489 -3.721 1.00 64.02 H new ATOM 0 HA LEU A 103 -2.140 -9.725 -3.433 1.00 61.33 H new ATOM 0 HB2 LEU A 103 -0.435 -11.404 -2.425 1.00 51.10 H new ATOM 0 HB3 LEU A 103 0.487 -11.177 -3.898 1.00 51.10 H new ATOM 0 HG LEU A 103 1.280 -9.861 -1.920 1.00 51.10 H new ATOM 0 HD11 LEU A 103 1.729 -7.744 -3.095 1.00 31.03 H new ATOM 0 HD12 LEU A 103 2.007 -9.175 -4.116 1.00 31.03 H new ATOM 0 HD13 LEU A 103 0.538 -8.196 -4.338 1.00 31.03 H new ATOM 0 HD21 LEU A 103 0.054 -7.776 -1.292 1.00 44.24 H new ATOM 0 HD22 LEU A 103 -1.284 -8.264 -2.358 1.00 44.24 H new ATOM 0 HD23 LEU A 103 -0.881 -9.246 -0.930 1.00 44.24 H new ATOM 1644 N VAL A 104 -0.771 -10.555 -6.328 1.00 24.32 N ATOM 1645 CA VAL A 104 -0.607 -10.161 -7.733 1.00 3.43 C ATOM 1646 C VAL A 104 -1.266 -11.235 -8.615 1.00 42.03 C ATOM 1647 O VAL A 104 -1.066 -12.441 -8.400 1.00 74.04 O ATOM 1648 CB VAL A 104 0.904 -9.994 -8.130 1.00 23.32 C ATOM 1649 CG1 VAL A 104 1.059 -9.649 -9.630 1.00 75.05 C ATOM 1650 CG2 VAL A 104 1.600 -8.923 -7.251 1.00 74.54 C ATOM 0 H VAL A 104 -0.431 -11.496 -6.132 1.00 24.32 H new ATOM 0 HA VAL A 104 -1.082 -9.191 -7.880 1.00 3.43 H new ATOM 0 HB VAL A 104 1.393 -10.952 -7.952 1.00 23.32 H new ATOM 0 HG11 VAL A 104 2.116 -9.540 -9.871 1.00 75.05 H new ATOM 0 HG12 VAL A 104 0.630 -10.449 -10.234 1.00 75.05 H new ATOM 0 HG13 VAL A 104 0.540 -8.714 -9.844 1.00 75.05 H new ATOM 0 HG21 VAL A 104 2.644 -8.830 -7.549 1.00 74.54 H new ATOM 0 HG22 VAL A 104 1.099 -7.964 -7.381 1.00 74.54 H new ATOM 0 HG23 VAL A 104 1.547 -9.221 -6.204 1.00 74.54 H new ATOM 1660 N THR A 105 -2.074 -10.779 -9.579 1.00 31.23 N ATOM 1661 CA THR A 105 -2.751 -11.631 -10.558 1.00 45.22 C ATOM 1662 C THR A 105 -1.925 -11.717 -11.857 1.00 43.23 C ATOM 1663 O THR A 105 -1.438 -12.797 -12.213 1.00 64.34 O ATOM 1664 CB THR A 105 -4.195 -11.097 -10.846 1.00 21.45 C ATOM 1665 OG1 THR A 105 -4.153 -9.716 -11.263 1.00 14.52 O ATOM 1666 CG2 THR A 105 -5.097 -11.231 -9.604 1.00 14.13 C ATOM 0 H THR A 105 -2.278 -9.787 -9.701 1.00 31.23 H new ATOM 0 HA THR A 105 -2.839 -12.635 -10.144 1.00 45.22 H new ATOM 0 HB THR A 105 -4.614 -11.703 -11.649 1.00 21.45 H new ATOM 0 HG1 THR A 105 -5.064 -9.400 -11.440 1.00 14.52 H new ATOM 0 HG21 THR A 105 -6.093 -10.852 -9.835 1.00 14.13 H new ATOM 0 HG22 THR A 105 -5.166 -12.280 -9.316 1.00 14.13 H new ATOM 0 HG23 THR A 105 -4.672 -10.656 -8.782 1.00 14.13 H new ATOM 1674 N GLU A 106 -1.736 -10.566 -12.540 1.00 43.11 N ATOM 1675 CA GLU A 106 -1.123 -10.531 -13.883 1.00 32.13 C ATOM 1676 C GLU A 106 0.404 -10.349 -13.816 1.00 14.13 C ATOM 1677 O GLU A 106 0.896 -9.283 -13.436 1.00 30.44 O ATOM 1678 CB GLU A 106 -1.783 -9.423 -14.750 1.00 74.24 C ATOM 1679 CG GLU A 106 -3.278 -9.678 -15.026 1.00 31.21 C ATOM 1680 CD GLU A 106 -3.898 -8.754 -16.085 1.00 31.35 C ATOM 1681 OE1 GLU A 106 -3.521 -8.868 -17.272 1.00 35.44 O ATOM 1682 OE2 GLU A 106 -4.788 -7.947 -15.754 1.00 41.53 O ATOM 0 H GLU A 106 -2.000 -9.649 -12.181 1.00 43.11 H new ATOM 0 HA GLU A 106 -1.305 -11.496 -14.355 1.00 32.13 H new ATOM 0 HB2 GLU A 106 -1.672 -8.462 -14.247 1.00 74.24 H new ATOM 0 HB3 GLU A 106 -1.252 -9.349 -15.699 1.00 74.24 H new ATOM 0 HG2 GLU A 106 -3.404 -10.712 -15.346 1.00 31.21 H new ATOM 0 HG3 GLU A 106 -3.831 -9.563 -14.094 1.00 31.21 H new ATOM 1689 N GLU A 107 1.132 -11.429 -14.162 1.00 72.11 N ATOM 1690 CA GLU A 107 2.593 -11.431 -14.340 1.00 5.05 C ATOM 1691 C GLU A 107 2.940 -11.139 -15.822 1.00 0.05 C ATOM 1692 O GLU A 107 2.654 -11.994 -16.687 1.00 41.43 O ATOM 1693 CB GLU A 107 3.177 -12.802 -13.882 1.00 31.13 C ATOM 1694 CG GLU A 107 3.153 -13.033 -12.355 1.00 74.43 C ATOM 1695 CD GLU A 107 4.136 -12.113 -11.608 1.00 33.24 C ATOM 1696 OE1 GLU A 107 5.335 -12.457 -11.531 1.00 63.32 O ATOM 1697 OE2 GLU A 107 3.736 -11.037 -11.118 1.00 1.52 O ATOM 1698 OXT GLU A 107 3.482 -10.062 -16.118 1.00 37.84 O ATOM 0 H GLU A 107 0.709 -12.342 -14.328 1.00 72.11 H new ATOM 0 HA GLU A 107 3.040 -10.649 -13.726 1.00 5.05 H new ATOM 0 HB2 GLU A 107 2.616 -13.601 -14.366 1.00 31.13 H new ATOM 0 HB3 GLU A 107 4.207 -12.879 -14.232 1.00 31.13 H new ATOM 0 HG2 GLU A 107 2.144 -12.863 -11.980 1.00 74.43 H new ATOM 0 HG3 GLU A 107 3.401 -14.073 -12.143 1.00 74.43 H new TER 1705 GLU A 107