USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 110:sc= 0.578 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0125 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -149:sc= 1.8 (180deg=-0.14) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.703 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0662 (180deg=-0.653) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.1 (180deg=0.903) USER MOD Single : A 2 GLN : amide:sc=-0.00406 X(o=-0.0041,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 1.15 (180deg=-1.21!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0917 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 2.12 (180deg=2.11) USER MOD Single : A 29 LYS NZ :NH3+ -95:sc= 1.15 (180deg=0.14) USER MOD Single : A 31 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0997 K(o=-0.1,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 2 K(o=2,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.094) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.818 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0241) USER MOD Single : A 65 SER OG : rot 173:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.734 K(o=0.73,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.897 -6.527 -4.526 1.00 9.67 N ATOM 2 CA MET A 1 11.672 -6.844 -3.080 1.00 10.38 C ATOM 3 C MET A 1 10.229 -7.205 -2.764 1.00 9.62 C ATOM 4 O MET A 1 9.365 -6.677 -3.457 1.00 9.62 O ATOM 5 CB MET A 1 12.233 -5.713 -2.155 1.00 13.77 C ATOM 6 CG MET A 1 11.393 -4.496 -2.240 1.00 16.29 C ATOM 7 SD MET A 1 12.044 -3.026 -1.335 1.00 17.17 S ATOM 8 CE MET A 1 10.385 -2.458 -0.918 1.00 16.11 C ATOM 0 H1 MET A 1 12.807 -6.035 -4.636 1.00 9.67 H new ATOM 0 H2 MET A 1 11.911 -7.409 -5.077 1.00 9.67 H new ATOM 0 H3 MET A 1 11.129 -5.916 -4.871 1.00 9.67 H new ATOM 0 HA MET A 1 12.243 -7.747 -2.864 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.268 -6.065 -1.124 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.256 -5.475 -2.445 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.271 -4.231 -3.290 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.401 -4.731 -1.853 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.404 -1.384 -0.735 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.708 -2.674 -1.745 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.039 -2.973 -0.022 1.00 16.11 H new ATOM 20 N GLN A 2 9.991 -8.113 -1.824 1.00 9.27 N ATOM 21 CA GLN A 2 8.652 -8.498 -1.363 1.00 9.07 C ATOM 22 C GLN A 2 8.145 -7.719 -0.156 1.00 8.72 C ATOM 23 O GLN A 2 8.723 -7.660 0.927 1.00 8.22 O ATOM 24 CB GLN A 2 8.736 -10.017 -1.054 1.00 14.46 C ATOM 25 CG GLN A 2 7.519 -10.674 -0.412 1.00 17.01 C ATOM 26 CD GLN A 2 7.663 -12.158 -0.329 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.153 -12.694 0.658 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.217 -12.897 -1.378 1.00 19.49 N ATOM 0 H GLN A 2 10.738 -8.617 -1.347 1.00 9.27 H new ATOM 0 HA GLN A 2 7.925 -8.263 -2.140 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.946 -10.539 -1.988 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.591 -10.180 -0.398 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.373 -10.267 0.589 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.628 -10.428 -0.989 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.812 -12.435 -2.192 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.287 -13.914 -1.352 1.00 19.49 H new ATOM 37 N ILE A 3 7.013 -7.030 -0.311 1.00 5.87 N ATOM 38 CA ILE A 3 6.303 -6.370 0.737 1.00 5.07 C ATOM 39 C ILE A 3 4.980 -7.087 1.024 1.00 4.01 C ATOM 40 O ILE A 3 4.515 -7.992 0.284 1.00 4.61 O ATOM 41 CB ILE A 3 6.194 -4.903 0.725 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.406 -4.301 -0.449 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.658 -4.266 0.762 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.863 -2.932 -0.147 1.00 10.83 C ATOM 0 H ILE A 3 6.562 -6.924 -1.220 1.00 5.87 H new ATOM 0 HA ILE A 3 6.978 -6.472 1.587 1.00 5.07 H new ATOM 0 HB ILE A 3 5.614 -4.652 1.613 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.053 -4.245 -1.324 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.581 -4.966 -0.705 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.582 -3.179 0.753 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.171 -4.587 1.668 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.221 -4.597 -0.110 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.316 -2.558 -1.013 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.192 -2.988 0.710 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.687 -2.256 0.081 1.00 10.83 H new ATOM 56 N PHE A 4 4.402 -6.788 2.202 1.00 4.55 N ATOM 57 CA PHE A 4 3.227 -7.407 2.568 1.00 4.68 C ATOM 58 C PHE A 4 2.294 -6.236 2.900 1.00 5.30 C ATOM 59 O PHE A 4 2.747 -5.166 3.337 1.00 5.58 O ATOM 60 CB PHE A 4 3.603 -8.215 3.872 1.00 4.83 C ATOM 61 CG PHE A 4 4.672 -9.265 3.662 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.416 -10.302 2.724 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.903 -9.185 4.270 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.344 -11.291 2.550 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.861 -10.219 4.161 1.00 10.61 C ATOM 66 CZ PHE A 4 6.552 -11.318 3.350 1.00 8.90 C ATOM 0 H PHE A 4 4.769 -6.117 2.877 1.00 4.55 H new ATOM 0 HA PHE A 4 2.770 -8.070 1.834 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.942 -7.515 4.635 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.706 -8.698 4.259 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.498 -10.309 2.155 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.145 -8.306 4.848 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.175 -12.059 1.810 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.802 -10.163 4.687 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.207 -12.176 3.321 1.00 8.90 H new ATOM 76 N VAL A 5 0.984 -6.424 2.705 1.00 4.44 N ATOM 77 CA VAL A 5 -0.018 -5.478 3.159 1.00 3.87 C ATOM 78 C VAL A 5 -1.043 -6.385 3.801 1.00 4.93 C ATOM 79 O VAL A 5 -1.407 -7.442 3.280 1.00 6.84 O ATOM 80 CB VAL A 5 -0.715 -4.622 2.103 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.975 -3.845 2.583 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.219 -3.507 1.627 1.00 9.13 C ATOM 0 H VAL A 5 0.598 -7.238 2.227 1.00 4.44 H new ATOM 0 HA VAL A 5 0.463 -4.728 3.787 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.997 -5.355 1.347 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.387 -3.272 1.752 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.723 -4.551 2.943 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.698 -3.166 3.390 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.289 -2.904 0.875 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.494 -2.877 2.473 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.118 -3.946 1.194 1.00 9.13 H new ATOM 92 N LYS A 6 -1.437 -6.014 4.993 1.00 6.04 N ATOM 93 CA LYS A 6 -2.465 -6.671 5.823 1.00 6.12 C ATOM 94 C LYS A 6 -3.777 -5.840 5.783 1.00 6.57 C ATOM 95 O LYS A 6 -3.824 -4.636 6.096 1.00 5.76 O ATOM 96 CB LYS A 6 -2.027 -6.783 7.268 1.00 7.45 C ATOM 97 CG LYS A 6 -1.317 -8.125 7.644 1.00 11.12 C ATOM 98 CD LYS A 6 -1.125 -8.255 9.149 1.00 14.54 C ATOM 99 CE LYS A 6 -0.600 -9.632 9.621 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.600 -10.683 9.197 1.00 20.55 N ATOM 0 H LYS A 6 -1.036 -5.198 5.455 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.621 -7.671 5.419 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.351 -5.957 7.492 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.902 -6.661 7.907 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.908 -8.965 7.278 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.348 -8.176 7.147 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.429 -7.484 9.480 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.077 -8.057 9.641 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.377 -9.837 9.184 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.473 -9.641 10.704 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.595 -11.464 9.883 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.550 -10.262 9.158 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.344 -11.047 8.257 1.00 20.55 H new ATOM 114 N THR A 7 -4.892 -6.551 5.435 1.00 7.41 N ATOM 115 CA THR A 7 -6.231 -6.091 5.320 1.00 7.48 C ATOM 116 C THR A 7 -6.794 -5.507 6.595 1.00 8.75 C ATOM 117 O THR A 7 -6.213 -5.555 7.675 1.00 8.58 O ATOM 118 CB THR A 7 -7.236 -7.091 4.643 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.427 -8.284 5.402 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.619 -7.491 3.277 1.00 9.17 C ATOM 0 H THR A 7 -4.824 -7.545 5.217 1.00 7.41 H new ATOM 0 HA THR A 7 -6.131 -5.268 4.612 1.00 7.48 H new ATOM 0 HB THR A 7 -8.205 -6.600 4.555 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.331 -8.290 5.780 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.284 -8.188 2.767 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.487 -6.600 2.663 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.652 -7.966 3.440 1.00 9.17 H new ATOM 128 N LEU A 8 -8.093 -5.006 6.518 1.00 9.84 N ATOM 129 CA LEU A 8 -8.752 -4.456 7.658 1.00 14.15 C ATOM 130 C LEU A 8 -8.956 -5.521 8.736 1.00 17.37 C ATOM 131 O LEU A 8 -8.875 -5.329 9.925 1.00 17.01 O ATOM 132 CB LEU A 8 -10.113 -3.876 7.253 1.00 16.63 C ATOM 133 CG LEU A 8 -9.932 -2.420 6.754 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.184 -2.027 5.931 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.898 -1.446 7.966 1.00 18.59 C ATOM 0 H LEU A 8 -8.650 -4.997 5.664 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.122 -3.663 8.061 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.561 -4.487 6.469 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.796 -3.897 8.102 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.012 -2.359 6.173 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.076 -1.004 5.570 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.288 -2.702 5.082 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.071 -2.098 6.561 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.771 -0.424 7.608 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.833 -1.522 8.520 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.066 -1.708 8.620 1.00 18.59 H new ATOM 147 N THR A 9 -9.180 -6.779 8.302 1.00 18.33 N ATOM 148 CA THR A 9 -9.383 -7.966 9.051 1.00 19.24 C ATOM 149 C THR A 9 -8.137 -8.799 9.121 1.00 19.48 C ATOM 150 O THR A 9 -8.146 -9.963 9.503 1.00 23.14 O ATOM 151 CB THR A 9 -10.356 -8.896 8.386 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.096 -9.192 7.021 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.737 -8.216 8.519 1.00 19.70 C ATOM 0 H THR A 9 -9.221 -6.972 7.301 1.00 18.33 H new ATOM 0 HA THR A 9 -9.725 -7.611 10.023 1.00 19.24 H new ATOM 0 HB THR A 9 -10.285 -9.866 8.878 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.782 -9.804 6.683 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.498 -8.843 8.053 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.975 -8.080 9.574 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.714 -7.245 8.024 1.00 19.70 H new ATOM 161 N GLY A 10 -6.982 -8.182 8.781 1.00 19.43 N ATOM 162 CA GLY A 10 -5.737 -8.795 9.192 1.00 18.74 C ATOM 163 C GLY A 10 -5.245 -9.861 8.296 1.00 17.62 C ATOM 164 O GLY A 10 -4.296 -10.548 8.680 1.00 19.74 O ATOM 0 H GLY A 10 -6.902 -7.312 8.254 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.974 -8.020 9.265 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.866 -9.211 10.191 1.00 18.74 H new ATOM 168 N LYS A 11 -5.767 -10.028 7.070 1.00 13.56 N ATOM 169 CA LYS A 11 -5.313 -11.084 6.221 1.00 11.91 C ATOM 170 C LYS A 11 -4.160 -10.516 5.380 1.00 10.18 C ATOM 171 O LYS A 11 -4.249 -9.388 4.898 1.00 9.10 O ATOM 172 CB LYS A 11 -6.435 -11.476 5.269 1.00 13.43 C ATOM 173 CG LYS A 11 -6.092 -12.632 4.253 1.00 16.69 C ATOM 174 CD LYS A 11 -7.078 -12.820 3.042 1.00 17.92 C ATOM 175 CE LYS A 11 -6.885 -11.773 1.987 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.772 -12.170 0.879 1.00 21.93 N ATOM 0 H LYS A 11 -6.496 -9.439 6.669 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.004 -11.949 6.809 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.299 -11.780 5.860 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.731 -10.594 4.702 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.094 -12.451 3.855 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.049 -13.570 4.806 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.929 -13.807 2.604 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.106 -12.784 3.403 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.144 -10.783 2.363 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.845 -11.729 1.662 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.198 -11.322 0.454 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.221 -12.679 0.158 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.524 -12.790 1.241 1.00 21.93 H new ATOM 190 N THR A 12 -3.001 -11.150 5.424 1.00 9.63 N ATOM 191 CA THR A 12 -1.898 -10.696 4.550 1.00 9.85 C ATOM 192 C THR A 12 -2.043 -11.036 3.040 1.00 11.66 C ATOM 193 O THR A 12 -2.490 -12.127 2.712 1.00 12.33 O ATOM 194 CB THR A 12 -0.607 -11.194 5.079 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.559 -11.181 6.524 1.00 10.91 O ATOM 196 CG2 THR A 12 0.581 -10.317 4.508 1.00 9.63 C ATOM 0 H THR A 12 -2.789 -11.948 6.023 1.00 9.63 H new ATOM 0 HA THR A 12 -1.939 -9.607 4.579 1.00 9.85 H new ATOM 0 HB THR A 12 -0.506 -12.230 4.755 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.310 -11.519 6.825 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.528 -10.688 4.900 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.589 -10.380 3.420 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.445 -9.279 4.810 1.00 9.63 H new ATOM 204 N ILE A 13 -1.592 -10.143 2.094 1.00 10.42 N ATOM 205 CA ILE A 13 -1.435 -10.334 0.651 1.00 11.84 C ATOM 206 C ILE A 13 -0.003 -10.032 0.332 1.00 10.55 C ATOM 207 O ILE A 13 0.612 -9.091 0.876 1.00 11.92 O ATOM 208 CB ILE A 13 -2.436 -9.579 -0.164 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.503 -8.044 0.227 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.755 -10.215 0.279 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.121 -7.292 -1.019 1.00 16.46 C ATOM 0 H ILE A 13 -1.313 -9.202 2.370 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.656 -11.364 0.371 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.205 -9.626 -1.228 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.118 -7.896 1.114 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.510 -7.659 0.460 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.582 -9.744 -0.252 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.739 -11.281 0.053 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.885 -10.073 1.352 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.190 -6.226 -0.803 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.483 -7.445 -1.890 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.116 -7.686 -1.225 1.00 16.46 H new ATOM 223 N THR A 14 0.648 -10.880 -0.466 1.00 9.39 N ATOM 224 CA THR A 14 2.035 -10.774 -0.807 1.00 9.63 C ATOM 225 C THR A 14 2.315 -10.039 -2.061 1.00 11.20 C ATOM 226 O THR A 14 1.743 -10.290 -3.138 1.00 11.63 O ATOM 227 CB THR A 14 2.590 -12.156 -0.990 1.00 10.38 C ATOM 228 OG1 THR A 14 2.325 -12.925 0.134 1.00 16.30 O ATOM 229 CG2 THR A 14 4.084 -12.113 -1.189 1.00 11.66 C ATOM 0 H THR A 14 0.191 -11.683 -0.899 1.00 9.39 H new ATOM 0 HA THR A 14 2.493 -10.217 0.010 1.00 9.63 H new ATOM 0 HB THR A 14 2.117 -12.591 -1.870 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.689 -13.826 0.007 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.463 -13.127 -1.319 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.316 -11.522 -2.075 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.554 -11.659 -0.317 1.00 11.66 H new ATOM 237 N LEU A 15 3.168 -8.985 -2.039 1.00 8.29 N ATOM 238 CA LEU A 15 3.238 -7.999 -3.082 1.00 9.03 C ATOM 239 C LEU A 15 4.740 -7.784 -3.421 1.00 8.59 C ATOM 240 O LEU A 15 5.549 -7.428 -2.556 1.00 7.79 O ATOM 241 CB LEU A 15 2.643 -6.646 -2.585 1.00 11.08 C ATOM 242 CG LEU A 15 1.212 -6.589 -2.055 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.977 -5.188 -1.694 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.150 -7.025 -3.054 1.00 15.27 C ATOM 0 H LEU A 15 3.824 -8.817 -1.276 1.00 8.29 H new ATOM 0 HA LEU A 15 2.674 -8.336 -3.952 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.296 -6.276 -1.795 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.711 -5.939 -3.412 1.00 11.08 H new ATOM 0 HG LEU A 15 1.125 -7.285 -1.221 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.035 -5.077 -1.305 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.694 -4.884 -0.931 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.097 -4.560 -2.577 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.835 -6.953 -2.593 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.188 -6.379 -3.931 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.335 -8.056 -3.355 1.00 15.27 H new ATOM 256 N GLU A 16 5.131 -8.092 -4.693 1.00 11.04 N ATOM 257 CA GLU A 16 6.503 -7.929 -5.137 1.00 11.50 C ATOM 258 C GLU A 16 6.548 -6.589 -5.882 1.00 10.13 C ATOM 259 O GLU A 16 5.703 -6.223 -6.735 1.00 9.83 O ATOM 260 CB GLU A 16 7.002 -9.026 -6.087 1.00 17.22 C ATOM 261 CG GLU A 16 8.543 -8.992 -6.365 1.00 23.33 C ATOM 262 CD GLU A 16 8.999 -9.960 -7.455 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.649 -11.156 -7.321 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.647 -9.499 -8.448 1.00 28.86 O ATOM 0 H GLU A 16 4.499 -8.452 -5.409 1.00 11.04 H new ATOM 0 HA GLU A 16 7.150 -7.980 -4.262 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.743 -9.998 -5.668 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.472 -8.936 -7.035 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.828 -7.979 -6.650 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.074 -9.224 -5.442 1.00 23.33 H new ATOM 271 N VAL A 17 7.588 -5.827 -5.547 1.00 8.99 N ATOM 272 CA VAL A 17 7.639 -4.431 -5.861 1.00 8.85 C ATOM 273 C VAL A 17 9.054 -4.093 -6.149 1.00 8.04 C ATOM 274 O VAL A 17 9.967 -4.823 -5.740 1.00 8.99 O ATOM 275 CB VAL A 17 7.190 -3.528 -4.772 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.622 -3.607 -4.760 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.716 -4.036 -3.444 1.00 10.54 C ATOM 0 H VAL A 17 8.409 -6.175 -5.052 1.00 8.99 H new ATOM 0 HA VAL A 17 6.959 -4.278 -6.699 1.00 8.85 H new ATOM 0 HB VAL A 17 7.548 -2.510 -4.926 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.231 -2.960 -3.975 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.234 -3.282 -5.725 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.311 -4.635 -4.572 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.386 -3.373 -2.644 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.335 -5.041 -3.262 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.805 -4.060 -3.469 1.00 10.54 H new ATOM 287 N GLU A 18 9.383 -3.040 -6.910 1.00 7.29 N ATOM 288 CA GLU A 18 10.678 -2.383 -6.878 1.00 7.08 C ATOM 289 C GLU A 18 10.744 -1.358 -5.721 1.00 6.45 C ATOM 290 O GLU A 18 9.736 -0.951 -5.115 1.00 5.28 O ATOM 291 CB GLU A 18 10.981 -1.631 -8.131 1.00 10.28 C ATOM 292 CG GLU A 18 10.817 -2.445 -9.420 1.00 12.65 C ATOM 293 CD GLU A 18 11.856 -3.501 -9.644 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.081 -3.181 -9.499 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.502 -4.644 -9.997 1.00 14.33 O ATOM 0 H GLU A 18 8.735 -2.619 -7.576 1.00 7.29 H new ATOM 0 HA GLU A 18 11.404 -3.186 -6.750 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.329 -0.759 -8.182 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.005 -1.261 -8.078 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.836 -2.920 -9.409 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.830 -1.760 -10.268 1.00 12.65 H new ATOM 302 N PRO A 19 11.907 -0.842 -5.262 1.00 7.24 N ATOM 303 CA PRO A 19 11.931 0.321 -4.362 1.00 7.07 C ATOM 304 C PRO A 19 11.481 1.596 -4.990 1.00 6.65 C ATOM 305 O PRO A 19 11.245 2.581 -4.267 1.00 6.37 O ATOM 306 CB PRO A 19 13.463 0.305 -3.939 1.00 7.61 C ATOM 307 CG PRO A 19 14.169 -0.253 -5.122 1.00 8.16 C ATOM 308 CD PRO A 19 13.274 -1.339 -5.565 1.00 7.49 C ATOM 0 HA PRO A 19 11.230 0.262 -3.529 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.819 1.307 -3.700 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.624 -0.310 -3.054 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.307 0.498 -5.900 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.159 -0.628 -4.861 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.395 -1.544 -6.629 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.485 -2.268 -5.035 1.00 7.49 H new ATOM 316 N SER A 20 11.400 1.641 -6.374 1.00 6.80 N ATOM 317 CA SER A 20 11.066 2.850 -7.187 1.00 6.28 C ATOM 318 C SER A 20 9.691 2.864 -7.699 1.00 8.45 C ATOM 319 O SER A 20 9.215 3.736 -8.446 1.00 7.26 O ATOM 320 CB SER A 20 12.024 2.923 -8.390 1.00 8.57 C ATOM 321 OG SER A 20 12.271 1.662 -8.999 1.00 11.13 O ATOM 0 H SER A 20 11.570 0.817 -6.951 1.00 6.80 H new ATOM 0 HA SER A 20 11.170 3.706 -6.520 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.607 3.601 -9.135 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.972 3.351 -8.064 1.00 8.57 H new ATOM 0 HG SER A 20 12.884 1.778 -9.755 1.00 11.13 H new ATOM 327 N ASP A 21 8.984 1.781 -7.337 1.00 7.50 N ATOM 328 CA ASP A 21 7.579 1.694 -7.631 1.00 7.70 C ATOM 329 C ASP A 21 6.809 2.624 -6.763 1.00 7.08 C ATOM 330 O ASP A 21 7.068 2.739 -5.569 1.00 8.11 O ATOM 331 CB ASP A 21 7.099 0.161 -7.467 1.00 11.00 C ATOM 332 CG ASP A 21 7.534 -0.760 -8.594 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.126 -0.223 -9.551 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.399 -1.996 -8.449 1.00 14.36 O ATOM 0 H ASP A 21 9.372 0.974 -6.848 1.00 7.50 H new ATOM 0 HA ASP A 21 7.392 1.999 -8.661 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.487 -0.229 -6.526 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.011 0.140 -7.397 1.00 11.00 H new ATOM 339 N THR A 22 5.823 3.308 -7.365 1.00 5.37 N ATOM 340 CA THR A 22 5.116 4.271 -6.534 1.00 6.01 C ATOM 341 C THR A 22 4.061 3.587 -5.712 1.00 8.01 C ATOM 342 O THR A 22 3.581 2.497 -5.972 1.00 8.11 O ATOM 343 CB THR A 22 4.435 5.390 -7.375 1.00 8.92 C ATOM 344 OG1 THR A 22 3.303 4.884 -8.039 1.00 10.22 O ATOM 345 CG2 THR A 22 5.487 6.003 -8.359 1.00 9.65 C ATOM 0 H THR A 22 5.522 3.222 -8.336 1.00 5.37 H new ATOM 0 HA THR A 22 5.866 4.727 -5.887 1.00 6.01 H new ATOM 0 HB THR A 22 4.081 6.189 -6.723 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.884 5.599 -8.562 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.017 6.788 -8.952 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.315 6.425 -7.790 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.863 5.224 -9.022 1.00 9.65 H new ATOM 353 N ILE A 23 3.652 4.215 -4.631 1.00 8.32 N ATOM 354 CA ILE A 23 2.598 3.734 -3.715 1.00 9.92 C ATOM 355 C ILE A 23 1.283 3.514 -4.512 1.00 10.01 C ATOM 356 O ILE A 23 0.696 2.448 -4.368 1.00 8.71 O ATOM 357 CB ILE A 23 2.300 4.731 -2.566 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.643 5.224 -1.889 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.186 4.122 -1.591 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.662 4.213 -1.359 1.00 12.30 C ATOM 0 H ILE A 23 4.048 5.109 -4.341 1.00 8.32 H new ATOM 0 HA ILE A 23 2.963 2.806 -3.275 1.00 9.92 H new ATOM 0 HB ILE A 23 1.855 5.650 -2.947 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.159 5.850 -2.617 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.365 5.868 -1.055 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.982 4.828 -0.786 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.271 3.939 -2.154 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.546 3.184 -1.168 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.513 4.744 -0.933 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.197 3.596 -0.590 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.003 3.578 -2.176 1.00 12.30 H new ATOM 372 N GLU A 24 0.860 4.431 -5.459 1.00 9.54 N ATOM 373 CA GLU A 24 -0.326 4.246 -6.256 1.00 11.81 C ATOM 374 C GLU A 24 -0.266 2.954 -7.123 1.00 11.14 C ATOM 375 O GLU A 24 -1.273 2.232 -7.341 1.00 10.62 O ATOM 376 CB GLU A 24 -0.442 5.485 -7.155 1.00 19.24 C ATOM 377 CG GLU A 24 -1.629 5.483 -8.116 1.00 27.76 C ATOM 378 CD GLU A 24 -1.707 6.783 -8.821 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.913 7.843 -8.176 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.528 6.776 -10.107 1.00 34.80 O ATOM 0 H GLU A 24 1.357 5.299 -5.658 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.193 4.129 -5.606 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.510 6.369 -6.521 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.475 5.579 -7.736 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.523 4.673 -8.838 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.553 5.301 -7.567 1.00 27.76 H new ATOM 387 N ASN A 25 0.951 2.715 -7.651 1.00 9.43 N ATOM 388 CA ASN A 25 1.295 1.461 -8.422 1.00 10.96 C ATOM 389 C ASN A 25 1.184 0.189 -7.574 1.00 9.68 C ATOM 390 O ASN A 25 0.490 -0.757 -7.964 1.00 9.33 O ATOM 391 CB ASN A 25 2.683 1.605 -8.984 1.00 16.78 C ATOM 392 CG ASN A 25 2.980 0.404 -9.903 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.628 -0.572 -9.520 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.395 0.382 -11.159 1.00 24.70 N ATOM 0 H ASN A 25 1.730 3.368 -7.567 1.00 9.43 H new ATOM 0 HA ASN A 25 0.568 1.350 -9.227 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.768 2.537 -9.543 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.413 1.650 -8.176 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.503 -0.437 -11.757 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.857 1.185 -11.485 1.00 24.70 H new ATOM 401 N VAL A 26 1.708 0.220 -6.281 1.00 6.52 N ATOM 402 CA VAL A 26 1.440 -0.873 -5.358 1.00 5.53 C ATOM 403 C VAL A 26 -0.111 -1.089 -5.044 1.00 4.42 C ATOM 404 O VAL A 26 -0.678 -2.217 -5.067 1.00 3.40 O ATOM 405 CB VAL A 26 2.011 -0.631 -3.971 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.934 -1.907 -3.112 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.565 -0.332 -4.167 1.00 8.12 C ATOM 0 H VAL A 26 2.287 0.971 -5.906 1.00 6.52 H new ATOM 0 HA VAL A 26 1.889 -1.720 -5.877 1.00 5.53 H new ATOM 0 HB VAL A 26 1.458 0.175 -3.489 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.349 -1.706 -2.124 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.894 -2.216 -3.012 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.505 -2.703 -3.591 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.026 -0.150 -3.196 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.043 -1.189 -4.641 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.689 0.548 -4.798 1.00 8.12 H new ATOM 417 N LYS A 27 -0.812 0.066 -4.849 1.00 2.64 N ATOM 418 CA LYS A 27 -2.294 -0.039 -4.676 1.00 4.14 C ATOM 419 C LYS A 27 -3.092 -0.585 -5.884 1.00 5.58 C ATOM 420 O LYS A 27 -4.127 -1.180 -5.701 1.00 4.11 O ATOM 421 CB LYS A 27 -2.942 1.296 -4.228 1.00 3.97 C ATOM 422 CG LYS A 27 -2.435 1.832 -2.859 1.00 7.45 C ATOM 423 CD LYS A 27 -3.097 3.173 -2.371 1.00 9.02 C ATOM 424 CE LYS A 27 -2.728 4.338 -3.315 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.628 5.506 -3.068 1.00 15.47 N ATOM 0 H LYS A 27 -0.418 1.006 -4.809 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.368 -0.789 -3.889 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.754 2.051 -4.992 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.022 1.160 -4.173 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.606 1.066 -2.103 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.357 1.981 -2.923 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.180 3.057 -2.334 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.766 3.400 -1.358 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.690 4.629 -3.157 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.814 4.016 -4.353 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.360 6.290 -3.697 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.613 5.231 -3.258 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.538 5.810 -2.078 1.00 15.47 H new ATOM 439 N ALA A 28 -2.606 -0.452 -7.089 1.00 6.61 N ATOM 440 CA ALA A 28 -3.163 -1.127 -8.265 1.00 7.74 C ATOM 441 C ALA A 28 -2.773 -2.596 -8.277 1.00 9.17 C ATOM 442 O ALA A 28 -3.562 -3.426 -8.728 1.00 11.45 O ATOM 443 CB ALA A 28 -2.595 -0.573 -9.547 1.00 7.68 C ATOM 0 H ALA A 28 -1.799 0.135 -7.301 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.241 -0.980 -8.205 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.032 -1.099 -10.396 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.828 0.489 -9.619 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.513 -0.708 -9.554 1.00 7.68 H new ATOM 449 N LYS A 29 -1.626 -3.027 -7.773 1.00 8.96 N ATOM 450 CA LYS A 29 -1.201 -4.425 -7.553 1.00 7.90 C ATOM 451 C LYS A 29 -2.099 -5.091 -6.480 1.00 6.92 C ATOM 452 O LYS A 29 -2.505 -6.273 -6.698 1.00 6.87 O ATOM 453 CB LYS A 29 0.245 -4.411 -7.129 1.00 10.28 C ATOM 454 CG LYS A 29 0.872 -5.748 -7.103 1.00 14.94 C ATOM 455 CD LYS A 29 2.387 -5.736 -7.265 1.00 19.69 C ATOM 456 CE LYS A 29 2.872 -5.458 -8.680 1.00 22.63 C ATOM 457 NZ LYS A 29 4.359 -5.268 -8.725 1.00 24.98 N ATOM 0 H LYS A 29 -0.905 -2.368 -7.481 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.304 -5.008 -8.468 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.807 -3.770 -7.808 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.319 -3.966 -6.137 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.624 -6.234 -6.160 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.439 -6.355 -7.898 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.804 -4.982 -6.598 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.781 -6.700 -6.943 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.590 -6.285 -9.331 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.379 -4.566 -9.066 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.581 -4.253 -8.672 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.796 -5.761 -7.920 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.732 -5.658 -9.614 1.00 24.98 H new ATOM 471 N ILE A 30 -2.470 -4.385 -5.421 1.00 4.57 N ATOM 472 CA ILE A 30 -3.576 -4.750 -4.503 1.00 5.58 C ATOM 473 C ILE A 30 -4.900 -4.938 -5.195 1.00 7.26 C ATOM 474 O ILE A 30 -5.604 -5.930 -5.089 1.00 9.46 O ATOM 475 CB ILE A 30 -3.879 -3.861 -3.312 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.504 -3.783 -2.487 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.005 -4.486 -2.471 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.673 -3.238 -1.109 1.00 2.00 C ATOM 0 H ILE A 30 -2.006 -3.516 -5.157 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.141 -5.673 -4.120 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.220 -2.867 -3.602 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.069 -4.780 -2.425 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.796 -3.159 -3.033 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.220 -3.844 -1.616 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.902 -4.588 -3.082 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.693 -5.469 -2.118 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.706 -3.212 -0.607 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.080 -2.228 -1.164 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.357 -3.874 -0.547 1.00 2.00 H new ATOM 490 N GLN A 31 -5.289 -4.017 -6.095 1.00 7.06 N ATOM 491 CA GLN A 31 -6.514 -4.149 -6.835 1.00 8.67 C ATOM 492 C GLN A 31 -6.535 -5.360 -7.778 1.00 10.90 C ATOM 493 O GLN A 31 -7.570 -6.034 -7.844 1.00 9.63 O ATOM 494 CB GLN A 31 -6.817 -2.852 -7.650 1.00 9.12 C ATOM 495 CG GLN A 31 -8.195 -2.784 -8.401 1.00 10.76 C ATOM 496 CD GLN A 31 -8.380 -1.489 -9.160 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.499 -0.989 -9.869 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.650 -0.929 -9.190 1.00 14.76 N ATOM 0 H GLN A 31 -4.755 -3.176 -6.314 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.290 -4.310 -6.087 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.761 -2.003 -6.968 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.024 -2.722 -8.386 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.268 -3.621 -9.095 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.004 -2.897 -7.679 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.395 -1.323 -8.615 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.838 -0.124 -9.787 1.00 14.76 H new ATOM 507 N ASP A 32 -5.381 -5.754 -8.458 1.00 10.93 N ATOM 508 CA ASP A 32 -5.155 -7.000 -9.183 1.00 14.01 C ATOM 509 C ASP A 32 -5.362 -8.231 -8.283 1.00 14.04 C ATOM 510 O ASP A 32 -5.741 -9.274 -8.752 1.00 13.39 O ATOM 511 CB ASP A 32 -3.713 -7.127 -9.723 1.00 18.01 C ATOM 512 CG ASP A 32 -3.426 -8.068 -10.885 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.280 -8.138 -11.809 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.375 -8.754 -10.875 1.00 26.29 O ATOM 0 H ASP A 32 -4.562 -5.147 -8.492 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.875 -6.968 -10.001 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.388 -6.131 -10.022 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.079 -7.433 -8.891 1.00 18.01 H new ATOM 519 N LYS A 33 -5.076 -8.194 -6.955 1.00 14.22 N ATOM 520 CA LYS A 33 -5.112 -9.389 -6.085 1.00 14.00 C ATOM 521 C LYS A 33 -6.350 -9.512 -5.177 1.00 12.37 C ATOM 522 O LYS A 33 -6.673 -10.570 -4.637 1.00 12.17 O ATOM 523 CB LYS A 33 -3.802 -9.356 -5.235 1.00 18.62 C ATOM 524 CG LYS A 33 -2.617 -9.823 -6.097 1.00 24.00 C ATOM 525 CD LYS A 33 -1.301 -9.823 -5.328 1.00 27.61 C ATOM 526 CE LYS A 33 -0.012 -9.911 -6.185 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.004 -11.149 -7.045 1.00 30.06 N ATOM 0 H LYS A 33 -4.816 -7.338 -6.464 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.182 -10.269 -6.725 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.621 -8.346 -4.866 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.906 -10.000 -4.362 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.816 -10.828 -6.470 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.526 -9.173 -6.967 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.253 -8.914 -4.729 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.309 -10.663 -4.633 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.067 -9.027 -6.818 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.861 -9.915 -5.532 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.872 -11.177 -7.605 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.055 -11.993 -6.439 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.824 -11.133 -7.685 1.00 30.06 H new ATOM 541 N GLU A 34 -7.164 -8.450 -5.021 1.00 10.11 N ATOM 542 CA GLU A 34 -8.277 -8.364 -4.085 1.00 10.07 C ATOM 543 C GLU A 34 -9.383 -7.377 -4.481 1.00 9.32 C ATOM 544 O GLU A 34 -10.462 -7.456 -3.889 1.00 11.61 O ATOM 545 CB GLU A 34 -7.786 -7.882 -2.623 1.00 14.77 C ATOM 546 CG GLU A 34 -6.752 -8.748 -1.865 1.00 18.75 C ATOM 547 CD GLU A 34 -7.248 -10.137 -1.467 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.300 -10.290 -0.867 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.450 -11.068 -1.671 1.00 21.95 O ATOM 0 H GLU A 34 -7.050 -7.599 -5.571 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.676 -9.378 -4.090 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.366 -6.882 -2.728 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.669 -7.792 -1.991 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.865 -8.859 -2.489 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.444 -8.216 -0.965 1.00 18.75 H new ATOM 556 N GLY A 35 -9.236 -6.545 -5.502 1.00 7.22 N ATOM 557 CA GLY A 35 -10.402 -5.917 -6.059 1.00 6.29 C ATOM 558 C GLY A 35 -10.906 -4.644 -5.538 1.00 6.93 C ATOM 559 O GLY A 35 -12.050 -4.299 -5.754 1.00 7.41 O ATOM 0 H GLY A 35 -8.349 -6.301 -5.942 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.206 -5.770 -7.121 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.217 -6.636 -5.982 1.00 6.29 H new ATOM 563 N ILE A 36 -10.100 -3.886 -4.751 1.00 5.86 N ATOM 564 CA ILE A 36 -10.445 -2.637 -4.093 1.00 6.07 C ATOM 565 C ILE A 36 -9.955 -1.430 -4.895 1.00 6.36 C ATOM 566 O ILE A 36 -8.743 -1.486 -5.247 1.00 6.18 O ATOM 567 CB ILE A 36 -9.946 -2.660 -2.601 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.276 -3.968 -1.914 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.550 -1.529 -1.786 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.522 -4.029 -0.498 1.00 9.49 C ATOM 0 H ILE A 36 -9.137 -4.163 -4.559 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.529 -2.532 -4.057 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.864 -2.538 -2.650 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.353 -4.054 -1.769 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.970 -4.807 -2.538 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.180 -1.581 -0.762 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.268 -0.573 -2.226 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.636 -1.621 -1.784 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.758 -4.970 -0.001 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.446 -3.962 -0.656 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.850 -3.197 0.125 1.00 9.49 H new ATOM 582 N PRO A 37 -10.685 -0.335 -5.239 1.00 8.65 N ATOM 583 CA PRO A 37 -10.092 0.847 -5.914 1.00 9.18 C ATOM 584 C PRO A 37 -8.809 1.481 -5.358 1.00 9.85 C ATOM 585 O PRO A 37 -8.869 1.795 -4.194 1.00 8.51 O ATOM 586 CB PRO A 37 -11.315 1.863 -5.836 1.00 11.42 C ATOM 587 CG PRO A 37 -12.494 0.879 -5.945 1.00 9.27 C ATOM 588 CD PRO A 37 -12.111 -0.210 -5.007 1.00 8.33 C ATOM 0 HA PRO A 37 -9.716 0.558 -6.895 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.329 2.427 -4.903 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.304 2.590 -6.648 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.436 1.345 -5.658 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.618 0.509 -6.963 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.333 0.049 -3.972 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.641 -1.138 -5.224 1.00 8.33 H new ATOM 596 N PRO A 38 -7.722 1.865 -6.019 1.00 8.71 N ATOM 597 CA PRO A 38 -6.559 2.552 -5.412 1.00 9.08 C ATOM 598 C PRO A 38 -6.846 3.934 -4.837 1.00 9.28 C ATOM 599 O PRO A 38 -6.157 4.459 -3.987 1.00 6.50 O ATOM 600 CB PRO A 38 -5.582 2.606 -6.527 1.00 10.31 C ATOM 601 CG PRO A 38 -5.863 1.474 -7.489 1.00 10.81 C ATOM 602 CD PRO A 38 -7.383 1.203 -7.283 1.00 12.00 C ATOM 0 HA PRO A 38 -6.206 2.014 -4.532 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.653 3.564 -7.043 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.566 2.527 -6.140 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.640 1.755 -8.518 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.262 0.593 -7.262 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.970 1.605 -8.108 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.590 0.134 -7.236 1.00 12.00 H new ATOM 610 N ASP A 39 -8.016 4.511 -5.197 1.00 11.20 N ATOM 611 CA ASP A 39 -8.553 5.745 -4.631 1.00 14.96 C ATOM 612 C ASP A 39 -9.089 5.453 -3.277 1.00 13.99 C ATOM 613 O ASP A 39 -9.123 6.316 -2.368 1.00 13.75 O ATOM 614 CB ASP A 39 -9.655 6.368 -5.525 1.00 24.16 C ATOM 615 CG ASP A 39 -9.155 7.011 -6.792 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.632 6.194 -7.624 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.269 8.220 -6.990 1.00 35.55 O ATOM 0 H ASP A 39 -8.622 4.109 -5.912 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.748 6.477 -4.570 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.372 5.590 -5.788 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.195 7.116 -4.944 1.00 24.16 H new ATOM 622 N GLN A 40 -9.441 4.201 -2.945 1.00 11.60 N ATOM 623 CA GLN A 40 -10.164 3.819 -1.717 1.00 10.76 C ATOM 624 C GLN A 40 -9.210 3.304 -0.738 1.00 8.01 C ATOM 625 O GLN A 40 -9.365 3.388 0.465 1.00 8.96 O ATOM 626 CB GLN A 40 -11.151 2.648 -1.911 1.00 11.14 C ATOM 627 CG GLN A 40 -12.191 2.420 -0.824 1.00 14.85 C ATOM 628 CD GLN A 40 -13.086 1.140 -1.123 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.952 0.099 -0.532 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.098 1.425 -2.039 1.00 18.16 N ATOM 0 H GLN A 40 -9.225 3.401 -3.540 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.697 4.720 -1.413 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.677 2.804 -2.853 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.570 1.732 -2.018 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.692 2.298 0.137 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.830 3.299 -0.742 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.133 2.338 -2.493 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.804 0.721 -2.255 1.00 18.16 H new ATOM 639 N GLN A 41 -8.119 2.626 -1.196 1.00 6.52 N ATOM 640 CA GLN A 41 -7.063 2.121 -0.353 1.00 3.87 C ATOM 641 C GLN A 41 -6.033 3.167 0.089 1.00 4.79 C ATOM 642 O GLN A 41 -5.540 3.964 -0.666 1.00 6.34 O ATOM 643 CB GLN A 41 -6.204 1.211 -1.170 1.00 4.20 C ATOM 644 CG GLN A 41 -6.836 -0.051 -1.803 1.00 3.20 C ATOM 645 CD GLN A 41 -5.868 -0.628 -2.793 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.676 -0.737 -2.466 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.273 -0.901 -4.069 1.00 7.13 N ATOM 0 H GLN A 41 -7.972 2.426 -2.185 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.585 1.691 0.502 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.773 1.803 -1.977 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.378 0.884 -0.538 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.070 -0.784 -1.031 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.774 0.203 -2.296 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.256 -0.807 -4.323 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.592 -1.199 -4.767 1.00 7.13 H new ATOM 656 N ARG A 42 -5.804 3.202 1.363 1.00 5.73 N ATOM 657 CA ARG A 42 -4.801 4.005 2.020 1.00 6.97 C ATOM 658 C ARG A 42 -3.857 3.053 2.806 1.00 7.15 C ATOM 659 O ARG A 42 -4.228 2.354 3.738 1.00 7.33 O ATOM 660 CB ARG A 42 -5.512 4.957 3.011 1.00 13.23 C ATOM 661 CG ARG A 42 -6.260 6.134 2.320 1.00 21.27 C ATOM 662 CD ARG A 42 -6.960 7.115 3.282 1.00 26.14 C ATOM 663 NE ARG A 42 -7.025 8.490 2.646 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.368 9.550 3.298 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.987 9.505 4.457 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.910 10.727 2.826 1.00 36.39 N ATOM 0 H ARG A 42 -6.342 2.638 2.021 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.228 4.585 1.296 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.224 4.384 3.604 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.775 5.363 3.703 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.547 6.691 1.712 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.005 5.722 1.640 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.965 6.761 3.511 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.417 7.165 4.226 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.787 8.581 1.658 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.216 8.605 4.878 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.238 10.370 4.935 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.323 10.748 1.992 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.151 11.596 3.303 1.00 36.39 H new ATOM 680 N LEU A 43 -2.574 3.023 2.441 1.00 4.65 N ATOM 681 CA LEU A 43 -1.643 2.166 3.106 1.00 3.51 C ATOM 682 C LEU A 43 -0.869 2.923 4.169 1.00 5.56 C ATOM 683 O LEU A 43 -0.420 4.045 3.810 1.00 4.19 O ATOM 684 CB LEU A 43 -0.617 1.677 2.122 1.00 3.74 C ATOM 685 CG LEU A 43 -1.244 0.906 0.925 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.309 0.508 -0.197 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.940 -0.365 1.459 1.00 6.41 C ATOM 0 H LEU A 43 -2.176 3.587 1.690 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.214 1.350 3.548 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.051 2.528 1.743 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.091 1.026 2.636 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.933 1.620 0.473 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.870 -0.022 -0.967 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.144 1.401 -0.627 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.473 -0.143 0.195 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.383 -0.913 0.628 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.208 -0.997 1.961 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.721 -0.083 2.165 1.00 6.41 H new ATOM 699 N ILE A 44 -0.798 2.429 5.438 1.00 4.58 N ATOM 700 CA ILE A 44 -0.187 3.102 6.559 1.00 5.55 C ATOM 701 C ILE A 44 0.963 2.306 7.138 1.00 5.46 C ATOM 702 O ILE A 44 0.798 1.134 7.465 1.00 6.04 O ATOM 703 CB ILE A 44 -1.122 3.564 7.726 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.359 4.240 7.101 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.456 4.490 8.763 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.282 5.008 8.054 1.00 13.90 C ATOM 0 H ILE A 44 -1.185 1.519 5.688 1.00 4.58 H new ATOM 0 HA ILE A 44 0.159 4.025 6.094 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.393 2.676 8.297 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.016 4.930 6.330 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.950 3.472 6.601 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.181 4.757 9.532 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.387 3.974 9.223 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.102 5.395 8.269 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.112 5.435 7.491 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.670 4.328 8.812 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.721 5.808 8.537 1.00 13.90 H new ATOM 718 N PHE A 45 2.166 2.882 7.329 1.00 6.75 N ATOM 719 CA PHE A 45 3.294 2.122 7.835 1.00 4.70 C ATOM 720 C PHE A 45 4.123 3.142 8.531 1.00 6.34 C ATOM 721 O PHE A 45 4.217 4.282 8.142 1.00 5.45 O ATOM 722 CB PHE A 45 4.089 1.484 6.625 1.00 5.51 C ATOM 723 CG PHE A 45 5.425 0.945 7.016 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.512 -0.154 7.847 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.622 1.647 6.703 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.685 -0.630 8.349 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.881 1.177 7.218 1.00 6.64 C ATOM 728 CZ PHE A 45 7.905 0.107 8.143 1.00 6.84 C ATOM 0 H PHE A 45 2.367 3.864 7.138 1.00 6.75 H new ATOM 0 HA PHE A 45 3.006 1.301 8.492 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.494 0.681 6.191 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.222 2.238 5.849 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.599 -0.665 8.114 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.586 2.529 6.081 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.700 -1.558 8.901 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.804 1.639 6.900 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.808 -0.149 8.677 1.00 6.84 H new ATOM 738 N ALA A 46 4.692 2.749 9.689 1.00 6.53 N ATOM 739 CA ALA A 46 5.609 3.453 10.554 1.00 7.15 C ATOM 740 C ALA A 46 5.116 4.829 10.954 1.00 9.00 C ATOM 741 O ALA A 46 5.831 5.811 11.132 1.00 11.15 O ATOM 742 CB ALA A 46 7.111 3.411 10.233 1.00 8.99 C ATOM 0 H ALA A 46 4.484 1.824 10.066 1.00 6.53 H new ATOM 0 HA ALA A 46 5.581 2.815 11.437 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.659 3.988 10.978 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.458 2.378 10.248 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.284 3.837 9.245 1.00 8.99 H new ATOM 748 N GLY A 47 3.835 4.911 11.215 1.00 9.35 N ATOM 749 CA GLY A 47 3.088 6.132 11.500 1.00 11.68 C ATOM 750 C GLY A 47 2.689 7.052 10.290 1.00 11.14 C ATOM 751 O GLY A 47 2.143 8.109 10.599 1.00 13.93 O ATOM 0 H GLY A 47 3.241 4.082 11.238 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.173 5.850 12.021 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.678 6.730 12.194 1.00 11.68 H new ATOM 755 N LYS A 48 3.031 6.720 9.083 1.00 10.47 N ATOM 756 CA LYS A 48 2.921 7.501 7.919 1.00 8.82 C ATOM 757 C LYS A 48 1.851 6.967 7.037 1.00 7.68 C ATOM 758 O LYS A 48 1.796 5.771 6.627 1.00 6.47 O ATOM 759 CB LYS A 48 4.261 7.547 7.122 1.00 9.74 C ATOM 760 CG LYS A 48 5.508 7.832 7.991 1.00 14.14 C ATOM 761 CD LYS A 48 5.492 9.204 8.749 1.00 16.32 C ATOM 762 CE LYS A 48 6.900 9.679 9.017 1.00 20.04 C ATOM 763 NZ LYS A 48 6.934 11.102 9.207 1.00 23.92 N ATOM 0 H LYS A 48 3.432 5.803 8.885 1.00 10.47 H new ATOM 0 HA LYS A 48 2.672 8.514 8.236 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.399 6.594 6.610 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.186 8.315 6.352 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.612 7.031 8.723 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.391 7.797 7.353 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.958 9.947 8.156 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.952 9.099 9.690 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.294 9.180 9.903 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.546 9.404 8.183 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.912 11.405 9.390 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.579 11.575 8.351 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.335 11.358 10.018 1.00 23.92 H new ATOM 777 N GLN A 49 0.920 7.888 6.617 1.00 8.89 N ATOM 778 CA GLN A 49 -0.094 7.536 5.733 1.00 7.18 C ATOM 779 C GLN A 49 0.342 7.845 4.334 1.00 8.23 C ATOM 780 O GLN A 49 0.550 9.017 3.910 1.00 9.70 O ATOM 781 CB GLN A 49 -1.423 8.287 5.982 1.00 11.67 C ATOM 782 CG GLN A 49 -2.651 7.700 5.210 1.00 15.82 C ATOM 783 CD GLN A 49 -3.899 8.553 5.594 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.890 8.063 6.190 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.819 9.853 5.241 1.00 20.67 N ATOM 0 H GLN A 49 0.906 8.864 6.913 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.275 6.472 5.888 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.640 8.273 7.050 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.295 9.331 5.697 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.479 7.735 4.134 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.806 6.654 5.475 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.990 10.200 4.758 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.587 10.488 5.457 1.00 20.67 H new ATOM 794 N LEU A 50 0.623 6.774 3.601 1.00 6.51 N ATOM 795 CA LEU A 50 1.550 6.752 2.487 1.00 7.41 C ATOM 796 C LEU A 50 0.890 7.377 1.184 1.00 8.27 C ATOM 797 O LEU A 50 -0.124 6.914 0.709 1.00 8.34 O ATOM 798 CB LEU A 50 1.913 5.305 2.112 1.00 7.13 C ATOM 799 CG LEU A 50 2.654 4.630 3.314 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.943 3.160 2.981 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.817 5.401 3.956 1.00 9.11 C ATOM 0 H LEU A 50 0.193 5.866 3.777 1.00 6.51 H new ATOM 0 HA LEU A 50 2.425 7.320 2.803 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.012 4.744 1.864 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.548 5.295 1.226 1.00 7.13 H new ATOM 0 HG LEU A 50 1.957 4.666 4.151 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.459 2.692 3.819 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.004 2.638 2.795 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.571 3.105 2.092 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.235 4.814 4.774 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.589 5.583 3.209 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.453 6.353 4.342 1.00 9.11 H new ATOM 813 N GLU A 51 1.401 8.547 0.728 1.00 9.43 N ATOM 814 CA GLU A 51 0.860 9.208 -0.429 1.00 11.90 C ATOM 815 C GLU A 51 1.238 8.543 -1.754 1.00 11.49 C ATOM 816 O GLU A 51 2.274 7.874 -1.927 1.00 9.88 O ATOM 817 CB GLU A 51 1.196 10.709 -0.405 1.00 16.56 C ATOM 818 CG GLU A 51 0.448 11.390 0.787 1.00 26.06 C ATOM 819 CD GLU A 51 -1.030 11.414 0.525 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.435 12.167 -0.415 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.811 10.650 1.188 1.00 32.13 O ATOM 0 H GLU A 51 2.187 9.032 1.161 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.223 9.103 -0.370 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.272 10.850 -0.302 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.902 11.174 -1.346 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.652 10.849 1.711 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.817 12.406 0.925 1.00 26.06 H new ATOM 828 N ASP A 52 0.311 8.746 -2.719 1.00 12.71 N ATOM 829 CA ASP A 52 0.227 8.112 -3.955 1.00 16.56 C ATOM 830 C ASP A 52 1.497 8.139 -4.821 1.00 15.83 C ATOM 831 O ASP A 52 1.969 7.096 -5.313 1.00 17.21 O ATOM 832 CB ASP A 52 -0.907 8.748 -4.712 1.00 21.05 C ATOM 833 CG ASP A 52 -2.200 8.587 -4.002 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.362 9.040 -2.816 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.072 7.877 -4.471 1.00 25.82 O ATOM 0 H ASP A 52 -0.439 9.426 -2.592 1.00 12.71 H new ATOM 0 HA ASP A 52 0.070 7.054 -3.744 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.700 9.809 -4.854 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.978 8.301 -5.704 1.00 21.05 H new ATOM 840 N GLY A 53 2.058 9.329 -5.042 1.00 15.00 N ATOM 841 CA GLY A 53 3.053 9.596 -6.049 1.00 11.77 C ATOM 842 C GLY A 53 4.481 9.463 -5.556 1.00 11.10 C ATOM 843 O GLY A 53 5.451 9.565 -6.281 1.00 11.25 O ATOM 0 H GLY A 53 1.814 10.156 -4.497 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.903 8.912 -6.884 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.905 10.605 -6.433 1.00 11.77 H new ATOM 847 N ARG A 54 4.588 9.150 -4.256 1.00 8.53 N ATOM 848 CA ARG A 54 5.809 8.911 -3.512 1.00 9.05 C ATOM 849 C ARG A 54 6.283 7.532 -3.890 1.00 8.96 C ATOM 850 O ARG A 54 5.580 6.826 -4.708 1.00 11.60 O ATOM 851 CB ARG A 54 5.467 8.855 -1.954 1.00 7.97 C ATOM 852 CG ARG A 54 4.886 10.212 -1.401 1.00 9.62 C ATOM 853 CD ARG A 54 5.894 11.348 -1.260 1.00 12.20 C ATOM 854 NE ARG A 54 5.302 12.398 -0.365 1.00 18.23 N ATOM 855 CZ ARG A 54 4.325 13.211 -0.767 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.099 13.458 -2.051 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.440 13.692 0.161 1.00 23.38 N ATOM 0 H ARG A 54 3.761 9.053 -3.667 1.00 8.53 H new ATOM 0 HA ARG A 54 6.543 9.689 -3.722 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.746 8.058 -1.775 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.369 8.600 -1.399 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.085 10.541 -2.063 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.437 10.024 -0.426 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.829 10.976 -0.841 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.128 11.771 -2.237 1.00 12.20 H new ATOM 0 HE ARG A 54 5.660 12.493 0.585 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.682 13.020 -2.765 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.343 14.085 -2.324 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.535 13.427 1.141 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.686 14.315 -0.128 1.00 23.38 H new ATOM 871 N THR A 55 7.448 7.108 -3.438 1.00 9.05 N ATOM 872 CA THR A 55 7.930 5.779 -3.622 1.00 9.03 C ATOM 873 C THR A 55 8.341 5.122 -2.386 1.00 8.15 C ATOM 874 O THR A 55 8.585 5.722 -1.322 1.00 5.91 O ATOM 875 CB THR A 55 9.174 5.603 -4.483 1.00 11.15 C ATOM 876 OG1 THR A 55 10.268 6.443 -4.004 1.00 11.95 O ATOM 877 CG2 THR A 55 8.925 5.972 -5.974 1.00 11.71 C ATOM 0 H THR A 55 8.092 7.706 -2.920 1.00 9.05 H new ATOM 0 HA THR A 55 7.047 5.354 -4.099 1.00 9.03 H new ATOM 0 HB THR A 55 9.433 4.547 -4.409 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.055 6.310 -4.572 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.844 5.829 -6.543 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.142 5.332 -6.381 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.614 7.014 -6.044 1.00 11.71 H new ATOM 885 N LEU A 56 8.439 3.786 -2.465 1.00 6.91 N ATOM 886 CA LEU A 56 8.750 3.005 -1.271 1.00 8.29 C ATOM 887 C LEU A 56 10.084 3.260 -0.563 1.00 8.05 C ATOM 888 O LEU A 56 10.020 3.408 0.675 1.00 10.17 O ATOM 889 CB LEU A 56 8.688 1.530 -1.757 1.00 6.60 C ATOM 890 CG LEU A 56 7.186 1.136 -2.206 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.244 -0.177 -3.020 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.279 0.953 -0.988 1.00 8.64 C ATOM 0 H LEU A 56 8.311 3.242 -3.318 1.00 6.91 H new ATOM 0 HA LEU A 56 8.036 3.291 -0.499 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.371 1.389 -2.594 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.020 0.865 -0.959 1.00 6.60 H new ATOM 0 HG LEU A 56 6.771 1.941 -2.813 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.238 -0.457 -3.331 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.869 -0.031 -3.901 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.667 -0.970 -2.403 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.275 0.688 -1.319 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.674 0.158 -0.356 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.241 1.882 -0.420 1.00 8.64 H new ATOM 904 N SER A 57 11.253 3.388 -1.287 1.00 8.92 N ATOM 905 CA SER A 57 12.563 3.713 -0.636 1.00 9.00 C ATOM 906 C SER A 57 12.593 5.079 0.008 1.00 9.44 C ATOM 907 O SER A 57 13.153 5.382 1.096 1.00 10.91 O ATOM 908 CB SER A 57 13.755 3.592 -1.584 1.00 10.32 C ATOM 909 OG SER A 57 13.782 4.602 -2.631 1.00 13.59 O ATOM 0 H SER A 57 11.307 3.272 -2.299 1.00 8.92 H new ATOM 0 HA SER A 57 12.655 2.958 0.145 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.676 3.659 -1.004 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.740 2.605 -2.046 1.00 10.32 H new ATOM 0 HG SER A 57 14.570 4.465 -3.197 1.00 13.59 H new ATOM 915 N ASP A 58 11.872 6.042 -0.642 1.00 9.11 N ATOM 916 CA ASP A 58 11.679 7.362 -0.063 1.00 7.91 C ATOM 917 C ASP A 58 11.120 7.367 1.376 1.00 9.12 C ATOM 918 O ASP A 58 11.596 8.133 2.242 1.00 8.61 O ATOM 919 CB ASP A 58 10.704 8.196 -1.020 1.00 8.41 C ATOM 920 CG ASP A 58 10.624 9.668 -0.720 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.705 10.372 -0.880 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.512 10.122 -0.423 1.00 11.70 O ATOM 0 H ASP A 58 11.431 5.909 -1.552 1.00 9.11 H new ATOM 0 HA ASP A 58 12.668 7.814 0.012 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.035 8.068 -2.051 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.702 7.772 -0.952 1.00 8.41 H new ATOM 927 N TYR A 59 10.194 6.449 1.683 1.00 7.97 N ATOM 928 CA TYR A 59 9.539 6.296 3.011 1.00 8.45 C ATOM 929 C TYR A 59 10.238 5.220 3.795 1.00 10.98 C ATOM 930 O TYR A 59 9.765 4.902 4.891 1.00 12.95 O ATOM 931 CB TYR A 59 8.110 5.737 2.806 1.00 7.94 C ATOM 932 CG TYR A 59 7.102 6.788 2.482 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.726 7.702 3.505 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.276 6.793 1.305 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.646 8.607 3.300 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.188 7.600 1.151 1.00 6.52 C ATOM 937 CZ TYR A 59 4.931 8.569 2.089 1.00 6.76 C ATOM 938 OH TYR A 59 3.819 9.436 1.933 1.00 7.63 O ATOM 0 H TYR A 59 9.862 5.767 1.001 1.00 7.97 H new ATOM 0 HA TYR A 59 9.557 7.264 3.511 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.128 5.001 2.002 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.800 5.213 3.710 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.263 7.710 4.442 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.531 6.121 0.499 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.378 9.317 4.068 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.535 7.478 0.300 1.00 6.52 H new ATOM 0 HH TYR A 59 4.135 10.335 1.702 1.00 7.63 H new ATOM 948 N ASN A 60 11.372 4.736 3.365 1.00 12.38 N ATOM 949 CA ASN A 60 12.142 3.724 4.073 1.00 13.94 C ATOM 950 C ASN A 60 11.334 2.446 4.239 1.00 14.16 C ATOM 951 O ASN A 60 11.174 1.883 5.286 1.00 14.26 O ATOM 952 CB ASN A 60 12.947 4.160 5.332 1.00 19.23 C ATOM 953 CG ASN A 60 13.979 5.216 4.939 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.761 6.418 5.039 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.195 4.727 4.563 1.00 24.09 N ATOM 0 H ASN A 60 11.805 5.036 2.492 1.00 12.38 H new ATOM 0 HA ASN A 60 12.980 3.515 3.408 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.271 4.561 6.088 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.445 3.297 5.775 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.960 5.368 4.354 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.339 3.720 4.491 1.00 24.09 H new ATOM 962 N ILE A 61 10.729 2.006 3.142 1.00 11.08 N ATOM 963 CA ILE A 61 10.011 0.728 3.048 1.00 11.78 C ATOM 964 C ILE A 61 10.859 -0.196 2.140 1.00 13.74 C ATOM 965 O ILE A 61 11.374 0.197 1.131 1.00 14.60 O ATOM 966 CB ILE A 61 8.648 0.924 2.418 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.632 1.835 3.155 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.012 -0.516 2.343 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.448 2.276 2.406 1.00 11.42 C ATOM 0 H ILE A 61 10.720 2.535 2.270 1.00 11.08 H new ATOM 0 HA ILE A 61 9.867 0.302 4.041 1.00 11.78 H new ATOM 0 HB ILE A 61 8.826 1.435 1.472 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.289 1.306 4.044 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.163 2.723 3.497 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.020 -0.453 1.896 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.644 -1.162 1.734 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.931 -0.931 3.348 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.827 2.905 3.044 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.762 2.845 1.531 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.875 1.406 2.086 1.00 11.42 H new ATOM 981 N GLN A 62 11.105 -1.392 2.758 1.00 13.97 N ATOM 982 CA GLN A 62 12.202 -2.257 2.397 1.00 15.52 C ATOM 983 C GLN A 62 11.676 -3.697 2.160 1.00 13.94 C ATOM 984 O GLN A 62 10.517 -3.997 2.388 1.00 12.15 O ATOM 985 CB GLN A 62 13.458 -2.245 3.416 1.00 19.53 C ATOM 986 CG GLN A 62 13.106 -2.817 4.757 1.00 26.38 C ATOM 987 CD GLN A 62 14.315 -2.961 5.666 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.425 -2.467 5.430 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.159 -3.804 6.745 1.00 32.71 N ATOM 0 H GLN A 62 10.530 -1.756 3.518 1.00 13.97 H new ATOM 0 HA GLN A 62 12.612 -1.849 1.473 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.280 -2.816 2.984 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.812 -1.222 3.541 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.368 -2.176 5.239 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.640 -3.793 4.621 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.246 -4.214 6.944 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.956 -4.018 7.344 1.00 32.71 H new ATOM 998 N LYS A 63 12.533 -4.641 1.750 1.00 11.73 N ATOM 999 CA LYS A 63 12.272 -6.100 1.748 1.00 11.97 C ATOM 1000 C LYS A 63 11.660 -6.694 3.030 1.00 10.41 C ATOM 1001 O LYS A 63 12.072 -6.313 4.107 1.00 9.59 O ATOM 1002 CB LYS A 63 13.597 -6.753 1.336 1.00 13.73 C ATOM 1003 CG LYS A 63 13.493 -8.269 1.010 1.00 16.98 C ATOM 1004 CD LYS A 63 14.581 -8.657 -0.002 1.00 20.19 C ATOM 1005 CE LYS A 63 15.314 -9.984 0.336 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.144 -9.829 1.431 1.00 25.97 N ATOM 0 H LYS A 63 13.462 -4.410 1.397 1.00 11.73 H new ATOM 0 HA LYS A 63 11.470 -6.316 1.042 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.988 -6.232 0.462 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.321 -6.616 2.139 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.605 -8.855 1.922 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.507 -8.497 0.604 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.129 -8.745 -0.990 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.315 -7.853 -0.058 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.582 -10.766 0.538 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.899 -10.309 -0.524 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.721 -10.685 1.553 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.767 -9.010 1.281 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.569 -9.675 2.284 1.00 25.97 H new ATOM 1020 N GLU A 64 10.541 -7.412 2.904 1.00 10.04 N ATOM 1021 CA GLU A 64 9.949 -8.213 3.959 1.00 10.94 C ATOM 1022 C GLU A 64 9.247 -7.418 5.011 1.00 9.74 C ATOM 1023 O GLU A 64 9.373 -7.641 6.223 1.00 9.42 O ATOM 1024 CB GLU A 64 10.840 -9.423 4.435 1.00 18.31 C ATOM 1025 CG GLU A 64 11.092 -10.435 3.313 1.00 24.16 C ATOM 1026 CD GLU A 64 11.843 -11.590 3.769 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.125 -11.741 4.990 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.137 -12.409 2.871 1.00 32.61 O ATOM 0 H GLU A 64 10.011 -7.448 2.033 1.00 10.04 H new ATOM 0 HA GLU A 64 9.114 -8.738 3.496 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.794 -9.046 4.803 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.352 -9.924 5.271 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.137 -10.764 2.903 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.635 -9.948 2.503 1.00 24.16 H new ATOM 1035 N SER A 65 8.494 -6.427 4.524 1.00 6.85 N ATOM 1036 CA SER A 65 7.885 -5.415 5.366 1.00 6.90 C ATOM 1037 C SER A 65 6.444 -5.264 5.276 1.00 4.72 C ATOM 1038 O SER A 65 5.902 -5.379 4.186 1.00 3.91 O ATOM 1039 CB SER A 65 8.514 -3.947 5.092 1.00 7.28 C ATOM 1040 OG SER A 65 8.122 -3.010 6.117 1.00 10.56 O ATOM 0 H SER A 65 8.294 -6.311 3.530 1.00 6.85 H new ATOM 0 HA SER A 65 8.111 -5.798 6.361 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.601 -4.016 5.055 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.185 -3.584 4.119 1.00 7.28 H new ATOM 0 HG SER A 65 8.599 -2.164 5.987 1.00 10.56 H new ATOM 1046 N THR A 66 5.714 -5.056 6.416 1.00 4.48 N ATOM 1047 CA THR A 66 4.244 -5.212 6.390 1.00 3.80 C ATOM 1048 C THR A 66 3.595 -3.836 6.629 1.00 4.60 C ATOM 1049 O THR A 66 3.938 -3.188 7.678 1.00 5.33 O ATOM 1050 CB THR A 66 3.749 -6.095 7.524 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.323 -7.387 7.378 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.236 -6.418 7.392 1.00 3.40 C ATOM 0 H THR A 66 6.107 -4.792 7.319 1.00 4.48 H new ATOM 0 HA THR A 66 3.985 -5.651 5.426 1.00 3.80 H new ATOM 0 HB THR A 66 3.991 -5.566 8.446 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.013 -7.967 8.105 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.925 -7.051 8.223 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.663 -5.491 7.408 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.056 -6.939 6.452 1.00 3.40 H new ATOM 1060 N LEU A 67 2.655 -3.348 5.819 1.00 4.17 N ATOM 1061 CA LEU A 67 2.010 -2.061 5.927 1.00 3.85 C ATOM 1062 C LEU A 67 0.562 -2.444 6.341 1.00 3.80 C ATOM 1063 O LEU A 67 0.081 -3.581 6.035 1.00 5.54 O ATOM 1064 CB LEU A 67 1.978 -1.309 4.591 1.00 7.18 C ATOM 1065 CG LEU A 67 3.261 -1.428 3.624 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.945 -0.767 2.298 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.626 -0.944 4.107 1.00 11.66 C ATOM 0 H LEU A 67 2.310 -3.884 5.023 1.00 4.17 H new ATOM 0 HA LEU A 67 2.527 -1.399 6.622 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.107 -1.655 4.034 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.819 -0.252 4.807 1.00 7.18 H new ATOM 0 HG LEU A 67 3.406 -2.507 3.570 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.809 -0.844 1.638 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.092 -1.265 1.838 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.707 0.284 2.463 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.367 -1.104 3.324 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.572 0.118 4.344 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.915 -1.501 4.998 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.129 -1.459 7.006 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.568 -1.561 7.254 1.00 4.17 C ATOM 1081 C HIS A 68 -2.304 -0.984 6.070 1.00 5.32 C ATOM 1082 O HIS A 68 -1.734 -0.333 5.160 1.00 7.70 O ATOM 1083 CB HIS A 68 -2.018 -0.751 8.503 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.214 -0.932 9.641 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.059 -0.331 9.821 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.395 -1.703 10.789 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.567 -0.815 10.981 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.275 -1.626 11.630 1.00 16.30 N ATOM 0 H HIS A 68 0.301 -0.607 7.366 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.791 -2.615 7.418 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -2.029 0.309 8.247 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -3.042 -1.030 8.750 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.507 0.339 9.196 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.281 -2.283 11.002 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.554 -0.570 11.345 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.574 -1.346 5.980 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.546 -0.940 5.008 1.00 3.97 C ATOM 1098 C LEU A 69 -5.780 -0.359 5.700 1.00 5.07 C ATOM 1099 O LEU A 69 -6.387 -0.927 6.570 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.992 -2.145 4.220 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.990 -1.844 3.068 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.390 -0.906 2.017 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.458 -3.131 2.305 1.00 9.96 C ATOM 0 H LEU A 69 -3.977 -1.994 6.657 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.093 -0.190 4.360 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.112 -2.632 3.800 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.454 -2.857 4.904 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.840 -1.379 3.567 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.123 -0.724 1.231 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.118 0.040 2.486 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.501 -1.365 1.584 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.153 -2.852 1.513 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.593 -3.630 1.869 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.954 -3.807 3.002 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.061 0.888 5.334 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.250 1.641 5.845 1.00 6.26 C ATOM 1117 C VAL A 70 -7.990 2.035 4.584 1.00 9.22 C ATOM 1118 O VAL A 70 -7.373 2.182 3.527 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.791 2.928 6.580 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.046 3.758 6.878 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.972 2.670 7.853 1.00 8.54 C ATOM 0 H VAL A 70 -5.488 1.421 4.680 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.849 1.056 6.543 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.103 3.468 5.929 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.762 4.674 7.396 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.546 4.010 5.943 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.723 3.180 7.507 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.692 3.622 8.304 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.570 2.095 8.560 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.072 2.110 7.599 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.326 2.063 4.645 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.205 2.187 3.512 1.00 16.06 C ATOM 1133 C LEU A 71 -11.199 3.356 3.592 1.00 18.09 C ATOM 1134 O LEU A 71 -11.931 3.571 4.544 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.006 0.938 3.176 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.163 -0.265 2.698 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.030 -1.469 2.302 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.206 0.033 1.512 1.00 19.57 C ATOM 0 H LEU A 71 -9.830 1.996 5.529 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.482 2.375 2.718 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.572 0.639 4.058 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.731 1.186 2.401 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.556 -0.494 3.574 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.389 -2.287 1.974 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.619 -1.792 3.161 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.699 -1.184 1.490 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.659 -0.872 1.250 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.786 0.368 0.652 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.501 0.812 1.800 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.326 4.050 2.460 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.165 5.208 2.263 1.00 25.83 C ATOM 1152 C ARG A 72 -13.532 4.845 1.858 1.00 27.74 C ATOM 1153 O ARG A 72 -14.061 5.296 0.825 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.557 6.169 1.181 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.056 6.548 1.412 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.542 7.758 0.600 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.055 9.066 1.143 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.568 10.265 0.724 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.795 10.480 -0.346 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.073 11.361 1.339 1.00 35.02 N ATOM 0 H ARG A 72 -10.813 3.796 1.616 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.211 5.716 3.226 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.652 5.699 0.202 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.149 7.084 1.154 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.911 6.756 2.472 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.440 5.682 1.170 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.452 7.764 0.611 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.850 7.653 -0.440 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.792 9.052 1.848 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.516 9.698 -0.939 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.485 11.426 -0.569 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.777 11.257 2.070 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.750 12.291 1.071 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.162 3.963 2.661 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.481 3.442 2.379 1.00 30.76 C ATOM 1176 C LEU A 73 -16.560 4.503 2.372 1.00 32.18 C ATOM 1177 O LEU A 73 -16.556 5.510 3.135 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.877 2.293 3.352 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.969 1.084 3.218 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.227 0.197 4.469 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.067 0.282 1.903 1.00 29.11 C ATOM 0 H LEU A 73 -13.753 3.601 3.523 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.413 3.041 1.368 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.840 2.660 4.378 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.907 1.994 3.157 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.943 1.448 3.168 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.596 -0.690 4.422 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.992 0.762 5.371 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.274 -0.104 4.492 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.368 -0.554 1.934 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.082 -0.097 1.783 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.820 0.930 1.062 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.572 4.312 1.548 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.799 5.144 1.619 1.00 35.33 C ATOM 1195 C ARG A 74 -19.554 5.038 2.935 1.00 36.22 C ATOM 1196 O ARG A 74 -20.009 6.015 3.502 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.705 4.797 0.363 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.063 4.777 -1.051 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.212 6.043 -1.340 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.379 5.832 -2.590 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.539 6.736 -3.199 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.362 7.951 -2.733 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.012 6.418 -4.356 1.00 41.93 N ATOM 0 H ARG A 74 -17.588 3.598 0.820 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.502 6.192 1.587 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.146 3.815 0.537 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.525 5.515 0.341 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.434 3.892 -1.148 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.849 4.693 -1.801 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.863 6.908 -1.468 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.562 6.256 -0.491 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.450 4.914 -3.030 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.856 8.252 -1.893 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.731 8.594 -3.211 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.228 5.518 -4.785 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.386 7.071 -4.828 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.674 3.762 3.336 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.445 3.409 4.492 1.00 36.07 C ATOM 1219 C GLY A 75 -19.906 3.713 5.827 1.00 36.16 C ATOM 1220 O GLY A 75 -20.458 3.441 6.881 1.00 36.26 O ATOM 0 H GLY A 75 -19.238 2.971 2.861 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.412 3.904 4.407 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.631 2.336 4.449 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.694 4.261 5.835 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.203 4.704 7.146 1.00 36.19 C ATOM 1226 C GLY A 76 -16.821 5.211 6.957 1.00 36.20 C ATOM 1227 O GLY A 76 -15.762 4.549 7.156 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.720 6.459 6.757 1.00 0.00 O ATOM 0 H GLY A 76 -18.079 4.403 5.034 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.846 5.485 7.552 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.215 3.879 7.858 1.00 36.19 H new TER 1232 GLY A 76