USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0207 (180deg=-0.27) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.251 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -19:sc= -0.907 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0246) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 175:sc= -4.5! (180deg=-4.53!) USER MOD Single : A 35 SER OG : rot 85:sc= 1.13 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-1.6) USER MOD Single : A 53 THR OG1 : rot -63:sc= 0.0727 USER MOD Single : A 57 SER OG : rot 22:sc= 0.0556 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -3 (180deg=-3.09) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.440 11.332 -5.188 1.00 3.33 N ATOM 2 CA MET A 1 0.843 11.923 -4.725 1.00 2.78 C ATOM 3 C MET A 1 1.092 11.597 -3.257 1.00 2.08 C ATOM 4 O MET A 1 2.089 10.961 -2.912 1.00 2.36 O ATOM 5 CB MET A 1 0.824 13.440 -4.921 1.00 2.93 C ATOM 6 CG MET A 1 0.634 13.862 -6.369 1.00 3.53 C ATOM 7 SD MET A 1 0.604 15.652 -6.575 1.00 4.37 S ATOM 8 CE MET A 1 0.431 15.787 -8.352 1.00 5.17 C ATOM 0 H1 MET A 1 -0.472 11.342 -6.227 1.00 3.33 H new ATOM 0 H2 MET A 1 -0.513 10.352 -4.849 1.00 3.33 H new ATOM 0 H3 MET A 1 -1.234 11.888 -4.812 1.00 3.33 H new ATOM 0 HA MET A 1 1.650 11.492 -5.318 1.00 2.78 H new ATOM 0 HB2 MET A 1 0.022 13.866 -4.318 1.00 2.93 H new ATOM 0 HB3 MET A 1 1.759 13.858 -4.549 1.00 2.93 H new ATOM 0 HG2 MET A 1 1.439 13.445 -6.973 1.00 3.53 H new ATOM 0 HG3 MET A 1 -0.298 13.442 -6.746 1.00 3.53 H new ATOM 0 HE1 MET A 1 0.398 16.839 -8.635 1.00 5.17 H new ATOM 0 HE2 MET A 1 1.281 15.307 -8.838 1.00 5.17 H new ATOM 0 HE3 MET A 1 -0.491 15.297 -8.666 1.00 5.17 H new ATOM 18 N GLN A 2 0.180 12.034 -2.395 1.00 1.56 N ATOM 19 CA GLN A 2 0.303 11.785 -0.963 1.00 0.99 C ATOM 20 C GLN A 2 -0.893 10.995 -0.443 1.00 0.83 C ATOM 21 O GLN A 2 -2.039 11.284 -0.787 1.00 1.25 O ATOM 22 CB GLN A 2 0.427 13.108 -0.205 1.00 1.05 C ATOM 23 CG GLN A 2 -0.711 14.075 -0.474 1.00 1.64 C ATOM 24 CD GLN A 2 -0.474 15.440 0.142 1.00 2.33 C ATOM 25 OE1 GLN A 2 0.103 16.326 -0.487 1.00 2.91 O ATOM 26 NE2 GLN A 2 -0.919 15.615 1.380 1.00 2.94 N ATOM 0 H GLN A 2 -0.651 12.561 -2.662 1.00 1.56 H new ATOM 0 HA GLN A 2 1.203 11.194 -0.797 1.00 0.99 H new ATOM 0 HB2 GLN A 2 0.471 12.901 0.864 1.00 1.05 H new ATOM 0 HB3 GLN A 2 1.369 13.585 -0.476 1.00 1.05 H new ATOM 0 HG2 GLN A 2 -0.843 14.184 -1.550 1.00 1.64 H new ATOM 0 HG3 GLN A 2 -1.638 13.658 -0.080 1.00 1.64 H new ATOM 0 HE21 GLN A 2 -1.392 14.852 1.864 1.00 2.94 H new ATOM 0 HE22 GLN A 2 -0.788 16.512 1.847 1.00 2.94 H new ATOM 33 N PHE A 3 -0.618 9.996 0.389 1.00 0.64 N ATOM 34 CA PHE A 3 -1.671 9.161 0.958 1.00 0.59 C ATOM 35 C PHE A 3 -1.776 9.370 2.464 1.00 0.50 C ATOM 36 O PHE A 3 -0.766 9.501 3.156 1.00 0.55 O ATOM 37 CB PHE A 3 -1.404 7.686 0.652 1.00 0.80 C ATOM 38 CG PHE A 3 -0.030 7.230 1.048 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.062 7.497 0.240 1.00 0.80 C ATOM 40 CD2 PHE A 3 0.172 6.534 2.231 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.329 7.081 0.600 1.00 1.39 C ATOM 42 CE2 PHE A 3 1.438 6.115 2.596 1.00 2.25 C ATOM 43 CZ PHE A 3 2.517 6.388 1.780 1.00 2.18 C ATOM 0 H PHE A 3 0.325 9.744 0.685 1.00 0.64 H new ATOM 0 HA PHE A 3 -2.617 9.453 0.502 1.00 0.59 H new ATOM 0 HB2 PHE A 3 -2.144 7.076 1.171 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -1.541 7.514 -0.416 1.00 0.80 H new ATOM 0 HD1 PHE A 3 0.921 8.038 -0.684 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.669 6.317 2.874 1.00 1.47 H new ATOM 0 HE1 PHE A 3 3.171 7.297 -0.040 1.00 1.39 H new ATOM 0 HE2 PHE A 3 1.583 5.574 3.520 1.00 2.25 H new ATOM 0 HZ PHE A 3 3.506 6.060 2.063 1.00 2.18 H new ATOM 52 N THR A 4 -3.006 9.401 2.965 1.00 0.53 N ATOM 53 CA THR A 4 -3.247 9.594 4.389 1.00 0.49 C ATOM 54 C THR A 4 -4.031 8.425 4.978 1.00 0.45 C ATOM 55 O THR A 4 -4.738 7.716 4.261 1.00 0.45 O ATOM 56 CB THR A 4 -4.016 10.900 4.657 1.00 0.57 C ATOM 57 OG1 THR A 4 -5.192 10.954 3.839 1.00 0.61 O ATOM 58 CG2 THR A 4 -3.140 12.110 4.379 1.00 0.66 C ATOM 0 H THR A 4 -3.852 9.295 2.405 1.00 0.53 H new ATOM 0 HA THR A 4 -2.270 9.652 4.869 1.00 0.49 H new ATOM 0 HB THR A 4 -4.306 10.916 5.708 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.676 11.787 4.017 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.705 13.021 4.575 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.263 12.080 5.026 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.823 12.098 3.336 1.00 0.66 H new ATOM 66 N PRO A 5 -3.914 8.206 6.300 1.00 0.47 N ATOM 67 CA PRO A 5 -4.616 7.116 6.982 1.00 0.51 C ATOM 68 C PRO A 5 -6.126 7.326 7.006 1.00 0.51 C ATOM 69 O PRO A 5 -6.669 7.903 7.948 1.00 0.65 O ATOM 70 CB PRO A 5 -4.047 7.156 8.402 1.00 0.62 C ATOM 71 CG PRO A 5 -3.577 8.557 8.581 1.00 0.58 C ATOM 72 CD PRO A 5 -3.094 9.004 7.230 1.00 0.53 C ATOM 0 HA PRO A 5 -4.469 6.160 6.479 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.806 6.895 9.140 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.229 6.446 8.521 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.383 9.197 8.939 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.777 8.609 9.319 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.243 10.074 7.082 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -2.030 8.809 7.098 1.00 0.53 H new ATOM 77 N ASP A 6 -6.797 6.860 5.957 1.00 0.74 N ATOM 78 CA ASP A 6 -8.245 6.994 5.852 1.00 0.84 C ATOM 79 C ASP A 6 -8.747 6.420 4.531 1.00 0.71 C ATOM 80 O ASP A 6 -9.816 5.815 4.472 1.00 0.67 O ATOM 81 CB ASP A 6 -8.656 8.463 5.971 1.00 1.07 C ATOM 82 CG ASP A 6 -10.149 8.662 5.801 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.604 8.784 4.644 1.00 2.51 O ATOM 84 OD2 ASP A 6 -10.864 8.695 6.824 1.00 2.69 O ATOM 0 H ASP A 6 -6.360 6.386 5.167 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.696 6.432 6.670 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.350 8.845 6.945 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -8.126 9.048 5.219 1.00 1.07 H new ATOM 88 N SER A 7 -7.964 6.612 3.475 1.00 0.77 N ATOM 89 CA SER A 7 -8.326 6.116 2.152 1.00 0.72 C ATOM 90 C SER A 7 -7.600 4.812 1.841 1.00 0.54 C ATOM 91 O SER A 7 -6.705 4.397 2.576 1.00 0.67 O ATOM 92 CB SER A 7 -7.998 7.162 1.085 1.00 0.96 C ATOM 93 OG SER A 7 -8.308 6.684 -0.212 1.00 1.89 O ATOM 0 H SER A 7 -7.073 7.108 3.509 1.00 0.77 H new ATOM 0 HA SER A 7 -9.399 5.923 2.146 1.00 0.72 H new ATOM 0 HB2 SER A 7 -8.559 8.075 1.283 1.00 0.96 H new ATOM 0 HB3 SER A 7 -6.940 7.420 1.137 1.00 0.96 H new ATOM 0 HG SER A 7 -8.090 7.372 -0.875 1.00 1.89 H new ATOM 98 N ALA A 8 -7.992 4.172 0.746 1.00 0.47 N ATOM 99 CA ALA A 8 -7.378 2.914 0.334 1.00 0.35 C ATOM 100 C ALA A 8 -6.392 3.137 -0.808 1.00 0.31 C ATOM 101 O ALA A 8 -6.387 4.193 -1.441 1.00 0.38 O ATOM 102 CB ALA A 8 -8.447 1.917 -0.080 1.00 0.44 C ATOM 0 H ALA A 8 -8.732 4.503 0.127 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.828 2.509 1.184 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.975 0.983 -0.385 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -9.114 1.729 0.761 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -9.020 2.323 -0.914 1.00 0.44 H new ATOM 108 N TRP A 9 -5.557 2.135 -1.064 1.00 0.30 N ATOM 109 CA TRP A 9 -4.567 2.218 -2.130 1.00 0.30 C ATOM 110 C TRP A 9 -4.195 0.825 -2.627 1.00 0.32 C ATOM 111 O TRP A 9 -4.464 -0.173 -1.959 1.00 0.39 O ATOM 112 CB TRP A 9 -3.318 2.947 -1.638 1.00 0.34 C ATOM 113 CG TRP A 9 -3.611 4.287 -1.037 1.00 0.35 C ATOM 114 CD1 TRP A 9 -4.004 4.540 0.245 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.539 5.558 -1.693 1.00 0.42 C ATOM 116 NE1 TRP A 9 -4.179 5.891 0.428 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.899 6.537 -0.747 1.00 0.42 C ATOM 118 CE3 TRP A 9 -3.202 5.967 -2.988 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.933 7.895 -1.055 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -3.237 7.314 -3.293 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.600 8.265 -2.330 1.00 0.66 C ATOM 0 H TRP A 9 -5.547 1.256 -0.547 1.00 0.30 H new ATOM 0 HA TRP A 9 -5.002 2.779 -2.958 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.812 2.327 -0.897 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.628 3.074 -2.472 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -4.156 3.788 1.005 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -4.470 6.339 1.297 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.919 5.242 -3.737 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -4.212 8.630 -0.314 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.980 7.639 -4.290 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.617 9.311 -2.599 1.00 0.66 H new ATOM 131 N LYS A 10 -3.575 0.762 -3.801 1.00 0.34 N ATOM 132 CA LYS A 10 -3.176 -0.514 -4.380 1.00 0.37 C ATOM 133 C LYS A 10 -1.663 -0.587 -4.564 1.00 0.34 C ATOM 134 O LYS A 10 -1.057 0.296 -5.174 1.00 0.34 O ATOM 135 CB LYS A 10 -3.879 -0.735 -5.718 1.00 0.43 C ATOM 136 CG LYS A 10 -3.547 -2.069 -6.366 1.00 1.01 C ATOM 137 CD LYS A 10 -4.376 -2.304 -7.618 1.00 1.03 C ATOM 138 CE LYS A 10 -5.858 -2.393 -7.294 1.00 1.28 C ATOM 139 NZ LYS A 10 -6.676 -2.663 -8.509 1.00 2.04 N ATOM 0 H LYS A 10 -3.339 1.577 -4.368 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.473 -1.303 -3.689 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -4.957 -0.672 -5.568 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.605 0.069 -6.400 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -2.487 -2.097 -6.620 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -3.726 -2.875 -5.654 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -4.205 -1.494 -8.327 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -4.052 -3.225 -8.103 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -6.023 -3.184 -6.562 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -6.186 -1.460 -6.835 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -7.681 -2.717 -8.246 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -6.539 -1.896 -9.198 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -6.381 -3.566 -8.933 1.00 2.04 H new ATOM 149 N ILE A 11 -1.061 -1.646 -4.033 1.00 0.36 N ATOM 150 CA ILE A 11 0.380 -1.845 -4.138 1.00 0.36 C ATOM 151 C ILE A 11 0.773 -2.282 -5.544 1.00 0.32 C ATOM 152 O ILE A 11 0.056 -3.044 -6.194 1.00 0.38 O ATOM 153 CB ILE A 11 0.874 -2.899 -3.121 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.584 -2.434 -1.693 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.363 -3.172 -3.301 1.00 0.43 C ATOM 156 CD1 ILE A 11 1.140 -3.359 -0.631 1.00 0.56 C ATOM 0 H ILE A 11 -1.551 -2.382 -3.524 1.00 0.36 H new ATOM 0 HA ILE A 11 0.852 -0.888 -3.916 1.00 0.36 H new ATOM 0 HB ILE A 11 0.335 -3.829 -3.303 1.00 0.41 H new ATOM 0 HG12 ILE A 11 1.004 -1.438 -1.552 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.494 -2.348 -1.560 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.687 -3.917 -2.574 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.545 -3.545 -4.309 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.923 -2.249 -3.149 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.897 -2.967 0.357 1.00 0.56 H new ATOM 0 HD12 ILE A 11 0.702 -4.350 -0.746 1.00 0.56 H new ATOM 0 HD13 ILE A 11 2.223 -3.427 -0.738 1.00 0.56 H new ATOM 167 N THR A 12 1.922 -1.790 -6.001 1.00 0.28 N ATOM 168 CA THR A 12 2.438 -2.123 -7.325 1.00 0.27 C ATOM 169 C THR A 12 3.956 -2.270 -7.276 1.00 0.27 C ATOM 170 O THR A 12 4.680 -1.652 -8.056 1.00 0.30 O ATOM 171 CB THR A 12 2.066 -1.048 -8.364 1.00 0.30 C ATOM 172 OG1 THR A 12 0.669 -0.744 -8.275 1.00 0.91 O ATOM 173 CG2 THR A 12 2.393 -1.519 -9.774 1.00 0.97 C ATOM 0 H THR A 12 2.517 -1.155 -5.469 1.00 0.28 H new ATOM 0 HA THR A 12 1.983 -3.067 -7.626 1.00 0.27 H new ATOM 0 HB THR A 12 2.650 -0.153 -8.150 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.440 -0.059 -8.937 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.121 -0.743 -10.489 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.461 -1.725 -9.850 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.832 -2.427 -9.994 1.00 0.97 H new ATOM 181 N GLY A 13 4.428 -3.092 -6.345 1.00 0.29 N ATOM 182 CA GLY A 13 5.853 -3.312 -6.192 1.00 0.33 C ATOM 183 C GLY A 13 6.538 -3.665 -7.496 1.00 0.37 C ATOM 184 O GLY A 13 6.562 -4.828 -7.899 1.00 0.45 O ATOM 0 H GLY A 13 3.844 -3.612 -5.690 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.312 -2.414 -5.778 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.017 -4.114 -5.473 1.00 0.33 H new ATOM 188 N PHE A 14 7.095 -2.657 -8.156 1.00 0.34 N ATOM 189 CA PHE A 14 7.791 -2.864 -9.418 1.00 0.41 C ATOM 190 C PHE A 14 8.943 -1.875 -9.563 1.00 0.39 C ATOM 191 O PHE A 14 8.752 -0.743 -10.007 1.00 0.43 O ATOM 192 CB PHE A 14 6.822 -2.716 -10.592 1.00 0.50 C ATOM 193 CG PHE A 14 7.441 -3.043 -11.921 1.00 0.60 C ATOM 194 CD1 PHE A 14 8.180 -2.096 -12.608 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.283 -4.302 -12.481 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.752 -2.396 -13.831 1.00 0.79 C ATOM 197 CE2 PHE A 14 7.853 -4.608 -13.702 1.00 0.81 C ATOM 198 CZ PHE A 14 8.587 -3.653 -14.378 1.00 0.81 C ATOM 0 H PHE A 14 7.078 -1.688 -7.837 1.00 0.34 H new ATOM 0 HA PHE A 14 8.197 -3.876 -9.423 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.963 -3.368 -10.429 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.446 -1.693 -10.616 1.00 0.50 H new ATOM 0 HD1 PHE A 14 8.312 -1.111 -12.184 1.00 0.69 H new ATOM 0 HD2 PHE A 14 6.708 -5.051 -11.957 1.00 0.70 H new ATOM 0 HE1 PHE A 14 9.327 -1.648 -14.357 1.00 0.79 H new ATOM 0 HE2 PHE A 14 7.725 -5.592 -14.127 1.00 0.81 H new ATOM 0 HZ PHE A 14 9.031 -3.889 -15.334 1.00 0.81 H new ATOM 207 N SER A 15 10.139 -2.309 -9.176 1.00 0.40 N ATOM 208 CA SER A 15 11.322 -1.459 -9.259 1.00 0.41 C ATOM 209 C SER A 15 12.202 -1.864 -10.434 1.00 0.43 C ATOM 210 O SER A 15 11.836 -2.732 -11.229 1.00 0.48 O ATOM 211 CB SER A 15 12.126 -1.539 -7.960 1.00 0.39 C ATOM 212 OG SER A 15 11.320 -1.222 -6.839 1.00 0.76 O ATOM 0 H SER A 15 10.314 -3.242 -8.803 1.00 0.40 H new ATOM 0 HA SER A 15 10.989 -0.433 -9.412 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.536 -2.542 -7.844 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.971 -0.853 -8.009 1.00 0.39 H new ATOM 0 HG SER A 15 10.523 -0.736 -7.136 1.00 0.76 H new ATOM 217 N ARG A 16 13.362 -1.228 -10.539 1.00 0.57 N ATOM 218 CA ARG A 16 14.297 -1.518 -11.615 1.00 0.61 C ATOM 219 C ARG A 16 15.208 -2.686 -11.248 1.00 0.59 C ATOM 220 O ARG A 16 15.755 -3.358 -12.123 1.00 0.63 O ATOM 221 CB ARG A 16 15.140 -0.281 -11.933 1.00 0.69 C ATOM 222 CG ARG A 16 14.335 0.890 -12.478 1.00 1.14 C ATOM 223 CD ARG A 16 13.308 1.387 -11.471 1.00 1.37 C ATOM 224 NE ARG A 16 12.762 2.688 -11.846 1.00 2.19 N ATOM 225 CZ ARG A 16 11.679 3.218 -11.290 1.00 2.67 C ATOM 226 NH1 ARG A 16 11.029 2.561 -10.339 1.00 2.41 N ATOM 227 NH2 ARG A 16 11.242 4.406 -11.685 1.00 3.58 N ATOM 0 H ARG A 16 13.677 -0.507 -9.890 1.00 0.57 H new ATOM 0 HA ARG A 16 13.720 -1.795 -12.497 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.658 0.036 -11.028 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.906 -0.552 -12.660 1.00 0.69 H new ATOM 0 HG2 ARG A 16 15.010 1.704 -12.741 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.829 0.588 -13.395 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.497 0.663 -11.392 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.770 1.458 -10.486 1.00 1.37 H new ATOM 0 HE ARG A 16 13.239 3.219 -12.575 1.00 2.19 H new ATOM 0 HH11 ARG A 16 11.361 1.646 -10.033 1.00 2.41 H new ATOM 0 HH12 ARG A 16 10.197 2.970 -9.913 1.00 2.41 H new ATOM 0 HH21 ARG A 16 11.738 4.914 -12.417 1.00 3.58 H new ATOM 0 HH22 ARG A 16 10.410 4.812 -11.257 1.00 3.58 H new ATOM 238 N ASP A 17 15.368 -2.926 -9.950 1.00 0.58 N ATOM 239 CA ASP A 17 16.220 -4.009 -9.477 1.00 0.63 C ATOM 240 C ASP A 17 15.738 -4.555 -8.135 1.00 0.57 C ATOM 241 O ASP A 17 16.539 -5.005 -7.317 1.00 0.62 O ATOM 242 CB ASP A 17 17.665 -3.521 -9.347 1.00 0.77 C ATOM 243 CG ASP A 17 17.774 -2.244 -8.541 1.00 1.61 C ATOM 244 OD1 ASP A 17 17.884 -2.331 -7.300 1.00 1.86 O ATOM 245 OD2 ASP A 17 17.750 -1.153 -9.149 1.00 2.48 O ATOM 0 H ASP A 17 14.920 -2.386 -9.210 1.00 0.58 H new ATOM 0 HA ASP A 17 16.170 -4.815 -10.209 1.00 0.63 H new ATOM 0 HB2 ASP A 17 18.267 -4.298 -8.875 1.00 0.77 H new ATOM 0 HB3 ASP A 17 18.081 -3.356 -10.341 1.00 0.77 H new ATOM 249 N ILE A 18 14.425 -4.523 -7.914 1.00 0.51 N ATOM 250 CA ILE A 18 13.849 -5.023 -6.669 1.00 0.50 C ATOM 251 C ILE A 18 14.424 -6.394 -6.309 1.00 0.50 C ATOM 252 O ILE A 18 14.115 -7.399 -6.950 1.00 0.57 O ATOM 253 CB ILE A 18 12.310 -5.120 -6.755 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.731 -5.699 -5.462 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.891 -5.962 -7.953 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.225 -5.848 -5.485 1.00 0.56 C ATOM 0 H ILE A 18 13.743 -4.157 -8.579 1.00 0.51 H new ATOM 0 HA ILE A 18 14.111 -4.308 -5.889 1.00 0.50 H new ATOM 0 HB ILE A 18 11.912 -4.114 -6.887 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.181 -6.674 -5.277 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.011 -5.055 -4.628 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.803 -6.018 -7.996 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.267 -5.505 -8.868 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.302 -6.966 -7.853 1.00 0.47 H new ATOM 0 HD11 ILE A 18 9.886 -6.264 -4.536 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.765 -4.872 -5.638 1.00 0.56 H new ATOM 0 HD13 ILE A 18 9.938 -6.516 -6.297 1.00 0.56 H new ATOM 267 N SER A 19 15.268 -6.422 -5.282 1.00 0.57 N ATOM 268 CA SER A 19 15.888 -7.664 -4.833 1.00 0.59 C ATOM 269 C SER A 19 14.841 -8.612 -4.253 1.00 0.52 C ATOM 270 O SER A 19 13.775 -8.177 -3.817 1.00 0.50 O ATOM 271 CB SER A 19 16.962 -7.368 -3.784 1.00 0.70 C ATOM 272 OG SER A 19 17.986 -6.548 -4.319 1.00 1.50 O ATOM 0 H SER A 19 15.538 -5.598 -4.745 1.00 0.57 H new ATOM 0 HA SER A 19 16.352 -8.145 -5.694 1.00 0.59 H new ATOM 0 HB2 SER A 19 16.509 -6.874 -2.924 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.391 -8.303 -3.425 1.00 0.70 H new ATOM 0 HG SER A 19 18.659 -6.372 -3.628 1.00 1.50 H new ATOM 277 N PRO A 20 15.130 -9.926 -4.242 1.00 0.54 N ATOM 278 CA PRO A 20 14.208 -10.933 -3.708 1.00 0.51 C ATOM 279 C PRO A 20 13.909 -10.711 -2.232 1.00 0.53 C ATOM 280 O PRO A 20 12.839 -11.070 -1.744 1.00 0.51 O ATOM 281 CB PRO A 20 14.954 -12.256 -3.910 1.00 0.55 C ATOM 282 CG PRO A 20 16.383 -11.871 -4.061 1.00 0.61 C ATOM 283 CD PRO A 20 16.374 -10.533 -4.742 1.00 0.61 C ATOM 0 HA PRO A 20 13.239 -10.901 -4.207 1.00 0.51 H new ATOM 0 HB2 PRO A 20 14.812 -12.923 -3.060 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.592 -12.783 -4.793 1.00 0.55 H new ATOM 0 HG2 PRO A 20 16.877 -11.813 -3.091 1.00 0.61 H new ATOM 0 HG3 PRO A 20 16.926 -12.608 -4.653 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.249 -9.939 -4.479 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.369 -10.631 -5.828 1.00 0.61 H new ATOM 288 N ALA A 21 14.863 -10.120 -1.520 1.00 0.58 N ATOM 289 CA ALA A 21 14.691 -9.846 -0.099 1.00 0.64 C ATOM 290 C ALA A 21 13.377 -9.115 0.151 1.00 0.62 C ATOM 291 O ALA A 21 12.629 -9.451 1.068 1.00 0.65 O ATOM 292 CB ALA A 21 15.859 -9.032 0.432 1.00 0.71 C ATOM 0 H ALA A 21 15.760 -9.823 -1.903 1.00 0.58 H new ATOM 0 HA ALA A 21 14.663 -10.798 0.432 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.713 -8.837 1.494 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.785 -9.588 0.289 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.917 -8.086 -0.106 1.00 0.71 H new ATOM 298 N TYR A 22 13.108 -8.108 -0.674 1.00 0.60 N ATOM 299 CA TYR A 22 11.883 -7.327 -0.556 1.00 0.61 C ATOM 300 C TYR A 22 10.740 -7.996 -1.313 1.00 0.54 C ATOM 301 O TYR A 22 9.602 -8.023 -0.843 1.00 0.57 O ATOM 302 CB TYR A 22 12.107 -5.910 -1.085 1.00 0.66 C ATOM 303 CG TYR A 22 13.187 -5.153 -0.345 1.00 0.90 C ATOM 304 CD1 TYR A 22 12.947 -4.617 0.915 1.00 0.99 C ATOM 305 CD2 TYR A 22 14.447 -4.978 -0.903 1.00 1.28 C ATOM 306 CE1 TYR A 22 13.932 -3.924 1.594 1.00 1.34 C ATOM 307 CE2 TYR A 22 15.436 -4.288 -0.231 1.00 1.72 C ATOM 308 CZ TYR A 22 15.176 -3.759 1.013 1.00 1.72 C ATOM 309 OH TYR A 22 16.158 -3.076 1.691 1.00 2.17 O ATOM 0 H TYR A 22 13.723 -7.814 -1.432 1.00 0.60 H new ATOM 0 HA TYR A 22 11.612 -7.273 0.498 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.370 -5.963 -2.141 1.00 0.66 H new ATOM 0 HB3 TYR A 22 11.172 -5.353 -1.017 1.00 0.66 H new ATOM 0 HD1 TYR A 22 11.976 -4.744 1.371 1.00 0.99 H new ATOM 0 HD2 TYR A 22 14.657 -5.389 -1.880 1.00 1.28 H new ATOM 0 HE1 TYR A 22 13.731 -3.514 2.573 1.00 1.34 H new ATOM 0 HE2 TYR A 22 16.410 -4.164 -0.680 1.00 1.72 H new ATOM 0 HH TYR A 22 16.973 -3.049 1.147 1.00 2.17 H new ATOM 318 N ARG A 23 11.051 -8.536 -2.489 1.00 0.48 N ATOM 319 CA ARG A 23 10.049 -9.206 -3.315 1.00 0.44 C ATOM 320 C ARG A 23 9.531 -10.465 -2.627 1.00 0.45 C ATOM 321 O ARG A 23 8.342 -10.576 -2.329 1.00 0.45 O ATOM 322 CB ARG A 23 10.640 -9.563 -4.681 1.00 0.45 C ATOM 323 CG ARG A 23 9.673 -10.307 -5.588 1.00 0.54 C ATOM 324 CD ARG A 23 8.487 -9.437 -5.972 1.00 0.53 C ATOM 325 NE ARG A 23 7.588 -10.115 -6.902 1.00 0.70 N ATOM 326 CZ ARG A 23 6.703 -9.481 -7.664 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.607 -8.160 -7.611 1.00 1.57 N ATOM 328 NH2 ARG A 23 5.918 -10.167 -8.483 1.00 1.47 N ATOM 0 H ARG A 23 11.988 -8.523 -2.891 1.00 0.48 H new ATOM 0 HA ARG A 23 9.213 -8.521 -3.456 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.961 -8.648 -5.179 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.530 -10.175 -4.534 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.194 -10.632 -6.489 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.318 -11.206 -5.084 1.00 0.54 H new ATOM 0 HD2 ARG A 23 7.936 -9.158 -5.074 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.847 -8.513 -6.425 1.00 0.53 H new ATOM 0 HE ARG A 23 7.642 -11.131 -6.970 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.213 -7.629 -6.985 1.00 1.57 H new ATOM 0 HH12 ARG A 23 5.927 -7.674 -8.196 1.00 1.57 H new ATOM 0 HH21 ARG A 23 5.993 -11.183 -8.529 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.239 -9.679 -9.067 1.00 1.47 H new ATOM 339 N GLN A 24 10.431 -11.412 -2.377 1.00 0.49 N ATOM 340 CA GLN A 24 10.064 -12.661 -1.721 1.00 0.55 C ATOM 341 C GLN A 24 9.257 -12.392 -0.453 1.00 0.58 C ATOM 342 O GLN A 24 8.312 -13.115 -0.140 1.00 0.66 O ATOM 343 CB GLN A 24 11.316 -13.473 -1.379 1.00 0.69 C ATOM 344 CG GLN A 24 11.013 -14.789 -0.682 1.00 1.52 C ATOM 345 CD GLN A 24 12.269 -15.553 -0.303 1.00 2.03 C ATOM 346 OE1 GLN A 24 12.814 -15.370 0.786 1.00 2.61 O ATOM 347 NE2 GLN A 24 12.730 -16.416 -1.200 1.00 2.69 N ATOM 0 H GLN A 24 11.419 -11.337 -2.619 1.00 0.49 H new ATOM 0 HA GLN A 24 9.446 -13.235 -2.411 1.00 0.55 H new ATOM 0 HB2 GLN A 24 11.870 -13.676 -2.296 1.00 0.69 H new ATOM 0 HB3 GLN A 24 11.965 -12.874 -0.740 1.00 0.69 H new ATOM 0 HG2 GLN A 24 10.427 -14.594 0.216 1.00 1.52 H new ATOM 0 HG3 GLN A 24 10.399 -15.409 -1.335 1.00 1.52 H new ATOM 0 HE21 GLN A 24 12.245 -16.535 -2.090 1.00 2.69 H new ATOM 0 HE22 GLN A 24 13.569 -16.961 -1.000 1.00 2.69 H new ATOM 354 N LYS A 25 9.641 -11.345 0.272 1.00 0.59 N ATOM 355 CA LYS A 25 8.956 -10.973 1.503 1.00 0.68 C ATOM 356 C LYS A 25 7.459 -10.811 1.261 1.00 0.61 C ATOM 357 O LYS A 25 6.642 -11.502 1.870 1.00 0.71 O ATOM 358 CB LYS A 25 9.538 -9.671 2.053 1.00 0.79 C ATOM 359 CG LYS A 25 9.314 -9.485 3.543 1.00 0.99 C ATOM 360 CD LYS A 25 9.990 -8.221 4.049 1.00 1.43 C ATOM 361 CE LYS A 25 10.242 -8.291 5.544 1.00 2.05 C ATOM 362 NZ LYS A 25 8.978 -8.433 6.318 1.00 2.59 N ATOM 0 H LYS A 25 10.424 -10.739 0.027 1.00 0.59 H new ATOM 0 HA LYS A 25 9.104 -11.769 2.232 1.00 0.68 H new ATOM 0 HB2 LYS A 25 10.609 -9.647 1.850 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.093 -8.831 1.520 1.00 0.79 H new ATOM 0 HG2 LYS A 25 8.245 -9.436 3.749 1.00 0.99 H new ATOM 0 HG3 LYS A 25 9.703 -10.349 4.082 1.00 0.99 H new ATOM 0 HD2 LYS A 25 10.935 -8.077 3.525 1.00 1.43 H new ATOM 0 HD3 LYS A 25 9.365 -7.357 3.823 1.00 1.43 H new ATOM 0 HE2 LYS A 25 10.897 -9.135 5.762 1.00 2.05 H new ATOM 0 HE3 LYS A 25 10.765 -7.390 5.866 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 9.188 -8.392 7.336 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 8.328 -7.661 6.067 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 8.534 -9.346 6.093 1.00 2.59 H new ATOM 372 N LEU A 26 7.107 -9.893 0.366 1.00 0.55 N ATOM 373 CA LEU A 26 5.709 -9.641 0.040 1.00 0.57 C ATOM 374 C LEU A 26 5.038 -10.910 -0.476 1.00 0.60 C ATOM 375 O LEU A 26 3.916 -11.232 -0.086 1.00 0.68 O ATOM 376 CB LEU A 26 5.597 -8.530 -1.005 1.00 0.55 C ATOM 377 CG LEU A 26 6.259 -7.208 -0.616 1.00 0.69 C ATOM 378 CD1 LEU A 26 5.983 -6.144 -1.669 1.00 1.30 C ATOM 379 CD2 LEU A 26 5.769 -6.750 0.751 1.00 1.29 C ATOM 0 H LEU A 26 7.771 -9.312 -0.146 1.00 0.55 H new ATOM 0 HA LEU A 26 5.200 -9.323 0.950 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.042 -8.881 -1.936 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.542 -8.345 -1.205 1.00 0.55 H new ATOM 0 HG LEU A 26 7.336 -7.363 -0.560 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.462 -5.209 -1.376 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.382 -6.470 -2.629 1.00 1.30 H new ATOM 0 HD13 LEU A 26 4.908 -5.989 -1.757 1.00 1.30 H new ATOM 0 HD21 LEU A 26 6.250 -5.808 1.013 1.00 1.29 H new ATOM 0 HD22 LEU A 26 4.688 -6.610 0.722 1.00 1.29 H new ATOM 0 HD23 LEU A 26 6.017 -7.504 1.498 1.00 1.29 H new ATOM 390 N LEU A 27 5.731 -11.625 -1.355 1.00 0.59 N ATOM 391 CA LEU A 27 5.204 -12.859 -1.918 1.00 0.71 C ATOM 392 C LEU A 27 4.776 -13.817 -0.811 1.00 0.82 C ATOM 393 O LEU A 27 3.861 -14.621 -0.992 1.00 0.95 O ATOM 394 CB LEU A 27 6.249 -13.529 -2.811 1.00 0.75 C ATOM 395 CG LEU A 27 6.663 -12.721 -4.041 1.00 0.71 C ATOM 396 CD1 LEU A 27 7.725 -13.463 -4.837 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.453 -12.425 -4.912 1.00 0.77 C ATOM 0 H LEU A 27 6.659 -11.370 -1.692 1.00 0.59 H new ATOM 0 HA LEU A 27 4.331 -12.610 -2.521 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.138 -13.734 -2.214 1.00 0.75 H new ATOM 0 HB3 LEU A 27 5.859 -14.491 -3.142 1.00 0.75 H new ATOM 0 HG LEU A 27 7.087 -11.775 -3.705 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.006 -12.871 -5.708 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.602 -13.626 -4.210 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.329 -14.425 -5.164 1.00 0.82 H new ATOM 0 HD21 LEU A 27 5.764 -11.849 -5.784 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.002 -13.362 -5.238 1.00 0.77 H new ATOM 0 HD23 LEU A 27 4.724 -11.851 -4.339 1.00 0.77 H new ATOM 408 N SER A 28 5.443 -13.723 0.336 1.00 0.84 N ATOM 409 CA SER A 28 5.133 -14.581 1.473 1.00 0.98 C ATOM 410 C SER A 28 3.748 -14.266 2.027 1.00 0.89 C ATOM 411 O SER A 28 3.006 -15.166 2.424 1.00 0.99 O ATOM 412 CB SER A 28 6.187 -14.411 2.570 1.00 1.15 C ATOM 413 OG SER A 28 5.945 -15.290 3.655 1.00 1.64 O ATOM 0 H SER A 28 6.201 -13.061 0.502 1.00 0.84 H new ATOM 0 HA SER A 28 5.141 -15.616 1.130 1.00 0.98 H new ATOM 0 HB2 SER A 28 7.178 -14.602 2.158 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.183 -13.381 2.926 1.00 1.15 H new ATOM 0 HG SER A 28 6.634 -15.161 4.340 1.00 1.64 H new ATOM 418 N LEU A 29 3.402 -12.982 2.050 1.00 0.78 N ATOM 419 CA LEU A 29 2.103 -12.548 2.553 1.00 0.78 C ATOM 420 C LEU A 29 1.053 -12.581 1.447 1.00 0.74 C ATOM 421 O LEU A 29 -0.143 -12.698 1.717 1.00 0.82 O ATOM 422 CB LEU A 29 2.203 -11.136 3.134 1.00 0.86 C ATOM 423 CG LEU A 29 3.241 -10.960 4.242 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.236 -9.527 4.754 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.978 -11.934 5.380 1.00 1.42 C ATOM 0 H LEU A 29 4.003 -12.224 1.726 1.00 0.78 H new ATOM 0 HA LEU A 29 1.798 -13.237 3.341 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.437 -10.444 2.325 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.226 -10.851 3.525 1.00 0.86 H new ATOM 0 HG LEU A 29 4.226 -11.174 3.828 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.981 -9.420 5.542 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.473 -8.847 3.936 1.00 1.64 H new ATOM 0 HD13 LEU A 29 2.250 -9.286 5.151 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.727 -11.794 6.159 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.986 -11.752 5.793 1.00 1.42 H new ATOM 0 HD23 LEU A 29 3.032 -12.956 5.004 1.00 1.42 H new ATOM 436 N GLY A 30 1.506 -12.477 0.202 1.00 0.68 N ATOM 437 CA GLY A 30 0.594 -12.496 -0.925 1.00 0.73 C ATOM 438 C GLY A 30 0.377 -11.120 -1.527 1.00 0.71 C ATOM 439 O GLY A 30 -0.573 -10.910 -2.281 1.00 0.82 O ATOM 0 H GLY A 30 2.491 -12.380 -0.046 1.00 0.68 H new ATOM 0 HA2 GLY A 30 0.984 -13.166 -1.691 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.365 -12.903 -0.604 1.00 0.73 H new ATOM 443 N MET A 31 1.258 -10.180 -1.199 1.00 0.63 N ATOM 444 CA MET A 31 1.154 -8.822 -1.714 1.00 0.66 C ATOM 445 C MET A 31 1.945 -8.665 -3.008 1.00 0.56 C ATOM 446 O MET A 31 3.133 -8.342 -2.990 1.00 0.54 O ATOM 447 CB MET A 31 1.654 -7.823 -0.670 1.00 0.74 C ATOM 448 CG MET A 31 0.907 -7.902 0.651 1.00 0.94 C ATOM 449 SD MET A 31 -0.874 -7.691 0.457 1.00 1.95 S ATOM 450 CE MET A 31 -0.947 -6.034 -0.219 1.00 2.55 C ATOM 0 H MET A 31 2.052 -10.336 -0.578 1.00 0.63 H new ATOM 0 HA MET A 31 0.105 -8.620 -1.929 1.00 0.66 H new ATOM 0 HB2 MET A 31 2.715 -7.998 -0.490 1.00 0.74 H new ATOM 0 HB3 MET A 31 1.561 -6.814 -1.071 1.00 0.74 H new ATOM 0 HG2 MET A 31 1.106 -8.866 1.119 1.00 0.94 H new ATOM 0 HG3 MET A 31 1.288 -7.136 1.326 1.00 0.94 H new ATOM 0 HE1 MET A 31 -1.978 -5.791 -0.477 1.00 2.55 H new ATOM 0 HE2 MET A 31 -0.581 -5.323 0.521 1.00 2.55 H new ATOM 0 HE3 MET A 31 -0.327 -5.978 -1.113 1.00 2.55 H new ATOM 458 N LEU A 32 1.278 -8.907 -4.131 1.00 0.56 N ATOM 459 CA LEU A 32 1.909 -8.792 -5.442 1.00 0.49 C ATOM 460 C LEU A 32 1.390 -7.562 -6.182 1.00 0.44 C ATOM 461 O LEU A 32 0.338 -7.024 -5.837 1.00 0.45 O ATOM 462 CB LEU A 32 1.642 -10.053 -6.270 1.00 0.52 C ATOM 463 CG LEU A 32 2.438 -11.290 -5.846 1.00 0.59 C ATOM 464 CD1 LEU A 32 2.156 -11.639 -4.391 1.00 0.69 C ATOM 465 CD2 LEU A 32 2.109 -12.469 -6.750 1.00 0.66 C ATOM 0 H LEU A 32 0.297 -9.185 -4.160 1.00 0.56 H new ATOM 0 HA LEU A 32 2.984 -8.683 -5.298 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.579 -10.287 -6.214 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.866 -9.837 -7.315 1.00 0.52 H new ATOM 0 HG LEU A 32 3.500 -11.064 -5.943 1.00 0.59 H new ATOM 0 HD11 LEU A 32 2.732 -12.521 -4.110 1.00 0.69 H new ATOM 0 HD12 LEU A 32 2.441 -10.802 -3.754 1.00 0.69 H new ATOM 0 HD13 LEU A 32 1.093 -11.845 -4.266 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.683 -13.340 -6.435 1.00 0.66 H new ATOM 0 HD22 LEU A 32 1.044 -12.693 -6.683 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.364 -12.220 -7.780 1.00 0.66 H new ATOM 476 N PRO A 33 2.120 -7.101 -7.213 1.00 0.41 N ATOM 477 CA PRO A 33 1.721 -5.930 -7.996 1.00 0.40 C ATOM 478 C PRO A 33 0.229 -5.931 -8.308 1.00 0.38 C ATOM 479 O PRO A 33 -0.252 -6.743 -9.099 1.00 0.51 O ATOM 480 CB PRO A 33 2.543 -6.074 -9.272 1.00 0.43 C ATOM 481 CG PRO A 33 3.783 -6.778 -8.839 1.00 0.45 C ATOM 482 CD PRO A 33 3.387 -7.682 -7.699 1.00 0.43 C ATOM 0 HA PRO A 33 1.896 -4.994 -7.466 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.005 -6.646 -10.028 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.771 -5.102 -9.710 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.209 -7.354 -9.661 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.543 -6.064 -8.522 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.253 -8.711 -8.032 1.00 0.43 H new ATOM 0 HD3 PRO A 33 4.146 -7.696 -6.917 1.00 0.43 H new ATOM 487 N GLY A 34 -0.496 -5.016 -7.677 1.00 0.34 N ATOM 488 CA GLY A 34 -1.929 -4.929 -7.886 1.00 0.33 C ATOM 489 C GLY A 34 -2.708 -5.426 -6.688 1.00 0.31 C ATOM 490 O GLY A 34 -3.765 -6.037 -6.834 1.00 0.40 O ATOM 0 H GLY A 34 -0.117 -4.331 -7.023 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.203 -3.894 -8.093 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.203 -5.513 -8.764 1.00 0.33 H new ATOM 494 N SER A 35 -2.179 -5.163 -5.496 1.00 0.28 N ATOM 495 CA SER A 35 -2.826 -5.595 -4.260 1.00 0.28 C ATOM 496 C SER A 35 -3.454 -4.410 -3.531 1.00 0.28 C ATOM 497 O SER A 35 -2.837 -3.356 -3.397 1.00 0.37 O ATOM 498 CB SER A 35 -1.816 -6.294 -3.348 1.00 0.31 C ATOM 499 OG SER A 35 -1.215 -7.397 -4.003 1.00 0.62 O ATOM 0 H SER A 35 -1.306 -4.654 -5.360 1.00 0.28 H new ATOM 0 HA SER A 35 -3.617 -6.298 -4.520 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.046 -5.585 -3.042 1.00 0.31 H new ATOM 0 HB3 SER A 35 -2.315 -6.634 -2.441 1.00 0.31 H new ATOM 0 HG SER A 35 -0.456 -7.085 -4.539 1.00 0.62 H new ATOM 504 N SER A 36 -4.682 -4.595 -3.057 1.00 0.25 N ATOM 505 CA SER A 36 -5.395 -3.541 -2.344 1.00 0.25 C ATOM 506 C SER A 36 -5.124 -3.609 -0.843 1.00 0.23 C ATOM 507 O SER A 36 -4.919 -4.690 -0.288 1.00 0.28 O ATOM 508 CB SER A 36 -6.898 -3.649 -2.607 1.00 0.30 C ATOM 509 OG SER A 36 -7.185 -3.519 -3.989 1.00 1.30 O ATOM 0 H SER A 36 -5.204 -5.466 -3.154 1.00 0.25 H new ATOM 0 HA SER A 36 -5.033 -2.582 -2.713 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.266 -4.609 -2.245 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.425 -2.875 -2.049 1.00 0.30 H new ATOM 0 HG SER A 36 -8.152 -3.593 -4.131 1.00 1.30 H new ATOM 514 N PHE A 37 -5.125 -2.448 -0.194 1.00 0.22 N ATOM 515 CA PHE A 37 -4.881 -2.375 1.244 1.00 0.23 C ATOM 516 C PHE A 37 -5.345 -1.036 1.807 1.00 0.23 C ATOM 517 O PHE A 37 -5.841 -0.180 1.075 1.00 0.33 O ATOM 518 CB PHE A 37 -3.394 -2.575 1.541 1.00 0.25 C ATOM 519 CG PHE A 37 -2.525 -1.456 1.037 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.284 -1.304 -0.319 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.954 -0.556 1.921 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.487 -0.276 -0.784 1.00 0.36 C ATOM 523 CE2 PHE A 37 -1.156 0.475 1.462 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.918 0.610 0.104 1.00 0.33 C ATOM 0 H PHE A 37 -5.292 -1.546 -0.640 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.452 -3.170 1.724 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -3.257 -2.674 2.618 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -3.065 -3.511 1.090 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.724 -1.997 -1.020 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -2.134 -0.661 2.981 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.310 -0.167 -1.844 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.719 1.174 2.160 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.287 1.409 -0.258 1.00 0.33 H new ATOM 533 N HIS A 38 -5.183 -0.862 3.116 1.00 0.21 N ATOM 534 CA HIS A 38 -5.579 0.373 3.780 1.00 0.24 C ATOM 535 C HIS A 38 -4.410 0.969 4.558 1.00 0.24 C ATOM 536 O HIS A 38 -3.507 0.253 4.985 1.00 0.40 O ATOM 537 CB HIS A 38 -6.757 0.117 4.723 1.00 0.28 C ATOM 538 CG HIS A 38 -8.003 -0.325 4.019 1.00 1.17 C ATOM 539 ND1 HIS A 38 -8.311 -1.650 3.794 1.00 2.13 N ATOM 540 CD2 HIS A 38 -9.025 0.393 3.490 1.00 1.98 C ATOM 541 CE1 HIS A 38 -9.467 -1.729 3.158 1.00 2.94 C ATOM 542 NE2 HIS A 38 -9.919 -0.505 2.962 1.00 2.82 N ATOM 0 H HIS A 38 -4.779 -1.563 3.737 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.886 1.086 3.014 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -6.471 -0.643 5.450 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.969 1.029 5.282 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -9.118 1.469 3.485 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.958 -2.641 2.851 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -10.792 -0.265 2.493 1.00 2.82 H new ATOM 550 N VAL A 39 -4.436 2.286 4.738 1.00 0.27 N ATOM 551 CA VAL A 39 -3.374 2.978 5.462 1.00 0.27 C ATOM 552 C VAL A 39 -3.714 3.114 6.941 1.00 0.28 C ATOM 553 O VAL A 39 -4.865 3.357 7.304 1.00 0.40 O ATOM 554 CB VAL A 39 -3.115 4.377 4.875 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.972 5.060 5.611 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.819 4.285 3.385 1.00 0.88 C ATOM 0 H VAL A 39 -5.179 2.895 4.394 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.473 2.374 5.355 1.00 0.27 H new ATOM 0 HB VAL A 39 -4.014 4.979 5.007 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.802 6.048 5.183 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.227 5.160 6.666 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -1.066 4.462 5.512 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.639 5.284 2.988 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.935 3.667 3.227 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.671 3.839 2.872 1.00 0.88 H new ATOM 566 N VAL A 40 -2.705 2.954 7.792 1.00 0.24 N ATOM 567 CA VAL A 40 -2.899 3.062 9.234 1.00 0.34 C ATOM 568 C VAL A 40 -2.420 4.412 9.758 1.00 0.37 C ATOM 569 O VAL A 40 -3.100 5.053 10.560 1.00 0.54 O ATOM 570 CB VAL A 40 -2.156 1.938 9.984 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.372 2.062 11.484 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.610 0.575 9.485 1.00 0.43 C ATOM 0 H VAL A 40 -1.747 2.750 7.509 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.969 2.967 9.417 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.089 2.037 9.785 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.840 1.260 11.996 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.994 3.025 11.828 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.437 1.990 11.705 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.076 -0.207 10.025 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.681 0.464 9.653 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.399 0.489 8.419 1.00 0.43 H new ATOM 582 N ARG A 41 -1.246 4.838 9.305 1.00 0.27 N ATOM 583 CA ARG A 41 -0.681 6.113 9.735 1.00 0.31 C ATOM 584 C ARG A 41 0.617 6.414 8.991 1.00 0.31 C ATOM 585 O ARG A 41 1.607 5.698 9.135 1.00 0.40 O ATOM 586 CB ARG A 41 -0.431 6.098 11.244 1.00 0.40 C ATOM 587 CG ARG A 41 0.486 4.974 11.702 1.00 0.47 C ATOM 588 CD ARG A 41 0.689 5.001 13.207 1.00 0.57 C ATOM 589 NE ARG A 41 1.263 6.266 13.657 1.00 1.37 N ATOM 590 CZ ARG A 41 1.433 6.585 14.936 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.086 5.728 15.887 1.00 0.94 N ATOM 592 NH2 ARG A 41 1.952 7.759 15.263 1.00 2.80 N ATOM 0 H ARG A 41 -0.668 4.321 8.642 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.399 6.899 9.501 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.003 7.053 11.541 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.387 6.008 11.761 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.062 4.014 11.408 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.450 5.063 11.202 1.00 0.47 H new ATOM 0 HD2 ARG A 41 -0.267 4.839 13.705 1.00 0.57 H new ATOM 0 HD3 ARG A 41 1.344 4.181 13.500 1.00 0.57 H new ATOM 0 HE ARG A 41 1.550 6.943 12.950 1.00 1.37 H new ATOM 0 HH11 ARG A 41 0.688 4.823 15.637 1.00 0.94 H new ATOM 0 HH12 ARG A 41 1.217 5.974 16.868 1.00 0.94 H new ATOM 0 HH21 ARG A 41 2.221 8.419 14.533 1.00 2.80 H new ATOM 0 HH22 ARG A 41 2.082 8.003 16.245 1.00 2.80 H new ATOM 603 N VAL A 42 0.605 7.478 8.195 1.00 0.33 N ATOM 604 CA VAL A 42 1.781 7.872 7.431 1.00 0.39 C ATOM 605 C VAL A 42 2.010 9.377 7.511 1.00 0.43 C ATOM 606 O VAL A 42 1.093 10.140 7.810 1.00 0.49 O ATOM 607 CB VAL A 42 1.656 7.463 5.949 1.00 0.52 C ATOM 608 CG1 VAL A 42 0.503 8.197 5.285 1.00 0.97 C ATOM 609 CG2 VAL A 42 2.961 7.724 5.210 1.00 1.20 C ATOM 0 H VAL A 42 -0.206 8.082 8.063 1.00 0.33 H new ATOM 0 HA VAL A 42 2.631 7.352 7.873 1.00 0.39 H new ATOM 0 HB VAL A 42 1.447 6.394 5.904 1.00 0.52 H new ATOM 0 HG11 VAL A 42 0.432 7.894 4.240 1.00 0.97 H new ATOM 0 HG12 VAL A 42 -0.427 7.952 5.797 1.00 0.97 H new ATOM 0 HG13 VAL A 42 0.676 9.272 5.340 1.00 0.97 H new ATOM 0 HG21 VAL A 42 2.853 7.429 4.166 1.00 1.20 H new ATOM 0 HG22 VAL A 42 3.204 8.785 5.264 1.00 1.20 H new ATOM 0 HG23 VAL A 42 3.762 7.145 5.670 1.00 1.20 H new ATOM 619 N ALA A 43 3.242 9.793 7.243 1.00 0.47 N ATOM 620 CA ALA A 43 3.598 11.206 7.283 1.00 0.55 C ATOM 621 C ALA A 43 3.791 11.763 5.877 1.00 0.69 C ATOM 622 O ALA A 43 4.231 11.051 4.974 1.00 0.81 O ATOM 623 CB ALA A 43 4.857 11.408 8.113 1.00 0.55 C ATOM 0 H ALA A 43 4.012 9.171 6.995 1.00 0.47 H new ATOM 0 HA ALA A 43 2.777 11.751 7.750 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.112 12.467 8.135 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.683 11.055 9.130 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.679 10.846 7.670 1.00 0.55 H new ATOM 629 N PRO A 44 3.464 13.051 5.673 1.00 0.83 N ATOM 630 CA PRO A 44 3.603 13.704 4.367 1.00 1.00 C ATOM 631 C PRO A 44 5.061 13.930 3.975 1.00 0.98 C ATOM 632 O PRO A 44 5.366 14.190 2.811 1.00 1.15 O ATOM 633 CB PRO A 44 2.890 15.044 4.562 1.00 1.14 C ATOM 634 CG PRO A 44 2.983 15.313 6.024 1.00 1.34 C ATOM 635 CD PRO A 44 2.934 13.969 6.698 1.00 1.00 C ATOM 0 HA PRO A 44 3.187 13.094 3.565 1.00 1.00 H new ATOM 0 HB2 PRO A 44 3.367 15.834 3.983 1.00 1.14 H new ATOM 0 HB3 PRO A 44 1.852 14.991 4.234 1.00 1.14 H new ATOM 0 HG2 PRO A 44 3.908 15.837 6.266 1.00 1.34 H new ATOM 0 HG3 PRO A 44 2.161 15.946 6.357 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.540 13.952 7.604 1.00 1.00 H new ATOM 0 HD3 PRO A 44 1.918 13.703 6.989 1.00 1.00 H new ATOM 640 N LEU A 45 5.960 13.828 4.950 1.00 0.85 N ATOM 641 CA LEU A 45 7.383 14.027 4.700 1.00 0.90 C ATOM 642 C LEU A 45 8.086 12.700 4.431 1.00 0.91 C ATOM 643 O LEU A 45 8.450 12.397 3.295 1.00 1.23 O ATOM 644 CB LEU A 45 8.038 14.730 5.890 1.00 0.90 C ATOM 645 CG LEU A 45 9.536 15.000 5.736 1.00 1.76 C ATOM 646 CD1 LEU A 45 9.800 15.848 4.503 1.00 2.51 C ATOM 647 CD2 LEU A 45 10.085 15.679 6.982 1.00 2.25 C ATOM 0 H LEU A 45 5.728 13.609 5.919 1.00 0.85 H new ATOM 0 HA LEU A 45 7.482 14.654 3.814 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.528 15.679 6.058 1.00 0.90 H new ATOM 0 HB3 LEU A 45 7.883 14.123 6.782 1.00 0.90 H new ATOM 0 HG LEU A 45 10.048 14.046 5.611 1.00 1.76 H new ATOM 0 HD11 LEU A 45 10.871 16.030 4.409 1.00 2.51 H new ATOM 0 HD12 LEU A 45 9.442 15.323 3.617 1.00 2.51 H new ATOM 0 HD13 LEU A 45 9.277 16.800 4.597 1.00 2.51 H new ATOM 0 HD21 LEU A 45 11.152 15.864 6.856 1.00 2.25 H new ATOM 0 HD22 LEU A 45 9.569 16.626 7.138 1.00 2.25 H new ATOM 0 HD23 LEU A 45 9.928 15.034 7.847 1.00 2.25 H new ATOM 658 N GLY A 46 8.275 11.913 5.485 1.00 0.72 N ATOM 659 CA GLY A 46 8.936 10.629 5.346 1.00 0.72 C ATOM 660 C GLY A 46 9.012 9.873 6.658 1.00 0.66 C ATOM 661 O GLY A 46 9.961 10.039 7.425 1.00 0.77 O ATOM 0 H GLY A 46 7.982 12.142 6.435 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.401 10.026 4.613 1.00 0.72 H new ATOM 0 HA3 GLY A 46 9.943 10.782 4.959 1.00 0.72 H new ATOM 665 N ASP A 47 8.011 9.039 6.918 1.00 0.53 N ATOM 666 CA ASP A 47 7.961 8.255 8.147 1.00 0.49 C ATOM 667 C ASP A 47 7.505 6.827 7.864 1.00 0.46 C ATOM 668 O ASP A 47 7.084 6.512 6.752 1.00 0.46 O ATOM 669 CB ASP A 47 7.025 8.925 9.156 1.00 0.45 C ATOM 670 CG ASP A 47 7.590 10.223 9.696 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.343 11.281 9.078 1.00 0.94 O ATOM 672 OD2 ASP A 47 8.278 10.184 10.738 1.00 1.07 O ATOM 0 H ASP A 47 7.220 8.888 6.291 1.00 0.53 H new ATOM 0 HA ASP A 47 8.965 8.210 8.570 1.00 0.49 H new ATOM 0 HB2 ASP A 47 6.064 9.120 8.681 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.838 8.241 9.984 1.00 0.45 H new ATOM 676 N PRO A 48 7.581 5.940 8.872 1.00 0.47 N ATOM 677 CA PRO A 48 7.175 4.547 8.732 1.00 0.47 C ATOM 678 C PRO A 48 5.679 4.368 8.948 1.00 0.37 C ATOM 679 O PRO A 48 5.154 4.644 10.026 1.00 0.38 O ATOM 680 CB PRO A 48 7.964 3.823 9.836 1.00 0.56 C ATOM 681 CG PRO A 48 8.715 4.885 10.586 1.00 0.61 C ATOM 682 CD PRO A 48 8.094 6.203 10.214 1.00 0.53 C ATOM 0 HA PRO A 48 7.375 4.163 7.732 1.00 0.47 H new ATOM 0 HB2 PRO A 48 7.292 3.279 10.501 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.649 3.092 9.408 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.651 4.717 11.661 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.773 4.869 10.324 1.00 0.61 H new ATOM 0 HD2 PRO A 48 7.300 6.487 10.904 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.824 7.012 10.218 1.00 0.53 H new ATOM 687 N VAL A 49 5.002 3.901 7.907 1.00 0.32 N ATOM 688 CA VAL A 49 3.562 3.689 7.955 1.00 0.26 C ATOM 689 C VAL A 49 3.229 2.199 7.941 1.00 0.28 C ATOM 690 O VAL A 49 4.000 1.383 7.439 1.00 0.39 O ATOM 691 CB VAL A 49 2.873 4.393 6.766 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.591 4.058 5.467 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.395 4.026 6.681 1.00 0.31 C ATOM 0 H VAL A 49 5.431 3.660 7.013 1.00 0.32 H new ATOM 0 HA VAL A 49 3.190 4.118 8.886 1.00 0.26 H new ATOM 0 HB VAL A 49 2.933 5.469 6.930 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.095 4.561 4.637 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.627 4.392 5.527 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.567 2.980 5.305 1.00 0.35 H new ATOM 0 HG21 VAL A 49 0.941 4.539 5.833 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.295 2.949 6.550 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.892 4.328 7.600 1.00 0.31 H new ATOM 703 N HIS A 50 2.070 1.859 8.496 1.00 0.29 N ATOM 704 CA HIS A 50 1.627 0.471 8.551 1.00 0.31 C ATOM 705 C HIS A 50 0.457 0.241 7.601 1.00 0.29 C ATOM 706 O HIS A 50 -0.489 1.025 7.566 1.00 0.31 O ATOM 707 CB HIS A 50 1.223 0.100 9.978 1.00 0.34 C ATOM 708 CG HIS A 50 2.349 0.181 10.959 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.776 1.366 11.518 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.138 -0.787 11.482 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.781 1.125 12.342 1.00 0.85 C ATOM 712 NE2 HIS A 50 4.018 -0.173 12.339 1.00 0.68 N ATOM 0 H HIS A 50 1.421 2.526 8.914 1.00 0.29 H new ATOM 0 HA HIS A 50 2.456 -0.165 8.241 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.420 0.762 10.303 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.821 -0.913 9.981 1.00 0.34 H new ATOM 0 HD2 HIS A 50 3.085 -1.844 11.266 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.317 1.864 12.919 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.739 -0.644 12.885 1.00 0.68 H new ATOM 720 N ILE A 51 0.530 -0.840 6.830 1.00 0.32 N ATOM 721 CA ILE A 51 -0.526 -1.172 5.881 1.00 0.32 C ATOM 722 C ILE A 51 -1.375 -2.331 6.390 1.00 0.32 C ATOM 723 O ILE A 51 -0.866 -3.256 7.023 1.00 0.31 O ATOM 724 CB ILE A 51 0.052 -1.546 4.504 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.938 -2.786 4.621 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.832 -0.380 3.918 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.433 -3.304 3.288 1.00 0.36 C ATOM 0 H ILE A 51 1.308 -1.499 6.844 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.148 -0.283 5.777 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.774 -1.775 3.830 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.796 -2.551 5.252 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.379 -3.576 5.124 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.233 -0.663 2.945 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.171 0.479 3.802 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.652 -0.119 4.586 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.055 -4.185 3.448 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.581 -3.570 2.662 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.020 -2.531 2.792 1.00 0.36 H new ATOM 738 N GLU A 52 -2.672 -2.277 6.107 1.00 0.36 N ATOM 739 CA GLU A 52 -3.594 -3.324 6.531 1.00 0.39 C ATOM 740 C GLU A 52 -4.104 -4.111 5.328 1.00 0.42 C ATOM 741 O GLU A 52 -4.873 -3.594 4.519 1.00 0.43 O ATOM 742 CB GLU A 52 -4.769 -2.719 7.299 1.00 0.45 C ATOM 743 CG GLU A 52 -5.801 -3.744 7.738 1.00 1.01 C ATOM 744 CD GLU A 52 -6.915 -3.132 8.565 1.00 1.46 C ATOM 745 OE1 GLU A 52 -7.840 -2.538 7.969 1.00 2.13 O ATOM 746 OE2 GLU A 52 -6.867 -3.249 9.807 1.00 1.91 O ATOM 0 H GLU A 52 -3.109 -1.518 5.585 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.057 -4.006 7.190 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.388 -2.199 8.178 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.255 -1.971 6.672 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.229 -4.224 6.858 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.309 -4.524 8.319 1.00 1.01 H new ATOM 751 N THR A 53 -3.668 -5.361 5.216 1.00 0.52 N ATOM 752 CA THR A 53 -4.081 -6.211 4.105 1.00 0.58 C ATOM 753 C THR A 53 -4.999 -7.333 4.576 1.00 0.61 C ATOM 754 O THR A 53 -5.438 -7.349 5.727 1.00 0.60 O ATOM 755 CB THR A 53 -2.862 -6.825 3.389 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.232 -7.796 4.234 1.00 0.55 O ATOM 757 CG2 THR A 53 -1.860 -5.746 3.010 1.00 0.64 C ATOM 0 H THR A 53 -3.032 -5.807 5.877 1.00 0.52 H new ATOM 0 HA THR A 53 -4.625 -5.575 3.406 1.00 0.58 H new ATOM 0 HB THR A 53 -3.210 -7.312 2.478 1.00 0.59 H new ATOM 0 HG1 THR A 53 -1.891 -7.356 5.040 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.008 -6.202 2.506 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.335 -5.027 2.342 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.518 -5.235 3.910 1.00 0.64 H new ATOM 765 N ARG A 54 -5.284 -8.269 3.678 1.00 0.68 N ATOM 766 CA ARG A 54 -6.157 -9.393 3.990 1.00 0.73 C ATOM 767 C ARG A 54 -5.719 -10.096 5.271 1.00 0.67 C ATOM 768 O ARG A 54 -4.837 -10.953 5.251 1.00 0.69 O ATOM 769 CB ARG A 54 -6.170 -10.388 2.829 1.00 0.84 C ATOM 770 CG ARG A 54 -7.061 -11.596 3.067 1.00 1.47 C ATOM 771 CD ARG A 54 -8.516 -11.192 3.244 1.00 1.53 C ATOM 772 NE ARG A 54 -9.396 -12.356 3.322 1.00 2.10 N ATOM 773 CZ ARG A 54 -10.694 -12.284 3.604 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.262 -11.107 3.827 1.00 1.97 N ATOM 775 NH2 ARG A 54 -11.424 -13.390 3.660 1.00 3.04 N ATOM 0 H ARG A 54 -4.921 -8.271 2.725 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.163 -9.003 4.143 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -6.503 -9.875 1.927 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -5.152 -10.730 2.644 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.974 -12.285 2.227 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -6.721 -12.131 3.954 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.620 -10.596 4.151 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.822 -10.560 2.410 1.00 1.53 H new ATOM 0 HE ARG A 54 -8.992 -13.277 3.150 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.704 -10.255 3.782 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -12.257 -11.054 4.043 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -10.990 -14.297 3.487 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -12.419 -13.334 3.876 1.00 3.04 H new ATOM 786 N ARG A 55 -6.342 -9.724 6.383 1.00 0.66 N ATOM 787 CA ARG A 55 -6.036 -10.322 7.674 1.00 0.66 C ATOM 788 C ARG A 55 -4.544 -10.245 7.988 1.00 0.62 C ATOM 789 O ARG A 55 -4.026 -11.040 8.771 1.00 0.70 O ATOM 790 CB ARG A 55 -6.492 -11.783 7.698 1.00 0.73 C ATOM 791 CG ARG A 55 -7.945 -11.973 7.298 1.00 1.06 C ATOM 792 CD ARG A 55 -8.358 -13.435 7.386 1.00 1.67 C ATOM 793 NE ARG A 55 -7.548 -14.288 6.521 1.00 2.43 N ATOM 794 CZ ARG A 55 -7.807 -15.574 6.305 1.00 3.17 C ATOM 795 NH1 ARG A 55 -8.851 -16.149 6.887 1.00 3.34 N ATOM 796 NH2 ARG A 55 -7.023 -16.286 5.507 1.00 4.11 N ATOM 0 H ARG A 55 -7.066 -9.006 6.415 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.573 -9.757 8.436 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -5.860 -12.363 7.026 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.344 -12.185 8.700 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -8.584 -11.373 7.946 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.094 -11.612 6.280 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -8.267 -13.775 8.418 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -9.408 -13.532 7.109 1.00 1.67 H new ATOM 0 HE ARG A 55 -6.739 -13.875 6.057 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -9.456 -15.604 7.501 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -9.048 -17.136 6.720 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -6.219 -15.847 5.058 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -7.224 -17.273 5.343 1.00 4.11 H new ATOM 807 N VAL A 56 -3.854 -9.284 7.382 1.00 0.58 N ATOM 808 CA VAL A 56 -2.423 -9.123 7.612 1.00 0.57 C ATOM 809 C VAL A 56 -2.011 -7.655 7.563 1.00 0.49 C ATOM 810 O VAL A 56 -2.110 -7.003 6.525 1.00 0.50 O ATOM 811 CB VAL A 56 -1.594 -9.915 6.582 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.105 -9.753 6.853 1.00 1.02 C ATOM 813 CG2 VAL A 56 -1.985 -11.384 6.600 1.00 1.23 C ATOM 0 H VAL A 56 -4.259 -8.610 6.733 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.222 -9.516 8.609 1.00 0.57 H new ATOM 0 HB VAL A 56 -1.806 -9.515 5.590 1.00 0.66 H new ATOM 0 HG11 VAL A 56 0.463 -10.320 6.115 1.00 1.02 H new ATOM 0 HG12 VAL A 56 0.164 -8.699 6.787 1.00 1.02 H new ATOM 0 HG13 VAL A 56 0.126 -10.124 7.852 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.390 -11.928 5.867 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -1.804 -11.797 7.592 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.042 -11.482 6.354 1.00 1.23 H new ATOM 823 N SER A 57 -1.550 -7.143 8.700 1.00 0.48 N ATOM 824 CA SER A 57 -1.114 -5.755 8.794 1.00 0.43 C ATOM 825 C SER A 57 0.408 -5.668 8.747 1.00 0.42 C ATOM 826 O SER A 57 1.089 -6.038 9.703 1.00 0.46 O ATOM 827 CB SER A 57 -1.636 -5.122 10.085 1.00 0.51 C ATOM 828 OG SER A 57 -1.246 -3.764 10.184 1.00 0.64 O ATOM 0 H SER A 57 -1.469 -7.670 9.570 1.00 0.48 H new ATOM 0 HA SER A 57 -1.520 -5.208 7.943 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.723 -5.194 10.115 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.256 -5.676 10.944 1.00 0.51 H new ATOM 0 HG SER A 57 -1.044 -3.416 9.291 1.00 0.64 H new ATOM 833 N LEU A 58 0.938 -5.175 7.630 1.00 0.38 N ATOM 834 CA LEU A 58 2.382 -5.048 7.462 1.00 0.40 C ATOM 835 C LEU A 58 2.846 -3.620 7.727 1.00 0.37 C ATOM 836 O LEU A 58 2.047 -2.683 7.721 1.00 0.38 O ATOM 837 CB LEU A 58 2.791 -5.476 6.051 1.00 0.43 C ATOM 838 CG LEU A 58 4.299 -5.500 5.797 1.00 0.96 C ATOM 839 CD1 LEU A 58 4.980 -6.499 6.719 1.00 1.50 C ATOM 840 CD2 LEU A 58 4.588 -5.833 4.340 1.00 1.54 C ATOM 0 H LEU A 58 0.390 -4.858 6.830 1.00 0.38 H new ATOM 0 HA LEU A 58 2.862 -5.703 8.189 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.389 -6.471 5.858 1.00 0.43 H new ATOM 0 HB3 LEU A 58 2.327 -4.800 5.333 1.00 0.43 H new ATOM 0 HG LEU A 58 4.700 -4.509 6.010 1.00 0.96 H new ATOM 0 HD11 LEU A 58 6.052 -6.502 6.524 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.801 -6.217 7.757 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.576 -7.495 6.539 1.00 1.50 H new ATOM 0 HD21 LEU A 58 5.666 -5.846 4.177 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.173 -6.812 4.101 1.00 1.54 H new ATOM 0 HD23 LEU A 58 4.133 -5.080 3.697 1.00 1.54 H new ATOM 851 N VAL A 59 4.146 -3.465 7.958 1.00 0.41 N ATOM 852 CA VAL A 59 4.729 -2.155 8.226 1.00 0.40 C ATOM 853 C VAL A 59 5.732 -1.772 7.143 1.00 0.40 C ATOM 854 O VAL A 59 6.656 -2.529 6.844 1.00 0.47 O ATOM 855 CB VAL A 59 5.431 -2.127 9.598 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.555 -3.150 9.645 1.00 0.50 C ATOM 857 CG2 VAL A 59 5.956 -0.734 9.905 1.00 0.45 C ATOM 0 H VAL A 59 4.817 -4.233 7.965 1.00 0.41 H new ATOM 0 HA VAL A 59 3.911 -1.434 8.230 1.00 0.40 H new ATOM 0 HB VAL A 59 4.699 -2.389 10.362 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.038 -3.115 10.621 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.147 -4.147 9.478 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.287 -2.923 8.870 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.448 -0.737 10.878 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.671 -0.437 9.138 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.126 -0.028 9.920 1.00 0.45 H new ATOM 867 N LEU A 60 5.545 -0.597 6.552 1.00 0.39 N ATOM 868 CA LEU A 60 6.436 -0.121 5.500 1.00 0.40 C ATOM 869 C LEU A 60 7.118 1.182 5.904 1.00 0.38 C ATOM 870 O LEU A 60 6.708 1.839 6.862 1.00 0.48 O ATOM 871 CB LEU A 60 5.660 0.082 4.197 1.00 0.45 C ATOM 872 CG LEU A 60 4.953 -1.163 3.663 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.165 -0.829 2.407 1.00 0.77 C ATOM 874 CD2 LEU A 60 5.958 -2.270 3.384 1.00 0.97 C ATOM 0 H LEU A 60 4.785 0.043 6.783 1.00 0.39 H new ATOM 0 HA LEU A 60 7.205 -0.878 5.346 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.917 0.864 4.353 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.349 0.445 3.434 1.00 0.45 H new ATOM 0 HG LEU A 60 4.256 -1.516 4.423 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.668 -1.727 2.040 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.418 -0.069 2.637 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.843 -0.451 1.642 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.436 -3.148 3.005 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.679 -1.928 2.642 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.480 -2.528 4.305 1.00 0.97 H new ATOM 885 N ARG A 61 8.156 1.552 5.160 1.00 0.51 N ATOM 886 CA ARG A 61 8.898 2.774 5.439 1.00 0.58 C ATOM 887 C ARG A 61 9.251 3.497 4.143 1.00 0.54 C ATOM 888 O ARG A 61 9.358 2.878 3.085 1.00 0.59 O ATOM 889 CB ARG A 61 10.167 2.457 6.231 1.00 0.69 C ATOM 890 CG ARG A 61 10.939 3.695 6.658 1.00 1.34 C ATOM 891 CD ARG A 61 12.074 3.341 7.606 1.00 1.51 C ATOM 892 NE ARG A 61 12.823 4.523 8.025 1.00 2.06 N ATOM 893 CZ ARG A 61 13.723 4.517 9.002 1.00 2.47 C ATOM 894 NH1 ARG A 61 13.989 3.393 9.654 1.00 2.45 N ATOM 895 NH2 ARG A 61 14.355 5.635 9.329 1.00 3.32 N ATOM 0 H ARG A 61 8.501 1.022 4.360 1.00 0.51 H new ATOM 0 HA ARG A 61 8.266 3.429 6.038 1.00 0.58 H new ATOM 0 HB2 ARG A 61 9.899 1.882 7.117 1.00 0.69 H new ATOM 0 HB3 ARG A 61 10.816 1.825 5.625 1.00 0.69 H new ATOM 0 HG2 ARG A 61 11.341 4.197 5.778 1.00 1.34 H new ATOM 0 HG3 ARG A 61 10.263 4.398 7.144 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.670 2.837 8.484 1.00 1.51 H new ATOM 0 HD3 ARG A 61 12.749 2.638 7.118 1.00 1.51 H new ATOM 0 HE ARG A 61 12.645 5.403 7.540 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.502 2.532 9.405 1.00 2.45 H new ATOM 0 HH12 ARG A 61 14.680 3.390 10.404 1.00 2.45 H new ATOM 0 HH21 ARG A 61 14.150 6.501 8.830 1.00 3.32 H new ATOM 0 HH22 ARG A 61 15.046 5.629 10.079 1.00 3.32 H new ATOM 906 N LYS A 62 9.439 4.807 4.238 1.00 0.69 N ATOM 907 CA LYS A 62 9.763 5.625 3.074 1.00 0.74 C ATOM 908 C LYS A 62 10.863 4.991 2.225 1.00 0.68 C ATOM 909 O LYS A 62 10.934 5.221 1.017 1.00 0.76 O ATOM 910 CB LYS A 62 10.184 7.027 3.518 1.00 0.92 C ATOM 911 CG LYS A 62 10.121 8.063 2.407 1.00 1.88 C ATOM 912 CD LYS A 62 8.803 7.994 1.645 1.00 2.95 C ATOM 913 CE LYS A 62 7.603 7.971 2.583 1.00 3.60 C ATOM 914 NZ LYS A 62 6.313 7.983 1.839 1.00 4.70 N ATOM 0 H LYS A 62 9.373 5.328 5.112 1.00 0.69 H new ATOM 0 HA LYS A 62 8.867 5.694 2.457 1.00 0.74 H new ATOM 0 HB2 LYS A 62 9.542 7.347 4.338 1.00 0.92 H new ATOM 0 HB3 LYS A 62 11.201 6.985 3.907 1.00 0.92 H new ATOM 0 HG2 LYS A 62 10.244 9.059 2.831 1.00 1.88 H new ATOM 0 HG3 LYS A 62 10.949 7.906 1.716 1.00 1.88 H new ATOM 0 HD2 LYS A 62 8.725 8.852 0.977 1.00 2.95 H new ATOM 0 HD3 LYS A 62 8.792 7.101 1.020 1.00 2.95 H new ATOM 0 HE2 LYS A 62 7.651 7.082 3.211 1.00 3.60 H new ATOM 0 HE3 LYS A 62 7.646 8.834 3.248 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 5.522 7.967 2.515 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 6.255 8.844 1.259 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 6.260 7.147 1.223 1.00 4.70 H new ATOM 924 N LYS A 63 11.720 4.193 2.855 1.00 0.64 N ATOM 925 CA LYS A 63 12.810 3.534 2.142 1.00 0.71 C ATOM 926 C LYS A 63 12.305 2.303 1.396 1.00 0.63 C ATOM 927 O LYS A 63 12.857 1.924 0.362 1.00 0.73 O ATOM 928 CB LYS A 63 13.926 3.135 3.110 1.00 0.88 C ATOM 929 CG LYS A 63 13.481 2.161 4.191 1.00 0.88 C ATOM 930 CD LYS A 63 14.671 1.549 4.914 1.00 1.10 C ATOM 931 CE LYS A 63 15.602 2.618 5.463 1.00 1.67 C ATOM 932 NZ LYS A 63 14.926 3.480 6.472 1.00 2.28 N ATOM 0 H LYS A 63 11.682 3.987 3.853 1.00 0.64 H new ATOM 0 HA LYS A 63 13.210 4.242 1.416 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.743 2.687 2.544 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.322 4.033 3.584 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.845 2.678 4.909 1.00 0.88 H new ATOM 0 HG3 LYS A 63 12.879 1.370 3.744 1.00 0.88 H new ATOM 0 HD2 LYS A 63 14.317 0.920 5.731 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.221 0.903 4.229 1.00 1.10 H new ATOM 0 HE2 LYS A 63 16.472 2.143 5.916 1.00 1.67 H new ATOM 0 HE3 LYS A 63 15.967 3.237 4.643 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 15.573 4.237 6.771 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 14.072 3.900 6.053 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 14.660 2.905 7.297 1.00 2.28 H new ATOM 942 N ASP A 64 11.257 1.684 1.926 1.00 0.54 N ATOM 943 CA ASP A 64 10.678 0.498 1.308 1.00 0.54 C ATOM 944 C ASP A 64 9.728 0.880 0.176 1.00 0.46 C ATOM 945 O ASP A 64 9.610 0.162 -0.817 1.00 0.56 O ATOM 946 CB ASP A 64 9.935 -0.338 2.352 1.00 0.56 C ATOM 947 CG ASP A 64 9.404 -1.638 1.780 1.00 1.38 C ATOM 948 OD1 ASP A 64 8.343 -1.606 1.121 1.00 2.30 O ATOM 949 OD2 ASP A 64 10.050 -2.685 1.989 1.00 1.49 O ATOM 0 H ASP A 64 10.791 1.984 2.782 1.00 0.54 H new ATOM 0 HA ASP A 64 11.492 -0.095 0.890 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.606 -0.557 3.183 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.106 0.243 2.756 1.00 0.56 H new ATOM 953 N LEU A 65 9.053 2.016 0.332 1.00 0.39 N ATOM 954 CA LEU A 65 8.117 2.488 -0.683 1.00 0.41 C ATOM 955 C LEU A 65 8.859 3.090 -1.872 1.00 0.45 C ATOM 956 O LEU A 65 8.334 3.134 -2.985 1.00 0.52 O ATOM 957 CB LEU A 65 7.157 3.522 -0.091 1.00 0.51 C ATOM 958 CG LEU A 65 6.151 2.974 0.922 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.837 2.644 2.236 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.022 3.968 1.143 1.00 0.70 C ATOM 0 H LEU A 65 9.136 2.623 1.147 1.00 0.39 H new ATOM 0 HA LEU A 65 7.542 1.630 -1.031 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.744 4.304 0.391 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.607 3.992 -0.906 1.00 0.51 H new ATOM 0 HG LEU A 65 5.726 2.054 0.519 1.00 0.49 H new ATOM 0 HD11 LEU A 65 6.103 2.256 2.942 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.609 1.893 2.065 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.292 3.546 2.645 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.316 3.561 1.867 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.431 4.905 1.522 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.509 4.152 0.199 1.00 0.70 H new ATOM 971 N ALA A 66 10.081 3.555 -1.631 1.00 0.46 N ATOM 972 CA ALA A 66 10.892 4.154 -2.682 1.00 0.52 C ATOM 973 C ALA A 66 11.118 3.177 -3.833 1.00 0.50 C ATOM 974 O ALA A 66 11.341 3.588 -4.973 1.00 0.66 O ATOM 975 CB ALA A 66 12.226 4.621 -2.114 1.00 0.60 C ATOM 0 H ALA A 66 10.530 3.528 -0.716 1.00 0.46 H new ATOM 0 HA ALA A 66 10.352 5.015 -3.076 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.824 5.067 -2.909 1.00 0.60 H new ATOM 0 HB2 ALA A 66 12.050 5.361 -1.333 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.760 3.769 -1.693 1.00 0.60 H new ATOM 981 N LEU A 67 11.056 1.885 -3.530 1.00 0.37 N ATOM 982 CA LEU A 67 11.256 0.851 -4.540 1.00 0.35 C ATOM 983 C LEU A 67 9.929 0.439 -5.170 1.00 0.31 C ATOM 984 O LEU A 67 9.735 0.581 -6.378 1.00 0.30 O ATOM 985 CB LEU A 67 11.938 -0.370 -3.921 1.00 0.38 C ATOM 986 CG LEU A 67 13.300 -0.098 -3.281 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.802 -1.333 -2.549 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.304 0.342 -4.337 1.00 0.47 C ATOM 0 H LEU A 67 10.869 1.528 -2.593 1.00 0.37 H new ATOM 0 HA LEU A 67 11.896 1.262 -5.321 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.276 -0.792 -3.164 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.062 -1.128 -4.694 1.00 0.38 H new ATOM 0 HG LEU A 67 13.186 0.708 -2.556 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.772 -1.121 -2.100 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.093 -1.606 -1.768 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.901 -2.158 -3.254 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.268 0.532 -3.866 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.414 -0.444 -5.084 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.950 1.254 -4.818 1.00 0.47 H new ATOM 999 N ILE A 68 9.019 -0.070 -4.345 1.00 0.31 N ATOM 1000 CA ILE A 68 7.711 -0.502 -4.824 1.00 0.30 C ATOM 1001 C ILE A 68 6.900 0.682 -5.333 1.00 0.30 C ATOM 1002 O ILE A 68 7.074 1.810 -4.873 1.00 0.37 O ATOM 1003 CB ILE A 68 6.911 -1.215 -3.717 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.773 -0.311 -2.491 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.575 -2.530 -3.344 1.00 0.38 C ATOM 1006 CD1 ILE A 68 6.007 -0.948 -1.352 1.00 0.43 C ATOM 0 H ILE A 68 9.163 -0.193 -3.343 1.00 0.31 H new ATOM 0 HA ILE A 68 7.889 -1.202 -5.640 1.00 0.30 H new ATOM 0 HB ILE A 68 5.912 -1.432 -4.096 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.767 -0.035 -2.140 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.271 0.611 -2.784 1.00 0.38 H new ATOM 0 HG21 ILE A 68 6.997 -3.020 -2.561 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.620 -3.176 -4.221 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.585 -2.338 -2.983 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.949 -0.250 -0.517 1.00 0.43 H new ATOM 0 HD12 ILE A 68 5.000 -1.199 -1.686 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.519 -1.855 -1.031 1.00 0.43 H new ATOM 1017 N GLU A 69 6.013 0.420 -6.288 1.00 0.29 N ATOM 1018 CA GLU A 69 5.179 1.470 -6.858 1.00 0.32 C ATOM 1019 C GLU A 69 3.772 1.426 -6.272 1.00 0.31 C ATOM 1020 O GLU A 69 3.253 0.355 -5.961 1.00 0.37 O ATOM 1021 CB GLU A 69 5.114 1.328 -8.379 1.00 0.34 C ATOM 1022 CG GLU A 69 4.580 2.564 -9.081 1.00 0.44 C ATOM 1023 CD GLU A 69 5.447 3.786 -8.846 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.195 4.513 -7.864 1.00 2.29 O ATOM 1025 OE2 GLU A 69 6.379 4.014 -9.647 1.00 1.26 O ATOM 0 H GLU A 69 5.854 -0.507 -6.682 1.00 0.29 H new ATOM 0 HA GLU A 69 5.627 2.431 -6.608 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.112 1.107 -8.758 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.482 0.476 -8.630 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.514 2.370 -10.152 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.568 2.768 -8.731 1.00 0.44 H new ATOM 1030 N LEU A 70 3.161 2.595 -6.123 1.00 0.32 N ATOM 1031 CA LEU A 70 1.811 2.689 -5.580 1.00 0.33 C ATOM 1032 C LEU A 70 0.834 3.160 -6.651 1.00 0.33 C ATOM 1033 O LEU A 70 1.237 3.751 -7.653 1.00 0.45 O ATOM 1034 CB LEU A 70 1.785 3.647 -4.386 1.00 0.38 C ATOM 1035 CG LEU A 70 0.463 3.688 -3.619 1.00 0.95 C ATOM 1036 CD1 LEU A 70 0.198 2.351 -2.942 1.00 1.25 C ATOM 1037 CD2 LEU A 70 0.477 4.813 -2.594 1.00 1.85 C ATOM 0 H LEU A 70 3.579 3.492 -6.371 1.00 0.32 H new ATOM 0 HA LEU A 70 1.506 1.698 -5.244 1.00 0.33 H new ATOM 0 HB2 LEU A 70 2.580 3.365 -3.695 1.00 0.38 H new ATOM 0 HB3 LEU A 70 2.013 4.652 -4.741 1.00 0.38 H new ATOM 0 HG LEU A 70 -0.342 3.879 -4.328 1.00 0.95 H new ATOM 0 HD11 LEU A 70 -0.747 2.398 -2.401 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.145 1.566 -3.696 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.005 2.130 -2.244 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -0.471 4.828 -2.057 1.00 1.85 H new ATOM 0 HD22 LEU A 70 1.291 4.652 -1.888 1.00 1.85 H new ATOM 0 HD23 LEU A 70 0.621 5.766 -3.102 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.449 2.893 -6.438 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.479 3.290 -7.392 1.00 0.38 C ATOM 1050 C GLU A 71 -2.773 3.664 -6.678 1.00 0.37 C ATOM 1051 O GLU A 71 -3.120 3.079 -5.652 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.741 2.157 -8.388 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.809 2.491 -9.418 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.448 3.697 -10.263 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -1.786 3.515 -11.306 1.00 1.26 O ATOM 1056 OE2 GLU A 71 -2.826 4.825 -9.878 1.00 2.24 O ATOM 0 H GLU A 71 -0.801 2.404 -5.615 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.120 4.167 -7.931 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.812 1.916 -8.904 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.042 1.264 -7.840 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -2.963 1.630 -10.068 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.754 2.679 -8.908 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.481 4.646 -7.227 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.736 5.100 -6.643 1.00 0.52 C ATOM 1063 C ALA A 72 -5.854 4.092 -6.894 1.00 0.44 C ATOM 1064 O ALA A 72 -5.732 3.217 -7.751 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.117 6.462 -7.204 1.00 0.76 C ATOM 0 H ALA A 72 -3.206 5.142 -8.075 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.596 5.189 -5.566 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.057 6.789 -6.759 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.334 7.184 -6.970 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.233 6.390 -8.285 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.940 4.224 -6.142 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.080 3.326 -6.280 1.00 0.64 C ATOM 1073 C VAL A 73 -9.277 4.041 -6.897 1.00 0.83 C ATOM 1074 O VAL A 73 -9.342 5.271 -6.906 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.497 2.738 -4.920 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.357 1.934 -4.314 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -8.941 3.844 -3.974 1.00 1.16 C ATOM 0 H VAL A 73 -7.055 4.945 -5.430 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.765 2.518 -6.940 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.341 2.066 -5.078 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -7.670 1.526 -3.353 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.091 1.118 -4.985 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -6.492 2.581 -4.169 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.232 3.410 -3.018 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.119 4.543 -3.820 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -9.791 4.373 -4.406 1.00 1.16 H new ATOM 1087 N ALA A 74 -10.224 3.263 -7.410 1.00 0.99 N ATOM 1088 CA ALA A 74 -11.420 3.820 -8.029 1.00 1.25 C ATOM 1089 C ALA A 74 -12.629 3.681 -7.110 1.00 1.66 C ATOM 1090 O ALA A 74 -12.518 3.172 -5.996 1.00 2.28 O ATOM 1091 CB ALA A 74 -11.689 3.140 -9.364 1.00 1.57 C ATOM 0 H ALA A 74 -10.186 2.244 -7.409 1.00 0.99 H new ATOM 0 HA ALA A 74 -11.248 4.882 -8.203 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -12.585 3.566 -9.815 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -10.839 3.295 -10.029 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -11.835 2.072 -9.205 1.00 1.57 H new ATOM 1097 N GLN A 75 -13.783 4.137 -7.586 1.00 1.95 N ATOM 1098 CA GLN A 75 -15.016 4.062 -6.807 1.00 2.53 C ATOM 1099 C GLN A 75 -16.133 3.415 -7.617 1.00 2.88 C ATOM 1100 O GLN A 75 -16.235 3.615 -8.828 1.00 3.14 O ATOM 1101 CB GLN A 75 -15.442 5.460 -6.352 1.00 3.27 C ATOM 1102 CG GLN A 75 -15.529 6.467 -7.483 1.00 3.83 C ATOM 1103 CD GLN A 75 -15.838 7.869 -6.992 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -14.932 8.641 -6.675 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -17.121 8.205 -6.930 1.00 5.13 N ATOM 0 H GLN A 75 -13.891 4.562 -8.507 1.00 1.95 H new ATOM 0 HA GLN A 75 -14.825 3.444 -5.929 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -16.413 5.393 -5.861 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -14.733 5.822 -5.608 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -14.586 6.477 -8.029 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -16.301 6.153 -8.185 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -17.838 7.533 -7.203 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -17.390 9.135 -6.610 1.00 5.13 H new TER 1112 GLN A 75