USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -1.82! C(o=-1.8!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0877 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.65) USER MOD Single : A 16 ASN : amide:sc=-0.00912 X(o=-0.0091,f=-0.41) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 26 THR OG1 : rot -38:sc= 1.13 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 51 THR OG1 : rot -35:sc= 1.01 USER MOD Single : A 55 SER OG : rot 180:sc=-0.00147 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 67 SER OG : rot -58:sc= 0.955 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0304 K(o=-0.03,f=-0.7) USER MOD Single : A 72 SER OG : rot 140:sc= -2.64! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.291 2.482 -0.593 1.00 5.63 N ATOM 2 CA GLY A 1 -21.160 1.693 -1.841 1.00 4.92 C ATOM 3 C GLY A 1 -19.805 1.029 -1.954 1.00 4.01 C ATOM 4 O GLY A 1 -18.999 1.089 -1.024 1.00 4.29 O ATOM 0 H1 GLY A 1 -22.090 2.119 -0.035 1.00 5.63 H new ATOM 0 H2 GLY A 1 -20.416 2.400 -0.037 1.00 5.63 H new ATOM 0 H3 GLY A 1 -21.459 3.481 -0.830 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -21.940 0.932 -1.872 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -21.317 2.345 -2.700 1.00 4.92 H new ATOM 10 N SER A 2 -19.542 0.407 -3.095 1.00 3.39 N ATOM 11 CA SER A 2 -18.293 -0.312 -3.305 1.00 2.92 C ATOM 12 C SER A 2 -17.203 0.605 -3.862 1.00 2.13 C ATOM 13 O SER A 2 -16.520 0.259 -4.824 1.00 2.36 O ATOM 14 CB SER A 2 -18.525 -1.487 -4.253 1.00 3.61 C ATOM 15 OG SER A 2 -19.601 -2.296 -3.808 1.00 4.28 O ATOM 0 H SER A 2 -20.179 0.386 -3.891 1.00 3.39 H new ATOM 0 HA SER A 2 -17.952 -0.684 -2.339 1.00 2.92 H new ATOM 0 HB2 SER A 2 -18.737 -1.114 -5.255 1.00 3.61 H new ATOM 0 HB3 SER A 2 -17.618 -2.088 -4.322 1.00 3.61 H new ATOM 0 HG SER A 2 -19.731 -3.040 -4.432 1.00 4.28 H new ATOM 21 N TRP A 3 -17.050 1.777 -3.263 1.00 1.93 N ATOM 22 CA TRP A 3 -15.989 2.693 -3.652 1.00 1.69 C ATOM 23 C TRP A 3 -15.037 2.921 -2.489 1.00 1.84 C ATOM 24 O TRP A 3 -15.458 3.302 -1.393 1.00 2.71 O ATOM 25 CB TRP A 3 -16.551 4.037 -4.126 1.00 2.33 C ATOM 26 CG TRP A 3 -17.199 3.984 -5.474 1.00 2.76 C ATOM 27 CD1 TRP A 3 -16.616 4.251 -6.679 1.00 3.47 C ATOM 28 CD2 TRP A 3 -18.558 3.657 -5.751 1.00 3.17 C ATOM 29 NE1 TRP A 3 -17.538 4.108 -7.689 1.00 4.11 N ATOM 30 CE2 TRP A 3 -18.738 3.742 -7.143 1.00 3.90 C ATOM 31 CE3 TRP A 3 -19.637 3.297 -4.952 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -19.962 3.484 -7.750 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -20.852 3.039 -5.551 1.00 4.30 C ATOM 34 CH2 TRP A 3 -21.006 3.133 -6.939 1.00 4.74 C ATOM 0 H TRP A 3 -17.646 2.115 -2.507 1.00 1.93 H new ATOM 0 HA TRP A 3 -15.450 2.237 -4.482 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -17.280 4.392 -3.397 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -15.743 4.769 -4.151 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -15.583 4.533 -6.819 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -17.357 4.251 -8.683 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -19.526 3.221 -3.880 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -20.084 3.558 -8.821 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -21.698 2.760 -4.940 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -21.970 2.924 -7.379 1.00 4.74 H new ATOM 45 N GLY A 4 -13.760 2.681 -2.730 1.00 1.61 N ATOM 46 CA GLY A 4 -12.756 2.893 -1.710 1.00 2.03 C ATOM 47 C GLY A 4 -12.207 4.303 -1.746 1.00 1.82 C ATOM 48 O GLY A 4 -11.029 4.514 -2.043 1.00 1.87 O ATOM 0 H GLY A 4 -13.398 2.341 -3.621 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -13.188 2.696 -0.729 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -11.941 2.182 -1.849 1.00 2.03 H new ATOM 52 N GLN A 5 -13.066 5.270 -1.457 1.00 1.92 N ATOM 53 CA GLN A 5 -12.665 6.668 -1.452 1.00 1.96 C ATOM 54 C GLN A 5 -12.122 7.060 -0.086 1.00 1.53 C ATOM 55 O GLN A 5 -12.709 6.736 0.947 1.00 1.64 O ATOM 56 CB GLN A 5 -13.837 7.570 -1.841 1.00 2.55 C ATOM 57 CG GLN A 5 -14.299 7.365 -3.274 1.00 3.13 C ATOM 58 CD GLN A 5 -15.399 8.323 -3.682 1.00 3.34 C ATOM 59 OE1 GLN A 5 -16.209 8.752 -2.860 1.00 3.26 O ATOM 60 NE2 GLN A 5 -15.434 8.668 -4.957 1.00 4.17 N ATOM 0 H GLN A 5 -14.046 5.111 -1.223 1.00 1.92 H new ATOM 0 HA GLN A 5 -11.874 6.799 -2.191 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -14.672 7.381 -1.166 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -13.546 8.612 -1.705 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -13.449 7.488 -3.945 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -14.653 6.341 -3.393 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -14.744 8.290 -5.607 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -16.151 9.312 -5.292 1.00 4.17 H new ATOM 69 N CYS A 6 -10.998 7.750 -0.094 1.00 1.29 N ATOM 70 CA CYS A 6 -10.329 8.143 1.133 1.00 0.94 C ATOM 71 C CYS A 6 -9.905 9.603 1.049 1.00 0.96 C ATOM 72 O CYS A 6 -9.516 10.086 -0.012 1.00 1.88 O ATOM 73 CB CYS A 6 -9.112 7.243 1.358 1.00 0.81 C ATOM 74 SG CYS A 6 -8.024 7.751 2.727 1.00 0.61 S ATOM 0 H CYS A 6 -10.524 8.053 -0.945 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.013 8.031 1.974 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.460 6.227 1.547 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -8.526 7.213 0.439 1.00 0.81 H new ATOM 79 N SER A 7 -9.981 10.300 2.171 1.00 0.91 N ATOM 80 CA SER A 7 -9.668 11.722 2.220 1.00 0.99 C ATOM 81 C SER A 7 -8.162 11.969 2.129 1.00 1.25 C ATOM 82 O SER A 7 -7.718 13.104 1.972 1.00 1.82 O ATOM 83 CB SER A 7 -10.233 12.315 3.508 1.00 1.55 C ATOM 84 OG SER A 7 -9.902 11.501 4.622 1.00 2.40 O ATOM 0 H SER A 7 -10.259 9.902 3.068 1.00 0.91 H new ATOM 0 HA SER A 7 -10.126 12.210 1.360 1.00 0.99 H new ATOM 0 HB2 SER A 7 -9.838 13.320 3.655 1.00 1.55 H new ATOM 0 HB3 SER A 7 -11.316 12.407 3.427 1.00 1.55 H new ATOM 0 HG SER A 7 -10.271 11.898 5.438 1.00 2.40 H new ATOM 90 N THR A 8 -7.381 10.902 2.239 1.00 1.48 N ATOM 91 CA THR A 8 -5.936 11.000 2.123 1.00 2.09 C ATOM 92 C THR A 8 -5.476 10.500 0.749 1.00 1.70 C ATOM 93 O THR A 8 -4.313 10.660 0.367 1.00 2.23 O ATOM 94 CB THR A 8 -5.250 10.187 3.241 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.920 10.424 4.490 1.00 3.15 O ATOM 96 CG2 THR A 8 -3.782 10.568 3.381 1.00 3.75 C ATOM 0 H THR A 8 -7.727 9.958 2.409 1.00 1.48 H new ATOM 0 HA THR A 8 -5.652 12.047 2.228 1.00 2.09 H new ATOM 0 HB THR A 8 -5.309 9.131 2.976 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.484 9.906 5.198 1.00 3.15 H new ATOM 0 HG21 THR A 8 -3.327 9.978 4.177 1.00 3.75 H new ATOM 0 HG22 THR A 8 -3.264 10.372 2.442 1.00 3.75 H new ATOM 0 HG23 THR A 8 -3.703 11.627 3.625 1.00 3.75 H new ATOM 104 N GLY A 9 -6.402 9.911 -0.003 1.00 0.97 N ATOM 105 CA GLY A 9 -6.066 9.392 -1.314 1.00 0.72 C ATOM 106 C GLY A 9 -6.963 8.242 -1.735 1.00 0.71 C ATOM 107 O GLY A 9 -8.189 8.358 -1.725 1.00 1.12 O ATOM 0 H GLY A 9 -7.376 9.785 0.273 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -6.141 10.194 -2.048 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -5.029 9.057 -1.313 1.00 0.72 H new ATOM 111 N SER A 10 -6.350 7.130 -2.100 1.00 0.38 N ATOM 112 CA SER A 10 -7.080 5.965 -2.575 1.00 0.39 C ATOM 113 C SER A 10 -7.058 4.862 -1.523 1.00 0.28 C ATOM 114 O SER A 10 -6.139 4.793 -0.714 1.00 0.29 O ATOM 115 CB SER A 10 -6.459 5.464 -3.885 1.00 0.52 C ATOM 116 OG SER A 10 -7.102 4.287 -4.351 1.00 0.96 O ATOM 0 H SER A 10 -5.338 7.008 -2.076 1.00 0.38 H new ATOM 0 HA SER A 10 -8.117 6.246 -2.758 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.531 6.243 -4.644 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.398 5.264 -3.733 1.00 0.52 H new ATOM 0 HG SER A 10 -6.684 3.995 -5.188 1.00 0.96 H new ATOM 122 N ILE A 11 -8.085 4.026 -1.504 1.00 0.32 N ATOM 123 CA ILE A 11 -8.086 2.867 -0.628 1.00 0.27 C ATOM 124 C ILE A 11 -7.776 1.604 -1.409 1.00 0.20 C ATOM 125 O ILE A 11 -8.267 1.397 -2.523 1.00 0.26 O ATOM 126 CB ILE A 11 -9.420 2.698 0.123 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.667 3.916 0.996 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.415 1.431 0.969 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.899 3.805 1.862 1.00 0.96 C ATOM 0 H ILE A 11 -8.921 4.128 -2.080 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.307 3.037 0.115 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.224 2.607 -0.608 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.798 4.076 1.635 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.760 4.795 0.359 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.369 1.336 1.488 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.265 0.564 0.325 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.608 1.484 1.700 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.009 4.712 2.456 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.778 3.677 1.230 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.801 2.946 2.526 1.00 0.96 H new ATOM 141 N GLN A 12 -6.945 0.774 -0.817 1.00 0.13 N ATOM 142 CA GLN A 12 -6.554 -0.493 -1.411 1.00 0.10 C ATOM 143 C GLN A 12 -6.388 -1.558 -0.336 1.00 0.11 C ATOM 144 O GLN A 12 -6.226 -1.246 0.846 1.00 0.17 O ATOM 145 CB GLN A 12 -5.257 -0.370 -2.224 1.00 0.12 C ATOM 146 CG GLN A 12 -4.356 0.780 -1.815 1.00 0.22 C ATOM 147 CD GLN A 12 -4.533 2.010 -2.690 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.488 3.136 -2.211 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.673 1.806 -3.992 1.00 0.35 N ATOM 0 H GLN A 12 -6.519 0.956 0.092 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.352 -0.787 -2.093 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.698 -1.301 -2.133 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.514 -0.255 -3.277 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.562 1.045 -0.778 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.317 0.455 -1.860 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -4.707 0.855 -4.358 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.747 2.600 -4.628 1.00 0.35 H new ATOM 158 N CYS A 13 -6.455 -2.810 -0.752 1.00 0.12 N ATOM 159 CA CYS A 13 -6.285 -3.929 0.154 1.00 0.16 C ATOM 160 C CYS A 13 -4.918 -4.559 -0.061 1.00 0.13 C ATOM 161 O CYS A 13 -4.697 -5.284 -1.034 1.00 0.15 O ATOM 162 CB CYS A 13 -7.400 -4.961 -0.048 1.00 0.25 C ATOM 163 SG CYS A 13 -7.231 -6.451 0.992 1.00 0.34 S ATOM 0 H CYS A 13 -6.628 -3.078 -1.721 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.347 -3.568 1.181 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.360 -4.490 0.164 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.417 -5.262 -1.096 1.00 0.25 H new ATOM 168 N CYS A 14 -4.003 -4.254 0.842 1.00 0.12 N ATOM 169 CA CYS A 14 -2.631 -4.716 0.744 1.00 0.12 C ATOM 170 C CYS A 14 -2.483 -6.093 1.351 1.00 0.15 C ATOM 171 O CYS A 14 -3.000 -6.369 2.432 1.00 0.19 O ATOM 172 CB CYS A 14 -1.685 -3.765 1.471 1.00 0.14 C ATOM 173 SG CYS A 14 -1.434 -2.146 0.678 1.00 0.13 S ATOM 0 H CYS A 14 -4.191 -3.679 1.663 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.376 -4.751 -0.315 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.067 -3.601 2.478 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.716 -4.253 1.574 1.00 0.14 H new ATOM 178 N GLN A 15 -1.770 -6.949 0.645 1.00 0.15 N ATOM 179 CA GLN A 15 -1.443 -8.265 1.139 1.00 0.16 C ATOM 180 C GLN A 15 -0.332 -8.151 2.184 1.00 0.18 C ATOM 181 O GLN A 15 -0.272 -8.929 3.138 1.00 0.23 O ATOM 182 CB GLN A 15 -1.056 -9.166 -0.048 1.00 0.17 C ATOM 183 CG GLN A 15 0.375 -9.694 -0.047 1.00 0.23 C ATOM 184 CD GLN A 15 0.585 -10.848 0.918 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.672 -11.018 1.471 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.445 -11.655 1.119 1.00 0.33 N ATOM 0 H GLN A 15 -1.403 -6.749 -0.285 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.301 -8.723 1.630 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.736 -10.017 -0.069 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.216 -8.607 -0.970 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.637 -10.019 -1.054 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.055 -8.883 0.213 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.330 -11.481 0.642 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.354 -12.451 1.751 1.00 0.33 H new ATOM 195 N ASN A 16 0.526 -7.153 2.009 1.00 0.17 N ATOM 196 CA ASN A 16 1.629 -6.908 2.928 1.00 0.21 C ATOM 197 C ASN A 16 1.774 -5.412 3.192 1.00 0.21 C ATOM 198 O ASN A 16 2.028 -4.637 2.273 1.00 0.40 O ATOM 199 CB ASN A 16 2.928 -7.439 2.334 1.00 0.29 C ATOM 200 CG ASN A 16 3.798 -8.147 3.348 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.774 -7.835 4.539 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.572 -9.115 2.881 1.00 0.75 N ATOM 0 H ASN A 16 0.477 -6.495 1.231 1.00 0.17 H new ATOM 0 HA ASN A 16 1.419 -7.421 3.866 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.694 -8.127 1.521 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.487 -6.610 1.900 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.179 -9.634 3.516 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.561 -9.342 1.887 1.00 0.75 H new ATOM 209 N VAL A 17 1.610 -5.006 4.439 1.00 0.16 N ATOM 210 CA VAL A 17 1.752 -3.602 4.808 1.00 0.13 C ATOM 211 C VAL A 17 3.000 -3.408 5.654 1.00 0.14 C ATOM 212 O VAL A 17 3.017 -3.728 6.846 1.00 0.18 O ATOM 213 CB VAL A 17 0.523 -3.074 5.575 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.708 -1.609 5.949 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.737 -3.254 4.748 1.00 0.14 C ATOM 0 H VAL A 17 1.378 -5.626 5.215 1.00 0.16 H new ATOM 0 HA VAL A 17 1.837 -3.033 3.882 1.00 0.13 H new ATOM 0 HB VAL A 17 0.421 -3.651 6.494 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.171 -1.258 6.489 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.589 -1.504 6.582 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.839 -1.016 5.044 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.595 -2.876 5.305 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.640 -2.703 3.813 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.882 -4.312 4.532 1.00 0.14 H new ATOM 225 N VAL A 18 4.040 -2.883 5.033 1.00 0.12 N ATOM 226 CA VAL A 18 5.333 -2.751 5.681 1.00 0.13 C ATOM 227 C VAL A 18 5.916 -1.361 5.458 1.00 0.12 C ATOM 228 O VAL A 18 5.735 -0.767 4.399 1.00 0.12 O ATOM 229 CB VAL A 18 6.327 -3.809 5.151 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.933 -5.203 5.620 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.397 -3.760 3.630 1.00 0.13 C ATOM 0 H VAL A 18 4.014 -2.538 4.073 1.00 0.12 H new ATOM 0 HA VAL A 18 5.178 -2.907 6.749 1.00 0.13 H new ATOM 0 HB VAL A 18 7.314 -3.580 5.552 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.647 -5.932 5.235 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.934 -5.234 6.710 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.936 -5.442 5.252 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.102 -4.512 3.274 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.410 -3.962 3.214 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.730 -2.772 3.313 1.00 0.13 H new ATOM 241 N PRO A 19 6.590 -0.805 6.473 1.00 0.14 N ATOM 242 CA PRO A 19 7.326 0.450 6.324 1.00 0.15 C ATOM 243 C PRO A 19 8.416 0.333 5.267 1.00 0.12 C ATOM 244 O PRO A 19 9.091 -0.688 5.170 1.00 0.10 O ATOM 245 CB PRO A 19 7.944 0.685 7.705 1.00 0.17 C ATOM 246 CG PRO A 19 7.144 -0.153 8.643 1.00 0.19 C ATOM 247 CD PRO A 19 6.662 -1.332 7.845 1.00 0.17 C ATOM 0 HA PRO A 19 6.682 1.267 6.000 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.995 0.397 7.719 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.898 1.738 7.982 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.750 -0.477 9.489 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.305 0.411 9.050 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.350 -2.175 7.917 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.690 -1.683 8.193 1.00 0.17 H new ATOM 255 N GLY A 20 8.579 1.380 4.468 1.00 0.14 N ATOM 256 CA GLY A 20 9.591 1.371 3.428 1.00 0.13 C ATOM 257 C GLY A 20 10.998 1.342 3.993 1.00 0.14 C ATOM 258 O GLY A 20 11.940 0.943 3.314 1.00 0.18 O ATOM 0 H GLY A 20 8.028 2.237 4.521 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.442 0.502 2.787 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.472 2.255 2.801 1.00 0.13 H new ATOM 262 N ASP A 21 11.133 1.772 5.241 1.00 0.17 N ATOM 263 CA ASP A 21 12.408 1.720 5.949 1.00 0.21 C ATOM 264 C ASP A 21 12.509 0.438 6.779 1.00 0.19 C ATOM 265 O ASP A 21 13.552 0.135 7.362 1.00 0.23 O ATOM 266 CB ASP A 21 12.549 2.956 6.839 1.00 0.31 C ATOM 267 CG ASP A 21 13.806 2.955 7.685 1.00 1.23 C ATOM 268 OD1 ASP A 21 14.906 3.113 7.118 1.00 1.22 O ATOM 269 OD2 ASP A 21 13.703 2.794 8.921 1.00 2.27 O ATOM 0 H ASP A 21 10.368 2.165 5.789 1.00 0.17 H new ATOM 0 HA ASP A 21 13.221 1.713 5.223 1.00 0.21 H new ATOM 0 HB2 ASP A 21 12.544 3.847 6.212 1.00 0.31 H new ATOM 0 HB3 ASP A 21 11.680 3.023 7.494 1.00 0.31 H new ATOM 274 N SER A 22 11.425 -0.324 6.798 1.00 0.16 N ATOM 275 CA SER A 22 11.385 -1.582 7.529 1.00 0.17 C ATOM 276 C SER A 22 12.285 -2.607 6.872 1.00 0.16 C ATOM 277 O SER A 22 12.534 -2.531 5.674 1.00 0.14 O ATOM 278 CB SER A 22 9.957 -2.127 7.578 1.00 0.18 C ATOM 279 OG SER A 22 9.906 -3.425 8.138 1.00 0.24 O ATOM 0 H SER A 22 10.558 -0.092 6.313 1.00 0.16 H new ATOM 0 HA SER A 22 11.735 -1.392 8.544 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.332 -1.454 8.164 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.543 -2.150 6.570 1.00 0.18 H new ATOM 0 HG SER A 22 8.978 -3.738 8.154 1.00 0.24 H new ATOM 285 N ASP A 23 12.756 -3.564 7.647 1.00 0.20 N ATOM 286 CA ASP A 23 13.598 -4.630 7.120 1.00 0.22 C ATOM 287 C ASP A 23 12.925 -5.285 5.927 1.00 0.20 C ATOM 288 O ASP A 23 13.551 -5.533 4.894 1.00 0.22 O ATOM 289 CB ASP A 23 13.857 -5.682 8.195 1.00 0.29 C ATOM 290 CG ASP A 23 14.699 -5.165 9.340 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.178 -4.371 10.155 1.00 1.06 O ATOM 292 OD2 ASP A 23 15.881 -5.557 9.441 1.00 0.61 O ATOM 0 H ASP A 23 12.571 -3.629 8.648 1.00 0.20 H new ATOM 0 HA ASP A 23 14.548 -4.196 6.807 1.00 0.22 H new ATOM 0 HB2 ASP A 23 12.903 -6.037 8.585 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.356 -6.539 7.743 1.00 0.29 H new ATOM 297 N LEU A 24 11.636 -5.545 6.072 1.00 0.20 N ATOM 298 CA LEU A 24 10.860 -6.134 4.997 1.00 0.21 C ATOM 299 C LEU A 24 10.657 -5.137 3.867 1.00 0.17 C ATOM 300 O LEU A 24 11.062 -5.390 2.738 1.00 0.18 O ATOM 301 CB LEU A 24 9.511 -6.625 5.517 1.00 0.26 C ATOM 302 CG LEU A 24 9.365 -8.144 5.615 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.357 -8.767 4.227 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.482 -8.742 6.456 1.00 1.11 C ATOM 0 H LEU A 24 11.107 -5.357 6.923 1.00 0.20 H new ATOM 0 HA LEU A 24 11.416 -6.987 4.607 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.342 -6.195 6.504 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.727 -6.242 4.864 1.00 0.26 H new ATOM 0 HG LEU A 24 8.415 -8.364 6.103 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.252 -9.848 4.314 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.521 -8.367 3.653 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.292 -8.533 3.718 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.357 -9.823 6.511 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.445 -8.511 6.000 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.446 -8.321 7.461 1.00 1.11 H new ATOM 316 N GLY A 25 10.055 -3.995 4.187 1.00 0.14 N ATOM 317 CA GLY A 25 9.739 -2.999 3.174 1.00 0.12 C ATOM 318 C GLY A 25 10.946 -2.559 2.368 1.00 0.12 C ATOM 319 O GLY A 25 10.857 -2.383 1.152 1.00 0.16 O ATOM 0 H GLY A 25 9.778 -3.739 5.135 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.987 -3.405 2.497 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.296 -2.128 3.657 1.00 0.12 H new ATOM 323 N THR A 26 12.075 -2.408 3.036 1.00 0.13 N ATOM 324 CA THR A 26 13.297 -1.971 2.387 1.00 0.16 C ATOM 325 C THR A 26 13.799 -3.042 1.429 1.00 0.20 C ATOM 326 O THR A 26 14.203 -2.744 0.306 1.00 0.24 O ATOM 327 CB THR A 26 14.379 -1.626 3.431 1.00 0.18 C ATOM 328 OG1 THR A 26 13.894 -0.603 4.310 1.00 0.20 O ATOM 329 CG2 THR A 26 15.655 -1.136 2.781 1.00 0.23 C ATOM 0 H THR A 26 12.171 -2.583 4.036 1.00 0.13 H new ATOM 0 HA THR A 26 13.079 -1.069 1.816 1.00 0.16 H new ATOM 0 HB THR A 26 14.600 -2.539 3.984 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.359 0.040 3.800 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.390 -0.904 3.552 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.050 -1.911 2.124 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.445 -0.239 2.198 1.00 0.23 H new ATOM 337 N LEU A 27 13.734 -4.292 1.869 1.00 0.21 N ATOM 338 CA LEU A 27 14.083 -5.424 1.023 1.00 0.28 C ATOM 339 C LEU A 27 13.141 -5.466 -0.171 1.00 0.29 C ATOM 340 O LEU A 27 13.561 -5.664 -1.313 1.00 0.34 O ATOM 341 CB LEU A 27 13.965 -6.722 1.837 1.00 0.33 C ATOM 342 CG LEU A 27 14.705 -7.962 1.297 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.037 -8.510 0.044 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.166 -7.643 1.024 1.00 1.00 C ATOM 0 H LEU A 27 13.441 -4.547 2.812 1.00 0.21 H new ATOM 0 HA LEU A 27 15.108 -5.320 0.666 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.330 -6.523 2.845 1.00 0.33 H new ATOM 0 HB3 LEU A 27 12.907 -6.971 1.924 1.00 0.33 H new ATOM 0 HG LEU A 27 14.655 -8.733 2.066 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.586 -9.383 -0.308 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.010 -8.795 0.274 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.036 -7.745 -0.732 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.668 -8.533 0.644 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.232 -6.845 0.284 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.647 -7.322 1.948 1.00 1.00 H new ATOM 356 N LEU A 28 11.863 -5.244 0.111 1.00 0.27 N ATOM 357 CA LEU A 28 10.823 -5.342 -0.904 1.00 0.31 C ATOM 358 C LEU A 28 11.049 -4.334 -2.019 1.00 0.32 C ATOM 359 O LEU A 28 11.070 -4.696 -3.196 1.00 0.37 O ATOM 360 CB LEU A 28 9.427 -5.128 -0.303 1.00 0.31 C ATOM 361 CG LEU A 28 9.016 -6.092 0.814 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.511 -6.048 1.028 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.478 -7.507 0.513 1.00 0.37 C ATOM 0 H LEU A 28 11.521 -4.994 1.039 1.00 0.27 H new ATOM 0 HA LEU A 28 10.877 -6.350 -1.315 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.374 -4.111 0.085 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.694 -5.201 -1.106 1.00 0.31 H new ATOM 0 HG LEU A 28 9.504 -5.772 1.735 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.236 -6.739 1.825 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.212 -5.037 1.305 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.004 -6.336 0.107 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.172 -8.170 1.323 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.030 -7.845 -0.421 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.564 -7.523 0.421 1.00 0.37 H new ATOM 375 N LEU A 29 11.235 -3.074 -1.654 1.00 0.30 N ATOM 376 CA LEU A 29 11.358 -2.024 -2.649 1.00 0.32 C ATOM 377 C LEU A 29 12.728 -2.034 -3.310 1.00 0.36 C ATOM 378 O LEU A 29 12.884 -1.560 -4.436 1.00 0.41 O ATOM 379 CB LEU A 29 11.029 -0.648 -2.044 1.00 0.30 C ATOM 380 CG LEU A 29 11.888 -0.154 -0.869 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.275 0.286 -1.325 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.187 1.003 -0.182 1.00 0.31 C ATOM 0 H LEU A 29 11.303 -2.758 -0.687 1.00 0.30 H new ATOM 0 HA LEU A 29 10.626 -2.224 -3.432 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.096 0.092 -2.841 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.990 -0.668 -1.714 1.00 0.30 H new ATOM 0 HG LEU A 29 12.015 -0.984 -0.174 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.850 0.628 -0.464 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.788 -0.554 -1.793 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.180 1.099 -2.044 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.796 1.354 0.651 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.043 1.816 -0.894 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.218 0.672 0.191 1.00 0.31 H new ATOM 394 N ASP A 30 13.713 -2.584 -2.618 1.00 0.34 N ATOM 395 CA ASP A 30 15.053 -2.710 -3.177 1.00 0.39 C ATOM 396 C ASP A 30 15.031 -3.714 -4.316 1.00 0.43 C ATOM 397 O ASP A 30 15.739 -3.573 -5.310 1.00 0.49 O ATOM 398 CB ASP A 30 16.049 -3.161 -2.109 1.00 0.41 C ATOM 399 CG ASP A 30 17.489 -2.946 -2.533 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.083 -3.874 -3.123 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.031 -1.849 -2.285 1.00 0.63 O ATOM 0 H ASP A 30 13.612 -2.950 -1.671 1.00 0.34 H new ATOM 0 HA ASP A 30 15.369 -1.736 -3.549 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.860 -2.614 -1.185 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.891 -4.217 -1.892 1.00 0.41 H new ATOM 406 N GLU A 31 14.177 -4.715 -4.171 1.00 0.43 N ATOM 407 CA GLU A 31 14.029 -5.756 -5.169 1.00 0.49 C ATOM 408 C GLU A 31 13.185 -5.247 -6.330 1.00 0.51 C ATOM 409 O GLU A 31 13.277 -5.740 -7.455 1.00 0.62 O ATOM 410 CB GLU A 31 13.352 -6.968 -4.537 1.00 0.52 C ATOM 411 CG GLU A 31 13.885 -8.288 -5.045 1.00 0.97 C ATOM 412 CD GLU A 31 13.169 -9.475 -4.438 1.00 1.46 C ATOM 413 OE1 GLU A 31 12.341 -10.100 -5.135 1.00 1.76 O ATOM 414 OE2 GLU A 31 13.427 -9.787 -3.258 1.00 2.07 O ATOM 0 H GLU A 31 13.569 -4.826 -3.359 1.00 0.43 H new ATOM 0 HA GLU A 31 15.013 -6.039 -5.543 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.482 -6.924 -3.456 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.281 -6.919 -4.731 1.00 0.52 H new ATOM 0 HG2 GLU A 31 13.785 -8.323 -6.130 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.950 -8.357 -4.821 1.00 0.97 H new ATOM 421 N LEU A 32 12.371 -4.245 -6.038 1.00 0.52 N ATOM 422 CA LEU A 32 11.419 -3.712 -7.000 1.00 0.58 C ATOM 423 C LEU A 32 11.956 -2.468 -7.702 1.00 0.61 C ATOM 424 O LEU A 32 11.321 -1.934 -8.614 1.00 0.71 O ATOM 425 CB LEU A 32 10.107 -3.391 -6.284 1.00 0.56 C ATOM 426 CG LEU A 32 9.282 -4.608 -5.864 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.097 -4.178 -5.017 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.807 -5.384 -7.084 1.00 0.64 C ATOM 0 H LEU A 32 12.351 -3.779 -5.131 1.00 0.52 H new ATOM 0 HA LEU A 32 11.249 -4.467 -7.768 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.331 -2.800 -5.396 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.498 -2.767 -6.938 1.00 0.56 H new ATOM 0 HG LEU A 32 9.918 -5.262 -5.268 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.520 -5.056 -4.726 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.455 -3.667 -4.123 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.464 -3.502 -5.593 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.222 -6.246 -6.762 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.189 -4.738 -7.708 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.669 -5.725 -7.657 1.00 0.64 H new ATOM 440 N GLY A 33 13.125 -2.015 -7.260 1.00 0.57 N ATOM 441 CA GLY A 33 13.777 -0.873 -7.877 1.00 0.62 C ATOM 442 C GLY A 33 13.034 0.427 -7.644 1.00 0.63 C ATOM 443 O GLY A 33 12.865 1.224 -8.568 1.00 0.75 O ATOM 0 H GLY A 33 13.637 -2.423 -6.478 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.789 -0.783 -7.483 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.866 -1.047 -8.949 1.00 0.62 H new ATOM 447 N ILE A 34 12.593 0.648 -6.415 1.00 0.54 N ATOM 448 CA ILE A 34 11.837 1.848 -6.084 1.00 0.58 C ATOM 449 C ILE A 34 12.748 2.905 -5.473 1.00 0.65 C ATOM 450 O ILE A 34 13.706 2.579 -4.771 1.00 0.68 O ATOM 451 CB ILE A 34 10.688 1.538 -5.097 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.910 0.309 -5.573 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.759 2.739 -4.966 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.808 -0.119 -4.630 1.00 0.56 C ATOM 0 H ILE A 34 12.745 0.014 -5.631 1.00 0.54 H new ATOM 0 HA ILE A 34 11.409 2.226 -7.013 1.00 0.58 H new ATOM 0 HB ILE A 34 11.114 1.327 -4.116 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.477 0.521 -6.551 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.605 -0.520 -5.705 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.956 2.503 -4.268 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.322 3.596 -4.596 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.334 2.978 -5.941 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.302 -0.995 -5.035 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.236 -0.364 -3.658 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.090 0.694 -4.516 1.00 0.56 H new ATOM 466 N VAL A 35 12.457 4.162 -5.762 1.00 0.77 N ATOM 467 CA VAL A 35 13.188 5.275 -5.182 1.00 0.89 C ATOM 468 C VAL A 35 12.312 5.987 -4.158 1.00 0.74 C ATOM 469 O VAL A 35 11.262 6.536 -4.500 1.00 0.90 O ATOM 470 CB VAL A 35 13.630 6.286 -6.262 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.455 7.406 -5.648 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.411 5.589 -7.365 1.00 1.87 C ATOM 0 H VAL A 35 11.712 4.438 -6.401 1.00 0.77 H new ATOM 0 HA VAL A 35 14.080 4.874 -4.701 1.00 0.89 H new ATOM 0 HB VAL A 35 12.734 6.724 -6.702 1.00 1.24 H new ATOM 0 HG11 VAL A 35 14.755 8.106 -6.428 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.859 7.929 -4.900 1.00 1.84 H new ATOM 0 HG13 VAL A 35 15.343 6.987 -5.175 1.00 1.84 H new ATOM 0 HG21 VAL A 35 14.712 6.320 -8.115 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.298 5.118 -6.941 1.00 1.87 H new ATOM 0 HG23 VAL A 35 13.784 4.829 -7.831 1.00 1.87 H new ATOM 482 N LEU A 36 12.730 5.962 -2.904 1.00 0.70 N ATOM 483 CA LEU A 36 11.967 6.594 -1.839 1.00 0.66 C ATOM 484 C LEU A 36 12.400 8.042 -1.633 1.00 0.68 C ATOM 485 O LEU A 36 13.589 8.346 -1.542 1.00 0.84 O ATOM 486 CB LEU A 36 12.104 5.796 -0.530 1.00 0.86 C ATOM 487 CG LEU A 36 13.510 5.288 -0.202 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.307 6.344 0.538 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.433 4.003 0.601 1.00 2.76 C ATOM 0 H LEU A 36 13.592 5.512 -2.598 1.00 0.70 H new ATOM 0 HA LEU A 36 10.918 6.598 -2.135 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.764 6.424 0.293 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.431 4.940 -0.577 1.00 0.86 H new ATOM 0 HG LEU A 36 14.027 5.076 -1.138 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.302 5.959 0.760 1.00 2.62 H new ATOM 0 HD12 LEU A 36 14.393 7.236 -0.082 1.00 2.62 H new ATOM 0 HD13 LEU A 36 13.800 6.597 1.469 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.441 3.654 0.827 1.00 2.76 H new ATOM 0 HD22 LEU A 36 12.896 4.187 1.531 1.00 2.76 H new ATOM 0 HD23 LEU A 36 12.907 3.243 0.023 1.00 2.76 H new ATOM 501 N GLU A 37 11.427 8.937 -1.603 1.00 0.72 N ATOM 502 CA GLU A 37 11.677 10.315 -1.208 1.00 0.84 C ATOM 503 C GLU A 37 11.465 10.444 0.292 1.00 0.76 C ATOM 504 O GLU A 37 12.055 11.296 0.955 1.00 0.88 O ATOM 505 CB GLU A 37 10.763 11.285 -1.961 1.00 1.02 C ATOM 506 CG GLU A 37 11.015 11.323 -3.460 1.00 1.42 C ATOM 507 CD GLU A 37 10.243 12.428 -4.151 1.00 2.06 C ATOM 508 OE1 GLU A 37 9.085 12.192 -4.556 1.00 2.65 O ATOM 509 OE2 GLU A 37 10.793 13.540 -4.301 1.00 2.58 O ATOM 0 H GLU A 37 10.457 8.736 -1.847 1.00 0.72 H new ATOM 0 HA GLU A 37 12.705 10.574 -1.461 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.725 11.004 -1.783 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.897 12.287 -1.553 1.00 1.02 H new ATOM 0 HG2 GLU A 37 12.081 11.460 -3.642 1.00 1.42 H new ATOM 0 HG3 GLU A 37 10.738 10.363 -3.896 1.00 1.42 H new ATOM 516 N ASP A 38 10.619 9.567 0.814 1.00 0.61 N ATOM 517 CA ASP A 38 10.331 9.496 2.230 1.00 0.54 C ATOM 518 C ASP A 38 10.246 8.036 2.631 1.00 0.41 C ATOM 519 O ASP A 38 9.196 7.409 2.486 1.00 0.39 O ATOM 520 CB ASP A 38 9.012 10.200 2.565 1.00 0.60 C ATOM 521 CG ASP A 38 9.083 11.703 2.396 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.559 12.390 3.322 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.671 12.203 1.328 1.00 2.29 O ATOM 0 H ASP A 38 10.111 8.880 0.257 1.00 0.61 H new ATOM 0 HA ASP A 38 11.127 9.999 2.779 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.223 9.805 1.925 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.734 9.968 3.593 1.00 0.60 H new ATOM 528 N PRO A 39 11.349 7.461 3.127 1.00 0.41 N ATOM 529 CA PRO A 39 11.394 6.043 3.495 1.00 0.40 C ATOM 530 C PRO A 39 10.523 5.752 4.712 1.00 0.32 C ATOM 531 O PRO A 39 10.349 4.604 5.117 1.00 0.35 O ATOM 532 CB PRO A 39 12.868 5.801 3.831 1.00 0.57 C ATOM 533 CG PRO A 39 13.404 7.143 4.200 1.00 0.64 C ATOM 534 CD PRO A 39 12.634 8.143 3.379 1.00 0.57 C ATOM 0 HA PRO A 39 11.019 5.400 2.698 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.975 5.094 4.653 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.404 5.382 2.979 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.276 7.334 5.266 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.472 7.207 3.990 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.493 9.081 3.917 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.151 8.383 2.450 1.00 0.57 H new ATOM 542 N THR A 40 9.955 6.809 5.267 1.00 0.30 N ATOM 543 CA THR A 40 9.174 6.716 6.488 1.00 0.31 C ATOM 544 C THR A 40 7.712 6.402 6.192 1.00 0.28 C ATOM 545 O THR A 40 6.872 6.396 7.093 1.00 0.48 O ATOM 546 CB THR A 40 9.264 8.027 7.287 1.00 0.42 C ATOM 547 OG1 THR A 40 9.109 9.146 6.400 1.00 0.51 O ATOM 548 CG2 THR A 40 10.597 8.130 8.010 1.00 0.49 C ATOM 0 H THR A 40 10.022 7.753 4.885 1.00 0.30 H new ATOM 0 HA THR A 40 9.590 5.901 7.079 1.00 0.31 H new ATOM 0 HB THR A 40 8.466 8.033 8.030 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.165 9.980 6.912 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.637 9.065 8.568 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.703 7.292 8.699 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.408 8.107 7.282 1.00 0.49 H new ATOM 556 N VAL A 41 7.410 6.141 4.929 1.00 0.20 N ATOM 557 CA VAL A 41 6.051 5.816 4.532 1.00 0.17 C ATOM 558 C VAL A 41 5.829 4.312 4.541 1.00 0.14 C ATOM 559 O VAL A 41 6.779 3.524 4.476 1.00 0.15 O ATOM 560 CB VAL A 41 5.707 6.367 3.131 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.940 7.865 3.073 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.496 5.657 2.041 1.00 0.23 C ATOM 0 H VAL A 41 8.086 6.148 4.165 1.00 0.20 H new ATOM 0 HA VAL A 41 5.393 6.290 5.261 1.00 0.17 H new ATOM 0 HB VAL A 41 4.650 6.173 2.951 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.692 8.234 2.078 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.309 8.360 3.811 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.987 8.079 3.289 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.228 6.071 1.069 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.563 5.798 2.214 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.263 4.592 2.058 1.00 0.23 H new ATOM 572 N LEU A 42 4.570 3.924 4.640 1.00 0.14 N ATOM 573 CA LEU A 42 4.193 2.526 4.566 1.00 0.14 C ATOM 574 C LEU A 42 3.956 2.134 3.122 1.00 0.12 C ATOM 575 O LEU A 42 3.221 2.813 2.400 1.00 0.15 O ATOM 576 CB LEU A 42 2.928 2.257 5.387 1.00 0.16 C ATOM 577 CG LEU A 42 3.058 2.485 6.894 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.724 2.254 7.581 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.121 1.572 7.477 1.00 0.22 C ATOM 0 H LEU A 42 3.787 4.564 4.773 1.00 0.14 H new ATOM 0 HA LEU A 42 5.006 1.929 4.978 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.129 2.894 5.009 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.620 1.225 5.219 1.00 0.16 H new ATOM 0 HG LEU A 42 3.359 3.519 7.064 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.833 2.420 8.653 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.984 2.946 7.180 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.396 1.230 7.404 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.202 1.746 8.550 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.846 0.533 7.298 1.00 0.22 H new ATOM 0 HD23 LEU A 42 5.080 1.781 7.003 1.00 0.22 H new ATOM 591 N ILE A 43 4.594 1.058 2.699 1.00 0.11 N ATOM 592 CA ILE A 43 4.382 0.539 1.365 1.00 0.10 C ATOM 593 C ILE A 43 3.561 -0.736 1.426 1.00 0.11 C ATOM 594 O ILE A 43 3.819 -1.624 2.243 1.00 0.15 O ATOM 595 CB ILE A 43 5.698 0.287 0.594 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.735 -0.414 1.469 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.251 1.600 0.063 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.956 -0.871 0.699 1.00 0.14 C ATOM 0 H ILE A 43 5.261 0.529 3.260 1.00 0.11 H new ATOM 0 HA ILE A 43 3.838 1.306 0.814 1.00 0.10 H new ATOM 0 HB ILE A 43 5.476 -0.372 -0.245 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.047 0.263 2.264 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.272 -1.277 1.949 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.178 1.412 -0.479 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.524 2.056 -0.609 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.448 2.275 0.896 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.653 -1.361 1.379 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.654 -1.573 -0.079 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.441 -0.009 0.241 1.00 0.14 H new ATOM 610 N GLY A 44 2.559 -0.804 0.573 1.00 0.13 N ATOM 611 CA GLY A 44 1.652 -1.920 0.586 1.00 0.16 C ATOM 612 C GLY A 44 1.855 -2.858 -0.576 1.00 0.17 C ATOM 613 O GLY A 44 1.363 -2.618 -1.674 1.00 0.31 O ATOM 0 H GLY A 44 2.357 -0.098 -0.135 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.777 -2.472 1.517 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.627 -1.548 0.571 1.00 0.16 H new ATOM 617 N ASP A 45 2.575 -3.929 -0.332 1.00 0.18 N ATOM 618 CA ASP A 45 2.797 -4.942 -1.350 1.00 0.20 C ATOM 619 C ASP A 45 1.553 -5.809 -1.487 1.00 0.20 C ATOM 620 O ASP A 45 0.925 -6.166 -0.490 1.00 0.29 O ATOM 621 CB ASP A 45 4.012 -5.799 -0.996 1.00 0.32 C ATOM 622 CG ASP A 45 4.218 -6.942 -1.968 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.807 -6.713 -3.043 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.788 -8.074 -1.665 1.00 0.57 O ATOM 0 H ASP A 45 3.020 -4.126 0.564 1.00 0.18 H new ATOM 0 HA ASP A 45 2.995 -4.452 -2.303 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.904 -5.172 -0.983 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.889 -6.200 0.010 1.00 0.32 H new ATOM 629 N GLY A 46 1.185 -6.122 -2.719 1.00 0.18 N ATOM 630 CA GLY A 46 -0.003 -6.918 -2.950 1.00 0.21 C ATOM 631 C GLY A 46 -1.271 -6.143 -2.665 1.00 0.18 C ATOM 632 O GLY A 46 -2.212 -6.674 -2.081 1.00 0.18 O ATOM 0 H GLY A 46 1.686 -5.840 -3.562 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -0.013 -7.262 -3.984 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.028 -7.806 -2.319 1.00 0.21 H new ATOM 636 N CYS A 47 -1.295 -4.885 -3.072 1.00 0.17 N ATOM 637 CA CYS A 47 -2.413 -4.008 -2.770 1.00 0.15 C ATOM 638 C CYS A 47 -3.283 -3.787 -3.992 1.00 0.19 C ATOM 639 O CYS A 47 -2.870 -3.155 -4.966 1.00 0.25 O ATOM 640 CB CYS A 47 -1.911 -2.667 -2.255 1.00 0.15 C ATOM 641 SG CYS A 47 -2.811 -2.059 -0.801 1.00 0.12 S ATOM 0 H CYS A 47 -0.550 -4.447 -3.614 1.00 0.17 H new ATOM 0 HA CYS A 47 -3.013 -4.491 -1.999 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.854 -2.757 -2.005 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.988 -1.929 -3.054 1.00 0.15 H new ATOM 646 N ASP A 48 -4.482 -4.328 -3.939 1.00 0.19 N ATOM 647 CA ASP A 48 -5.456 -4.124 -5.000 1.00 0.24 C ATOM 648 C ASP A 48 -6.485 -3.079 -4.599 1.00 0.21 C ATOM 649 O ASP A 48 -6.938 -3.038 -3.453 1.00 0.19 O ATOM 650 CB ASP A 48 -6.135 -5.439 -5.374 1.00 0.30 C ATOM 651 CG ASP A 48 -7.437 -5.260 -6.134 1.00 1.50 C ATOM 652 OD1 ASP A 48 -7.396 -5.113 -7.371 1.00 2.21 O ATOM 653 OD2 ASP A 48 -8.508 -5.237 -5.491 1.00 2.02 O ATOM 0 H ASP A 48 -4.810 -4.915 -3.172 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.926 -3.755 -5.878 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -5.450 -6.032 -5.980 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.331 -6.008 -4.465 1.00 0.30 H new ATOM 658 N PRO A 49 -6.835 -2.208 -5.548 1.00 0.26 N ATOM 659 CA PRO A 49 -7.845 -1.166 -5.359 1.00 0.28 C ATOM 660 C PRO A 49 -9.198 -1.757 -4.983 1.00 0.31 C ATOM 661 O PRO A 49 -9.780 -2.525 -5.753 1.00 0.37 O ATOM 662 CB PRO A 49 -7.935 -0.488 -6.730 1.00 0.35 C ATOM 663 CG PRO A 49 -6.696 -0.876 -7.461 1.00 0.44 C ATOM 664 CD PRO A 49 -6.263 -2.196 -6.898 1.00 0.34 C ATOM 0 HA PRO A 49 -7.579 -0.483 -4.552 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.825 -0.814 -7.269 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -8.004 0.595 -6.626 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.886 -0.955 -8.531 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.917 -0.125 -7.330 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.635 -3.027 -7.497 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -5.177 -2.283 -6.872 1.00 0.34 H new ATOM 672 N ILE A 50 -9.703 -1.393 -3.811 1.00 0.30 N ATOM 673 CA ILE A 50 -10.959 -1.943 -3.326 1.00 0.36 C ATOM 674 C ILE A 50 -12.137 -1.229 -3.970 1.00 0.43 C ATOM 675 O ILE A 50 -12.478 -0.106 -3.600 1.00 0.46 O ATOM 676 CB ILE A 50 -11.090 -1.841 -1.792 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.827 -2.364 -1.111 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.298 -2.631 -1.317 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.863 -2.259 0.400 1.00 0.31 C ATOM 0 H ILE A 50 -9.263 -0.722 -3.182 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.964 -2.998 -3.600 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.222 -0.792 -1.526 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.679 -3.407 -1.391 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.967 -1.809 -1.485 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.381 -2.552 -0.233 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.200 -2.230 -1.780 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.181 -3.678 -1.597 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.933 -2.649 0.814 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.979 -1.215 0.689 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.703 -2.838 0.785 1.00 0.31 H new ATOM 691 N THR A 51 -12.739 -1.878 -4.949 1.00 0.54 N ATOM 692 CA THR A 51 -13.881 -1.313 -5.646 1.00 0.64 C ATOM 693 C THR A 51 -14.992 -2.352 -5.788 1.00 0.79 C ATOM 694 O THR A 51 -15.925 -2.194 -6.578 1.00 0.88 O ATOM 695 CB THR A 51 -13.465 -0.766 -7.033 1.00 0.66 C ATOM 696 OG1 THR A 51 -14.589 -0.191 -7.710 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.848 -1.861 -7.894 1.00 0.70 C ATOM 0 H THR A 51 -12.456 -2.800 -5.281 1.00 0.54 H new ATOM 0 HA THR A 51 -14.262 -0.481 -5.054 1.00 0.64 H new ATOM 0 HB THR A 51 -12.716 0.009 -6.869 1.00 0.66 H new ATOM 0 HG1 THR A 51 -15.397 -0.700 -7.493 1.00 0.78 H new ATOM 0 HG21 THR A 51 -12.566 -1.447 -8.862 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.963 -2.259 -7.398 1.00 0.70 H new ATOM 0 HG23 THR A 51 -13.573 -2.662 -8.039 1.00 0.70 H new ATOM 705 N VAL A 52 -14.890 -3.409 -5.002 1.00 0.88 N ATOM 706 CA VAL A 52 -15.884 -4.461 -5.002 1.00 1.10 C ATOM 707 C VAL A 52 -16.346 -4.738 -3.573 1.00 1.38 C ATOM 708 O VAL A 52 -15.606 -4.462 -2.624 1.00 1.44 O ATOM 709 CB VAL A 52 -15.316 -5.754 -5.625 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.374 -6.466 -4.662 1.00 1.17 C ATOM 711 CG2 VAL A 52 -16.437 -6.672 -6.058 1.00 1.44 C ATOM 0 H VAL A 52 -14.120 -3.560 -4.350 1.00 0.88 H new ATOM 0 HA VAL A 52 -16.732 -4.132 -5.602 1.00 1.10 H new ATOM 0 HB VAL A 52 -14.738 -5.476 -6.506 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -13.991 -7.373 -5.131 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.542 -5.807 -4.413 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.914 -6.728 -3.752 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -16.017 -7.578 -6.495 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -17.047 -6.935 -5.193 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -17.056 -6.166 -6.798 1.00 1.44 H new ATOM 721 N ALA A 53 -17.569 -5.252 -3.433 1.00 1.71 N ATOM 722 CA ALA A 53 -18.129 -5.664 -2.140 1.00 2.11 C ATOM 723 C ALA A 53 -18.444 -4.472 -1.235 1.00 2.05 C ATOM 724 O ALA A 53 -19.601 -4.234 -0.891 1.00 2.54 O ATOM 725 CB ALA A 53 -17.206 -6.648 -1.433 1.00 2.94 C ATOM 0 H ALA A 53 -18.205 -5.396 -4.217 1.00 1.71 H new ATOM 0 HA ALA A 53 -19.074 -6.165 -2.352 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -17.645 -6.937 -0.478 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -17.074 -7.534 -2.054 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -16.238 -6.179 -1.260 1.00 2.94 H new ATOM 731 N GLY A 54 -17.418 -3.726 -0.854 1.00 2.23 N ATOM 732 CA GLY A 54 -17.603 -2.593 0.029 1.00 2.81 C ATOM 733 C GLY A 54 -16.284 -1.971 0.430 1.00 2.91 C ATOM 734 O GLY A 54 -15.571 -1.423 -0.411 1.00 3.50 O ATOM 0 H GLY A 54 -16.453 -3.887 -1.143 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -18.222 -1.844 -0.465 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -18.141 -2.912 0.922 1.00 2.81 H new ATOM 738 N SER A 55 -15.955 -2.052 1.711 1.00 2.88 N ATOM 739 CA SER A 55 -14.690 -1.528 2.209 1.00 3.27 C ATOM 740 C SER A 55 -14.212 -2.309 3.432 1.00 2.84 C ATOM 741 O SER A 55 -13.015 -2.541 3.599 1.00 3.08 O ATOM 742 CB SER A 55 -14.815 -0.039 2.545 1.00 4.15 C ATOM 743 OG SER A 55 -15.110 0.721 1.384 1.00 4.90 O ATOM 0 H SER A 55 -16.547 -2.476 2.426 1.00 2.88 H new ATOM 0 HA SER A 55 -13.948 -1.646 1.419 1.00 3.27 H new ATOM 0 HB2 SER A 55 -15.600 0.105 3.288 1.00 4.15 H new ATOM 0 HB3 SER A 55 -13.886 0.316 2.990 1.00 4.15 H new ATOM 0 HG SER A 55 -15.187 1.668 1.624 1.00 4.90 H new ATOM 749 N SER A 56 -15.144 -2.717 4.284 1.00 2.68 N ATOM 750 CA SER A 56 -14.796 -3.492 5.463 1.00 2.71 C ATOM 751 C SER A 56 -14.618 -4.965 5.102 1.00 2.12 C ATOM 752 O SER A 56 -13.523 -5.516 5.217 1.00 2.50 O ATOM 753 CB SER A 56 -15.868 -3.330 6.539 1.00 3.33 C ATOM 754 OG SER A 56 -16.068 -1.963 6.860 1.00 4.06 O ATOM 0 H SER A 56 -16.140 -2.525 4.180 1.00 2.68 H new ATOM 0 HA SER A 56 -13.850 -3.119 5.857 1.00 2.71 H new ATOM 0 HB2 SER A 56 -16.805 -3.766 6.192 1.00 3.33 H new ATOM 0 HB3 SER A 56 -15.574 -3.878 7.434 1.00 3.33 H new ATOM 0 HG SER A 56 -16.760 -1.887 7.550 1.00 4.06 H new ATOM 760 N ASP A 57 -15.689 -5.587 4.623 1.00 1.64 N ATOM 761 CA ASP A 57 -15.656 -6.997 4.245 1.00 1.50 C ATOM 762 C ASP A 57 -15.257 -7.126 2.776 1.00 1.07 C ATOM 763 O ASP A 57 -15.816 -7.914 2.013 1.00 1.44 O ATOM 764 CB ASP A 57 -17.021 -7.646 4.503 1.00 2.15 C ATOM 765 CG ASP A 57 -16.996 -9.155 4.350 1.00 2.62 C ATOM 766 OD1 ASP A 57 -17.613 -9.671 3.393 1.00 3.12 O ATOM 767 OD2 ASP A 57 -16.346 -9.832 5.173 1.00 3.13 O ATOM 0 H ASP A 57 -16.594 -5.137 4.486 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.915 -7.517 4.852 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -17.353 -7.394 5.510 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -17.753 -7.228 3.812 1.00 2.15 H new ATOM 772 N ALA A 58 -14.282 -6.323 2.386 1.00 0.67 N ATOM 773 CA ALA A 58 -13.795 -6.313 1.019 1.00 0.66 C ATOM 774 C ALA A 58 -12.279 -6.427 0.996 1.00 0.60 C ATOM 775 O ALA A 58 -11.630 -6.116 0.000 1.00 0.83 O ATOM 776 CB ALA A 58 -14.248 -5.048 0.311 1.00 0.99 C ATOM 0 H ALA A 58 -13.809 -5.664 3.004 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.210 -7.172 0.492 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.877 -5.052 -0.714 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.337 -5.006 0.302 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.856 -4.177 0.836 1.00 0.99 H new ATOM 782 N CYS A 59 -11.719 -6.873 2.108 1.00 0.45 N ATOM 783 CA CYS A 59 -10.282 -7.034 2.231 1.00 0.54 C ATOM 784 C CYS A 59 -9.972 -8.145 3.218 1.00 0.55 C ATOM 785 O CYS A 59 -10.483 -8.149 4.337 1.00 0.74 O ATOM 786 CB CYS A 59 -9.633 -5.729 2.690 1.00 0.73 C ATOM 787 SG CYS A 59 -7.820 -5.821 2.828 1.00 0.74 S ATOM 0 H CYS A 59 -12.243 -7.131 2.944 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.875 -7.297 1.255 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.895 -4.937 1.989 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.048 -5.448 3.658 1.00 0.73 H new ATOM 792 N SER A 60 -9.147 -9.092 2.798 1.00 0.64 N ATOM 793 CA SER A 60 -8.808 -10.223 3.638 1.00 0.86 C ATOM 794 C SER A 60 -7.516 -9.968 4.407 1.00 0.71 C ATOM 795 O SER A 60 -7.395 -10.354 5.572 1.00 1.05 O ATOM 796 CB SER A 60 -8.684 -11.490 2.793 1.00 1.24 C ATOM 797 OG SER A 60 -8.470 -12.634 3.606 1.00 2.14 O ATOM 0 H SER A 60 -8.702 -9.097 1.880 1.00 0.64 H new ATOM 0 HA SER A 60 -9.610 -10.360 4.364 1.00 0.86 H new ATOM 0 HB2 SER A 60 -9.590 -11.626 2.202 1.00 1.24 H new ATOM 0 HB3 SER A 60 -7.858 -11.381 2.090 1.00 1.24 H new ATOM 0 HG SER A 60 -8.396 -13.429 3.038 1.00 2.14 H new ATOM 803 N ALA A 61 -6.555 -9.313 3.763 1.00 0.38 N ATOM 804 CA ALA A 61 -5.257 -9.081 4.380 1.00 0.32 C ATOM 805 C ALA A 61 -5.258 -7.804 5.227 1.00 0.32 C ATOM 806 O ALA A 61 -5.499 -7.858 6.433 1.00 0.54 O ATOM 807 CB ALA A 61 -4.152 -9.048 3.326 1.00 0.38 C ATOM 0 H ALA A 61 -6.651 -8.936 2.820 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.055 -9.915 5.052 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.192 -8.873 3.811 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.124 -10.001 2.798 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.351 -8.246 2.615 1.00 0.38 H new ATOM 813 N THR A 62 -4.993 -6.659 4.609 1.00 0.22 N ATOM 814 CA THR A 62 -4.946 -5.395 5.336 1.00 0.19 C ATOM 815 C THR A 62 -5.363 -4.226 4.439 1.00 0.18 C ATOM 816 O THR A 62 -4.870 -4.083 3.324 1.00 0.20 O ATOM 817 CB THR A 62 -3.527 -5.139 5.887 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.050 -6.306 6.577 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.517 -3.950 6.837 1.00 0.24 C ATOM 0 H THR A 62 -4.808 -6.579 3.609 1.00 0.22 H new ATOM 0 HA THR A 62 -5.648 -5.467 6.167 1.00 0.19 H new ATOM 0 HB THR A 62 -2.872 -4.917 5.044 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.149 -6.136 6.922 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.505 -3.791 7.211 1.00 0.24 H new ATOM 0 HG22 THR A 62 -3.852 -3.058 6.307 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.186 -4.148 7.674 1.00 0.24 H new ATOM 827 N ALA A 63 -6.267 -3.391 4.929 1.00 0.19 N ATOM 828 CA ALA A 63 -6.770 -2.264 4.158 1.00 0.20 C ATOM 829 C ALA A 63 -5.990 -1.006 4.490 1.00 0.17 C ATOM 830 O ALA A 63 -5.658 -0.756 5.650 1.00 0.19 O ATOM 831 CB ALA A 63 -8.253 -2.049 4.421 1.00 0.25 C ATOM 0 H ALA A 63 -6.669 -3.474 5.863 1.00 0.19 H new ATOM 0 HA ALA A 63 -6.638 -2.489 3.100 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.607 -1.202 3.834 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -8.806 -2.944 4.137 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.409 -1.847 5.481 1.00 0.25 H new ATOM 837 N VAL A 64 -5.694 -0.218 3.476 1.00 0.14 N ATOM 838 CA VAL A 64 -4.907 0.990 3.653 1.00 0.13 C ATOM 839 C VAL A 64 -5.362 2.090 2.704 1.00 0.14 C ATOM 840 O VAL A 64 -6.063 1.839 1.721 1.00 0.21 O ATOM 841 CB VAL A 64 -3.414 0.724 3.403 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.782 -0.061 4.545 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.246 -0.015 2.092 1.00 0.19 C ATOM 0 H VAL A 64 -5.988 -0.392 2.515 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.055 1.310 4.684 1.00 0.13 H new ATOM 0 HB VAL A 64 -2.899 1.683 3.349 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.727 -0.229 4.331 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -2.879 0.504 5.472 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.288 -1.021 4.651 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.187 -0.204 1.914 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -3.781 -0.963 2.138 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.648 0.590 1.279 1.00 0.19 H new ATOM 853 N CYS A 65 -4.960 3.306 3.022 1.00 0.17 N ATOM 854 CA CYS A 65 -5.223 4.459 2.182 1.00 0.17 C ATOM 855 C CYS A 65 -3.907 5.025 1.659 1.00 0.13 C ATOM 856 O CYS A 65 -3.137 5.612 2.420 1.00 0.14 O ATOM 857 CB CYS A 65 -5.976 5.524 2.985 1.00 0.23 C ATOM 858 SG CYS A 65 -6.196 7.115 2.122 1.00 0.39 S ATOM 0 H CYS A 65 -4.440 3.523 3.873 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.839 4.156 1.335 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.958 5.132 3.252 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.440 5.703 3.917 1.00 0.23 H new ATOM 863 N CYS A 66 -3.641 4.832 0.374 1.00 0.12 N ATOM 864 CA CYS A 66 -2.382 5.266 -0.218 1.00 0.13 C ATOM 865 C CYS A 66 -2.544 6.581 -0.969 1.00 0.16 C ATOM 866 O CYS A 66 -3.550 6.812 -1.643 1.00 0.23 O ATOM 867 CB CYS A 66 -1.848 4.186 -1.154 1.00 0.19 C ATOM 868 SG CYS A 66 -1.818 2.527 -0.406 1.00 0.65 S ATOM 0 H CYS A 66 -4.280 4.378 -0.279 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.668 5.430 0.589 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.463 4.159 -2.053 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -0.838 4.454 -1.466 1.00 0.19 H new ATOM 873 N SER A 67 -1.549 7.445 -0.833 1.00 0.24 N ATOM 874 CA SER A 67 -1.557 8.741 -1.490 1.00 0.29 C ATOM 875 C SER A 67 -0.755 8.708 -2.787 1.00 0.32 C ATOM 876 O SER A 67 -0.935 9.553 -3.666 1.00 0.41 O ATOM 877 CB SER A 67 -0.978 9.789 -0.545 1.00 0.35 C ATOM 878 OG SER A 67 -1.701 9.825 0.674 1.00 1.15 O ATOM 0 H SER A 67 -0.719 7.268 -0.268 1.00 0.24 H new ATOM 0 HA SER A 67 -2.587 8.997 -1.740 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.070 9.565 -0.345 1.00 0.35 H new ATOM 0 HB3 SER A 67 -1.009 10.770 -1.020 1.00 0.35 H new ATOM 0 HG SER A 67 -2.644 10.020 0.490 1.00 1.15 H new ATOM 884 N ASP A 68 0.127 7.730 -2.898 1.00 0.30 N ATOM 885 CA ASP A 68 1.004 7.619 -4.055 1.00 0.37 C ATOM 886 C ASP A 68 0.614 6.413 -4.903 1.00 0.44 C ATOM 887 O ASP A 68 0.286 5.350 -4.372 1.00 0.57 O ATOM 888 CB ASP A 68 2.459 7.508 -3.597 1.00 0.43 C ATOM 889 CG ASP A 68 3.437 7.493 -4.752 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.664 6.407 -5.328 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.979 8.558 -5.091 1.00 1.52 O ATOM 0 H ASP A 68 0.256 6.998 -2.199 1.00 0.30 H new ATOM 0 HA ASP A 68 0.898 8.515 -4.667 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.693 8.345 -2.939 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.582 6.598 -3.010 1.00 0.43 H new ATOM 896 N ASN A 69 0.649 6.581 -6.220 1.00 0.53 N ATOM 897 CA ASN A 69 0.196 5.537 -7.134 1.00 0.63 C ATOM 898 C ASN A 69 1.326 5.029 -8.024 1.00 0.59 C ATOM 899 O ASN A 69 1.082 4.532 -9.127 1.00 0.64 O ATOM 900 CB ASN A 69 -0.957 6.047 -8.004 1.00 0.84 C ATOM 901 CG ASN A 69 -2.258 6.203 -7.233 1.00 1.67 C ATOM 902 OD1 ASN A 69 -3.058 5.272 -7.150 1.00 2.35 O ATOM 903 ND2 ASN A 69 -2.487 7.383 -6.679 1.00 2.49 N ATOM 0 H ASN A 69 0.985 7.428 -6.679 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.151 4.704 -6.522 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -0.680 7.008 -8.438 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.113 5.356 -8.833 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -3.351 7.544 -6.162 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -1.799 8.131 -6.769 1.00 2.49 H new ATOM 910 N ASN A 70 2.563 5.148 -7.557 1.00 0.59 N ATOM 911 CA ASN A 70 3.707 4.631 -8.305 1.00 0.64 C ATOM 912 C ASN A 70 3.833 3.127 -8.075 1.00 0.55 C ATOM 913 O ASN A 70 4.736 2.653 -7.383 1.00 0.86 O ATOM 914 CB ASN A 70 4.991 5.347 -7.886 1.00 0.83 C ATOM 915 CG ASN A 70 6.198 4.926 -8.701 1.00 1.50 C ATOM 916 OD1 ASN A 70 6.076 4.559 -9.870 1.00 2.24 O ATOM 917 ND2 ASN A 70 7.372 4.983 -8.091 1.00 2.27 N ATOM 0 H ASN A 70 2.801 5.594 -6.671 1.00 0.59 H new ATOM 0 HA ASN A 70 3.549 4.816 -9.367 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.849 6.423 -7.986 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.184 5.148 -6.832 1.00 0.83 H new ATOM 0 HD21 ASN A 70 8.220 4.717 -8.591 1.00 2.27 H new ATOM 0 HD22 ASN A 70 7.428 5.293 -7.121 1.00 2.27 H new ATOM 924 N VAL A 71 2.907 2.381 -8.657 1.00 0.41 N ATOM 925 CA VAL A 71 2.806 0.958 -8.426 1.00 0.38 C ATOM 926 C VAL A 71 3.740 0.160 -9.334 1.00 0.33 C ATOM 927 O VAL A 71 4.008 0.543 -10.474 1.00 0.38 O ATOM 928 CB VAL A 71 1.352 0.483 -8.625 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.424 1.206 -7.660 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.893 0.695 -10.062 1.00 1.03 C ATOM 0 H VAL A 71 2.207 2.749 -9.301 1.00 0.41 H new ATOM 0 HA VAL A 71 3.111 0.778 -7.395 1.00 0.38 H new ATOM 0 HB VAL A 71 1.316 -0.586 -8.416 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.599 0.861 -7.811 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.730 0.996 -6.635 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.475 2.280 -7.841 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.135 0.350 -10.170 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.948 1.755 -10.309 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.537 0.131 -10.737 1.00 1.03 H new ATOM 940 N SER A 72 4.240 -0.947 -8.803 1.00 0.32 N ATOM 941 CA SER A 72 5.104 -1.853 -9.549 1.00 0.37 C ATOM 942 C SER A 72 4.283 -2.988 -10.151 1.00 0.42 C ATOM 943 O SER A 72 4.823 -3.922 -10.745 1.00 0.55 O ATOM 944 CB SER A 72 6.169 -2.427 -8.617 1.00 0.45 C ATOM 945 OG SER A 72 5.567 -3.143 -7.552 1.00 1.41 O ATOM 0 H SER A 72 4.059 -1.243 -7.844 1.00 0.32 H new ATOM 0 HA SER A 72 5.585 -1.300 -10.356 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.832 -3.087 -9.177 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.784 -1.620 -8.218 1.00 0.45 H new ATOM 0 HG SER A 72 6.084 -3.956 -7.371 1.00 1.41 H new ATOM 951 N GLY A 73 2.973 -2.888 -9.989 1.00 0.39 N ATOM 952 CA GLY A 73 2.080 -3.932 -10.438 1.00 0.48 C ATOM 953 C GLY A 73 1.149 -4.382 -9.345 1.00 0.41 C ATOM 954 O GLY A 73 0.004 -4.737 -9.614 1.00 0.48 O ATOM 0 H GLY A 73 2.509 -2.093 -9.549 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.497 -3.572 -11.286 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.664 -4.782 -10.791 1.00 0.48 H new ATOM 958 N VAL A 74 1.618 -4.348 -8.103 1.00 0.31 N ATOM 959 CA VAL A 74 0.760 -4.686 -6.977 1.00 0.28 C ATOM 960 C VAL A 74 0.989 -3.778 -5.774 1.00 0.22 C ATOM 961 O VAL A 74 0.126 -3.676 -4.914 1.00 0.34 O ATOM 962 CB VAL A 74 0.935 -6.149 -6.518 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.676 -7.116 -7.658 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.311 -6.374 -5.924 1.00 0.38 C ATOM 0 H VAL A 74 2.574 -4.094 -7.853 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.255 -4.543 -7.349 1.00 0.28 H new ATOM 0 HB VAL A 74 0.196 -6.341 -5.740 1.00 0.37 H new ATOM 0 HG11 VAL A 74 0.807 -8.139 -7.304 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.343 -6.985 -8.021 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.378 -6.920 -8.468 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.406 -7.413 -5.609 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.071 -6.151 -6.672 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.447 -5.720 -5.062 1.00 0.38 H new ATOM 974 N ILE A 75 2.146 -3.131 -5.691 1.00 0.18 N ATOM 975 CA ILE A 75 2.469 -2.356 -4.495 1.00 0.17 C ATOM 976 C ILE A 75 1.672 -1.067 -4.410 1.00 0.16 C ATOM 977 O ILE A 75 0.928 -0.706 -5.320 1.00 0.20 O ATOM 978 CB ILE A 75 3.956 -1.987 -4.398 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.364 -1.127 -5.582 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.801 -3.234 -4.329 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.494 -0.173 -5.280 1.00 0.30 C ATOM 0 H ILE A 75 2.862 -3.125 -6.418 1.00 0.18 H new ATOM 0 HA ILE A 75 2.206 -3.017 -3.669 1.00 0.17 H new ATOM 0 HB ILE A 75 4.116 -1.413 -3.485 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.659 -1.776 -6.406 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.499 -0.556 -5.920 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.853 -2.957 -4.261 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.521 -3.815 -3.451 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.641 -3.832 -5.226 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.729 0.407 -6.173 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.196 0.502 -4.477 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.374 -0.737 -4.971 1.00 0.30 H new ATOM 993 N ALA A 76 1.864 -0.385 -3.300 1.00 0.15 N ATOM 994 CA ALA A 76 1.232 0.887 -3.030 1.00 0.16 C ATOM 995 C ALA A 76 2.151 1.704 -2.135 1.00 0.14 C ATOM 996 O ALA A 76 2.803 1.149 -1.253 1.00 0.15 O ATOM 997 CB ALA A 76 -0.113 0.653 -2.367 1.00 0.18 C ATOM 0 H ALA A 76 2.474 -0.706 -2.548 1.00 0.15 H new ATOM 0 HA ALA A 76 1.061 1.436 -3.956 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.590 1.612 -2.163 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.748 0.065 -3.030 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.032 0.114 -1.431 1.00 0.18 H new ATOM 1003 N ILE A 77 2.236 3.002 -2.365 1.00 0.15 N ATOM 1004 CA ILE A 77 3.178 3.827 -1.616 1.00 0.16 C ATOM 1005 C ILE A 77 2.462 4.937 -0.848 1.00 0.16 C ATOM 1006 O ILE A 77 1.501 5.531 -1.341 1.00 0.21 O ATOM 1007 CB ILE A 77 4.250 4.431 -2.554 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.989 3.309 -3.293 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.236 5.293 -1.772 1.00 0.24 C ATOM 1010 CD1 ILE A 77 6.017 3.806 -4.284 1.00 0.26 C ATOM 0 H ILE A 77 1.675 3.505 -3.053 1.00 0.15 H new ATOM 0 HA ILE A 77 3.673 3.180 -0.892 1.00 0.16 H new ATOM 0 HB ILE A 77 3.751 5.069 -3.284 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.482 2.669 -2.562 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.261 2.691 -3.818 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.979 5.706 -2.454 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.700 6.107 -1.284 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.734 4.683 -1.018 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.498 2.955 -4.767 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.527 4.422 -5.038 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.768 4.399 -3.762 1.00 0.26 H new ATOM 1022 N GLY A 78 2.925 5.192 0.375 1.00 0.16 N ATOM 1023 CA GLY A 78 2.356 6.249 1.190 1.00 0.17 C ATOM 1024 C GLY A 78 0.982 5.888 1.702 1.00 0.15 C ATOM 1025 O GLY A 78 0.027 6.646 1.531 1.00 0.17 O ATOM 0 H GLY A 78 3.689 4.680 0.816 1.00 0.16 H new ATOM 0 HA2 GLY A 78 3.016 6.452 2.033 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.296 7.166 0.604 1.00 0.17 H new ATOM 1029 N CYS A 79 0.878 4.730 2.334 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.413 4.216 2.759 1.00 0.13 C ATOM 1031 C CYS A 79 -0.601 4.324 4.266 1.00 0.13 C ATOM 1032 O CYS A 79 0.351 4.201 5.034 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.563 2.763 2.318 1.00 0.15 C ATOM 1034 SG CYS A 79 -0.060 2.466 0.598 1.00 0.65 S ATOM 0 H CYS A 79 1.670 4.130 2.563 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.183 4.826 2.287 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.032 2.130 2.976 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.603 2.461 2.440 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.836 4.586 4.670 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.209 4.594 6.078 1.00 0.15 C ATOM 1041 C LEU A 80 -3.220 3.486 6.351 1.00 0.15 C ATOM 1042 O LEU A 80 -4.189 3.333 5.610 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.801 5.945 6.469 1.00 0.19 C ATOM 1044 CG LEU A 80 -1.857 7.139 6.305 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.589 8.440 6.590 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.650 6.993 7.223 1.00 0.26 C ATOM 0 H LEU A 80 -2.605 4.798 4.034 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.314 4.422 6.676 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.693 6.121 5.868 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.123 5.896 7.509 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.505 7.162 5.274 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.902 9.278 6.469 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.421 8.549 5.895 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -2.969 8.427 7.612 1.00 0.29 H new ATOM 0 HD21 LEU A 80 0.011 7.850 7.094 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -0.985 6.946 8.259 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.112 6.079 6.973 1.00 0.26 H new ATOM 1058 N PRO A 81 -2.994 2.696 7.409 1.00 0.15 N ATOM 1059 CA PRO A 81 -3.844 1.546 7.751 1.00 0.17 C ATOM 1060 C PRO A 81 -5.267 1.949 8.134 1.00 0.21 C ATOM 1061 O PRO A 81 -5.474 2.826 8.977 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.133 0.905 8.952 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.768 1.500 8.977 1.00 0.20 C ATOM 1064 CD PRO A 81 -1.891 2.862 8.362 1.00 0.17 C ATOM 0 HA PRO A 81 -3.961 0.877 6.899 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.667 1.112 9.879 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.086 -0.179 8.846 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.392 1.567 9.998 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.065 0.883 8.418 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.115 3.623 9.109 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -0.970 3.165 7.864 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.242 1.304 7.500 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.644 1.543 7.767 1.00 0.30 C ATOM 1074 C VAL A 82 -8.401 0.224 7.840 1.00 0.39 C ATOM 1075 O VAL A 82 -7.946 -0.782 7.294 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.284 2.417 6.672 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.858 3.870 6.814 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -7.938 1.896 5.286 1.00 0.20 C ATOM 0 H VAL A 82 -6.073 0.598 6.783 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.707 2.066 8.721 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.365 2.364 6.798 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.324 4.464 6.028 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.170 4.247 7.788 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.774 3.941 6.728 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.403 2.531 4.532 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -6.856 1.907 5.153 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.307 0.876 5.178 1.00 0.20 H new ATOM 1088 N THR A 83 -9.551 0.237 8.511 1.00 0.53 N ATOM 1089 CA THR A 83 -10.422 -0.928 8.593 1.00 0.70 C ATOM 1090 C THR A 83 -9.759 -2.085 9.374 1.00 1.46 C ATOM 1091 O THR A 83 -8.546 -2.084 9.597 1.00 2.07 O ATOM 1092 CB THR A 83 -10.798 -1.359 7.160 1.00 1.31 C ATOM 1093 OG1 THR A 83 -11.451 -0.276 6.480 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.697 -2.585 7.127 1.00 1.65 C ATOM 0 H THR A 83 -9.902 1.054 9.011 1.00 0.53 H new ATOM 0 HA THR A 83 -11.324 -0.665 9.145 1.00 0.70 H new ATOM 0 HB THR A 83 -9.868 -1.623 6.657 1.00 1.31 H new ATOM 0 HG1 THR A 83 -11.686 -0.555 5.570 1.00 1.98 H new ATOM 0 HG21 THR A 83 -11.927 -2.840 6.092 1.00 1.65 H new ATOM 0 HG22 THR A 83 -11.187 -3.423 7.602 1.00 1.65 H new ATOM 0 HG23 THR A 83 -12.622 -2.372 7.663 1.00 1.65 H new ATOM 1102 N LEU A 84 -10.570 -3.048 9.815 1.00 1.87 N ATOM 1103 CA LEU A 84 -10.082 -4.226 10.531 1.00 2.80 C ATOM 1104 C LEU A 84 -9.344 -3.829 11.806 1.00 3.45 C ATOM 1105 O LEU A 84 -8.166 -4.209 11.967 1.00 3.87 O ATOM 1106 CB LEU A 84 -9.176 -5.059 9.623 1.00 3.22 C ATOM 1107 CG LEU A 84 -9.892 -5.817 8.505 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -8.890 -6.363 7.503 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -10.732 -6.945 9.086 1.00 3.37 C ATOM 1110 OXT LEU A 84 -9.947 -3.118 12.639 1.00 3.91 O ATOM 0 H LEU A 84 -11.582 -3.033 9.686 1.00 1.87 H new ATOM 0 HA LEU A 84 -10.943 -4.830 10.818 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -8.433 -4.399 9.175 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -8.634 -5.778 10.238 1.00 3.22 H new ATOM 0 HG LEU A 84 -10.553 -5.123 7.985 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -9.419 -6.899 6.715 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -8.327 -5.539 7.066 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -8.204 -7.044 8.008 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -11.236 -7.476 8.279 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -10.087 -7.637 9.628 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -11.475 -6.531 9.768 1.00 3.37 H new TER 1122 LEU A 84