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= -4.18! C(o=-4.2!,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0257 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.329 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 150:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.63! K(o=-2.6!,f=-1.8) USER MOD Single : A 16 ASN : amide:sc= -9.81! C(o=-9.8!,f=-15!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 26 THR OG1 : rot -8:sc= 0.891 USER MOD Single : A 40 THR OG1 : rot -95:sc= 0.74 USER MOD Single : A 51 THR OG1 : rot -33:sc= 0.747 USER MOD Single : A 55 SER OG : rot 7:sc= 0.771 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0089 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.99) USER MOD Single : A 72 SER OG : rot -160:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.831 0.438 0.326 1.00 5.63 N ATOM 2 CA GLY A 1 -18.824 0.186 -0.731 1.00 4.92 C ATOM 3 C GLY A 1 -18.184 1.465 -1.227 1.00 4.01 C ATOM 4 O GLY A 1 -18.813 2.525 -1.225 1.00 4.29 O ATOM 0 H1 GLY A 1 -20.684 -0.124 0.134 1.00 5.63 H new ATOM 0 H2 GLY A 1 -19.439 0.167 1.251 1.00 5.63 H new ATOM 0 H3 GLY A 1 -20.077 1.448 0.337 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -18.052 -0.478 -0.344 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -19.298 -0.329 -1.567 1.00 4.92 H new ATOM 10 N SER A 2 -16.936 1.367 -1.658 1.00 3.39 N ATOM 11 CA SER A 2 -16.195 2.523 -2.126 1.00 2.92 C ATOM 12 C SER A 2 -15.539 2.214 -3.467 1.00 2.13 C ATOM 13 O SER A 2 -15.380 1.050 -3.839 1.00 2.36 O ATOM 14 CB SER A 2 -15.134 2.916 -1.091 1.00 3.61 C ATOM 15 OG SER A 2 -14.458 4.111 -1.462 1.00 4.28 O ATOM 0 H SER A 2 -16.414 0.491 -1.692 1.00 3.39 H new ATOM 0 HA SER A 2 -16.882 3.359 -2.259 1.00 2.92 H new ATOM 0 HB2 SER A 2 -15.607 3.052 -0.118 1.00 3.61 H new ATOM 0 HB3 SER A 2 -14.412 2.107 -0.984 1.00 3.61 H new ATOM 0 HG SER A 2 -13.790 4.334 -0.780 1.00 4.28 H new ATOM 21 N TRP A 3 -15.184 3.262 -4.194 1.00 1.93 N ATOM 22 CA TRP A 3 -14.493 3.116 -5.467 1.00 1.69 C ATOM 23 C TRP A 3 -13.050 3.584 -5.325 1.00 1.84 C ATOM 24 O TRP A 3 -12.414 3.989 -6.298 1.00 2.71 O ATOM 25 CB TRP A 3 -15.202 3.921 -6.562 1.00 2.33 C ATOM 26 CG TRP A 3 -16.608 3.475 -6.831 1.00 2.76 C ATOM 27 CD1 TRP A 3 -17.743 3.920 -6.218 1.00 3.47 C ATOM 28 CD2 TRP A 3 -17.027 2.499 -7.789 1.00 3.17 C ATOM 29 NE1 TRP A 3 -18.841 3.276 -6.734 1.00 4.11 N ATOM 30 CE2 TRP A 3 -18.427 2.398 -7.701 1.00 3.90 C ATOM 31 CE3 TRP A 3 -16.351 1.699 -8.712 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -19.163 1.529 -8.501 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -17.082 0.838 -9.507 1.00 4.30 C ATOM 34 CH2 TRP A 3 -18.475 0.757 -9.397 1.00 4.74 C ATOM 0 H TRP A 3 -15.364 4.229 -3.923 1.00 1.93 H new ATOM 0 HA TRP A 3 -14.504 2.064 -5.753 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -15.213 4.973 -6.276 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -14.625 3.848 -7.484 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -17.774 4.669 -5.441 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -19.807 3.427 -6.444 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -15.276 1.752 -8.803 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -20.238 1.466 -8.418 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -16.570 0.216 -10.226 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -19.017 0.072 -10.032 1.00 4.74 H new ATOM 45 N GLY A 4 -12.542 3.521 -4.100 1.00 1.61 N ATOM 46 CA GLY A 4 -11.208 4.014 -3.820 1.00 2.03 C ATOM 47 C GLY A 4 -11.240 5.395 -3.198 1.00 1.82 C ATOM 48 O GLY A 4 -10.227 6.090 -3.146 1.00 1.87 O ATOM 0 H GLY A 4 -13.033 3.136 -3.293 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -10.699 3.324 -3.148 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -10.630 4.044 -4.744 1.00 2.03 H new ATOM 52 N GLN A 5 -12.416 5.778 -2.713 1.00 1.92 N ATOM 53 CA GLN A 5 -12.630 7.101 -2.142 1.00 1.96 C ATOM 54 C GLN A 5 -12.035 7.197 -0.744 1.00 1.53 C ATOM 55 O GLN A 5 -12.368 6.405 0.136 1.00 1.64 O ATOM 56 CB GLN A 5 -14.125 7.401 -2.087 1.00 2.55 C ATOM 57 CG GLN A 5 -14.763 7.593 -3.451 1.00 3.13 C ATOM 58 CD GLN A 5 -16.274 7.665 -3.372 1.00 3.34 C ATOM 59 OE1 GLN A 5 -16.835 8.067 -2.355 1.00 3.26 O ATOM 60 NE2 GLN A 5 -16.940 7.286 -4.449 1.00 4.17 N ATOM 0 H GLN A 5 -13.244 5.182 -2.705 1.00 1.92 H new ATOM 0 HA GLN A 5 -12.131 7.833 -2.777 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -14.631 6.585 -1.571 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.284 8.301 -1.492 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -14.381 8.508 -3.903 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -14.474 6.770 -4.104 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -16.435 6.959 -5.272 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -17.959 7.321 -4.457 1.00 4.17 H new ATOM 69 N CYS A 6 -11.168 8.177 -0.548 1.00 1.29 N ATOM 70 CA CYS A 6 -10.484 8.365 0.721 1.00 0.94 C ATOM 71 C CYS A 6 -9.868 9.757 0.777 1.00 0.96 C ATOM 72 O CYS A 6 -9.375 10.265 -0.228 1.00 1.88 O ATOM 73 CB CYS A 6 -9.403 7.294 0.884 1.00 0.81 C ATOM 74 SG CYS A 6 -8.332 7.500 2.341 1.00 0.61 S ATOM 0 H CYS A 6 -10.919 8.862 -1.261 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.200 8.270 1.537 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.885 6.318 0.941 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -8.779 7.290 -0.010 1.00 0.81 H new ATOM 79 N SER A 7 -9.904 10.368 1.955 1.00 0.91 N ATOM 80 CA SER A 7 -9.410 11.729 2.138 1.00 0.99 C ATOM 81 C SER A 7 -7.883 11.787 2.089 1.00 1.25 C ATOM 82 O SER A 7 -7.300 12.863 1.971 1.00 1.82 O ATOM 83 CB SER A 7 -9.912 12.289 3.467 1.00 1.55 C ATOM 84 OG SER A 7 -11.329 12.237 3.538 1.00 2.40 O ATOM 0 H SER A 7 -10.273 9.939 2.804 1.00 0.91 H new ATOM 0 HA SER A 7 -9.792 12.337 1.317 1.00 0.99 H new ATOM 0 HB2 SER A 7 -9.482 11.720 4.291 1.00 1.55 H new ATOM 0 HB3 SER A 7 -9.576 13.320 3.582 1.00 1.55 H new ATOM 0 HG SER A 7 -11.627 12.599 4.398 1.00 2.40 H new ATOM 90 N THR A 8 -7.239 10.635 2.195 1.00 1.48 N ATOM 91 CA THR A 8 -5.792 10.566 2.081 1.00 2.09 C ATOM 92 C THR A 8 -5.393 10.317 0.629 1.00 1.70 C ATOM 93 O THR A 8 -4.326 10.739 0.178 1.00 2.23 O ATOM 94 CB THR A 8 -5.216 9.459 2.983 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.757 9.585 4.307 1.00 3.15 O ATOM 96 CG2 THR A 8 -3.698 9.532 3.047 1.00 3.75 C ATOM 0 H THR A 8 -7.695 9.737 2.359 1.00 1.48 H new ATOM 0 HA THR A 8 -5.380 11.520 2.409 1.00 2.09 H new ATOM 0 HB THR A 8 -5.495 8.495 2.556 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.807 8.700 4.726 1.00 3.15 H new ATOM 0 HG21 THR A 8 -3.322 8.737 3.692 1.00 3.75 H new ATOM 0 HG22 THR A 8 -3.285 9.412 2.045 1.00 3.75 H new ATOM 0 HG23 THR A 8 -3.397 10.499 3.450 1.00 3.75 H new ATOM 104 N GLY A 9 -6.276 9.657 -0.107 1.00 0.97 N ATOM 105 CA GLY A 9 -6.011 9.354 -1.496 1.00 0.72 C ATOM 106 C GLY A 9 -6.871 8.216 -2.006 1.00 0.71 C ATOM 107 O GLY A 9 -8.097 8.319 -2.037 1.00 1.12 O ATOM 0 H GLY A 9 -7.177 9.325 0.237 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -6.191 10.243 -2.101 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.959 9.094 -1.616 1.00 0.72 H new ATOM 111 N SER A 10 -6.229 7.131 -2.394 1.00 0.38 N ATOM 112 CA SER A 10 -6.922 5.970 -2.928 1.00 0.39 C ATOM 113 C SER A 10 -6.952 4.864 -1.882 1.00 0.28 C ATOM 114 O SER A 10 -6.093 4.816 -1.005 1.00 0.29 O ATOM 115 CB SER A 10 -6.219 5.488 -4.203 1.00 0.52 C ATOM 116 OG SER A 10 -6.917 4.415 -4.815 1.00 0.96 O ATOM 0 H SER A 10 -5.215 7.028 -2.349 1.00 0.38 H new ATOM 0 HA SER A 10 -7.948 6.241 -3.178 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.135 6.316 -4.907 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.205 5.171 -3.961 1.00 0.52 H new ATOM 0 HG SER A 10 -6.441 4.135 -5.625 1.00 0.96 H new ATOM 122 N ILE A 11 -7.963 4.008 -1.936 1.00 0.32 N ATOM 123 CA ILE A 11 -8.042 2.887 -1.015 1.00 0.27 C ATOM 124 C ILE A 11 -7.692 1.586 -1.704 1.00 0.20 C ATOM 125 O ILE A 11 -8.174 1.283 -2.797 1.00 0.26 O ATOM 126 CB ILE A 11 -9.427 2.757 -0.358 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.709 4.001 0.461 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.505 1.513 0.517 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.944 3.896 1.319 1.00 0.96 C ATOM 0 H ILE A 11 -8.733 4.068 -2.602 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.314 3.092 -0.230 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.180 2.657 -1.139 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.850 4.207 1.100 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.817 4.852 -0.212 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.495 1.447 0.968 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.324 0.628 -0.092 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.751 1.573 1.302 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.080 4.823 1.875 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.814 3.722 0.685 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.832 3.067 2.018 1.00 0.96 H new ATOM 141 N GLN A 12 -6.859 0.818 -1.042 1.00 0.13 N ATOM 142 CA GLN A 12 -6.438 -0.475 -1.549 1.00 0.10 C ATOM 143 C GLN A 12 -6.334 -1.487 -0.419 1.00 0.11 C ATOM 144 O GLN A 12 -6.295 -1.127 0.757 1.00 0.17 O ATOM 145 CB GLN A 12 -5.106 -0.397 -2.318 1.00 0.12 C ATOM 146 CG GLN A 12 -4.141 0.686 -1.852 1.00 0.22 C ATOM 147 CD GLN A 12 -4.427 2.051 -2.457 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.215 3.070 -1.817 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.857 2.087 -3.711 1.00 0.35 N ATOM 0 H GLN A 12 -6.453 1.067 -0.140 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.202 -0.803 -2.254 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.606 -1.362 -2.241 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.325 -0.234 -3.373 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.188 0.761 -0.766 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.124 0.390 -2.107 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.024 1.218 -4.218 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.020 2.984 -4.169 1.00 0.35 H new ATOM 158 N CYS A 13 -6.332 -2.753 -0.791 1.00 0.12 N ATOM 159 CA CYS A 13 -6.203 -3.837 0.160 1.00 0.16 C ATOM 160 C CYS A 13 -4.854 -4.508 -0.031 1.00 0.13 C ATOM 161 O CYS A 13 -4.644 -5.254 -0.991 1.00 0.15 O ATOM 162 CB CYS A 13 -7.351 -4.841 -0.011 1.00 0.25 C ATOM 163 SG CYS A 13 -7.177 -6.367 0.974 1.00 0.34 S ATOM 0 H CYS A 13 -6.420 -3.057 -1.761 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.261 -3.443 1.175 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.287 -4.353 0.261 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.427 -5.111 -1.064 1.00 0.25 H new ATOM 168 N CYS A 14 -3.936 -4.204 0.869 1.00 0.12 N ATOM 169 CA CYS A 14 -2.571 -4.687 0.772 1.00 0.12 C ATOM 170 C CYS A 14 -2.445 -6.059 1.393 1.00 0.15 C ATOM 171 O CYS A 14 -3.023 -6.332 2.445 1.00 0.19 O ATOM 172 CB CYS A 14 -1.611 -3.730 1.478 1.00 0.14 C ATOM 173 SG CYS A 14 -1.352 -2.130 0.644 1.00 0.13 S ATOM 0 H CYS A 14 -4.115 -3.618 1.684 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.313 -4.745 -0.286 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.987 -3.540 2.483 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.646 -4.225 1.587 1.00 0.14 H new ATOM 178 N GLN A 15 -1.688 -6.920 0.730 1.00 0.15 N ATOM 179 CA GLN A 15 -1.399 -8.234 1.256 1.00 0.16 C ATOM 180 C GLN A 15 -0.390 -8.095 2.395 1.00 0.18 C ATOM 181 O GLN A 15 -0.441 -8.835 3.377 1.00 0.23 O ATOM 182 CB GLN A 15 -0.915 -9.168 0.122 1.00 0.17 C ATOM 183 CG GLN A 15 0.573 -9.509 0.122 1.00 0.23 C ATOM 184 CD GLN A 15 0.950 -10.531 1.185 1.00 0.31 C ATOM 185 OE1 GLN A 15 2.065 -10.519 1.708 1.00 0.38 O ATOM 186 NE2 GLN A 15 0.020 -11.420 1.512 1.00 0.33 N ATOM 0 H GLN A 15 -1.264 -6.726 -0.177 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.298 -8.695 1.665 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.480 -10.098 0.179 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.161 -8.704 -0.833 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.852 -9.894 -0.859 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.149 -8.597 0.282 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -0.892 -11.396 1.055 1.00 0.33 H new ATOM 0 HE22 GLN A 15 0.217 -12.127 2.220 1.00 0.33 H new ATOM 195 N ASN A 16 0.524 -7.141 2.253 1.00 0.17 N ATOM 196 CA ASN A 16 1.413 -6.769 3.324 1.00 0.21 C ATOM 197 C ASN A 16 1.392 -5.257 3.501 1.00 0.21 C ATOM 198 O ASN A 16 1.134 -4.523 2.548 1.00 0.40 O ATOM 199 CB ASN A 16 2.833 -7.319 3.046 1.00 0.29 C ATOM 200 CG ASN A 16 3.857 -6.377 2.417 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.843 -5.160 2.566 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.798 -6.976 1.713 1.00 0.75 N ATOM 0 H ASN A 16 0.661 -6.612 1.392 1.00 0.17 H new ATOM 0 HA ASN A 16 1.080 -7.211 4.263 1.00 0.21 H new ATOM 0 HB2 ASN A 16 3.244 -7.676 3.991 1.00 0.29 H new ATOM 0 HB3 ASN A 16 2.733 -8.187 2.394 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.537 -6.425 1.277 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.786 -7.990 1.605 1.00 0.75 H new ATOM 209 N VAL A 17 1.622 -4.798 4.721 1.00 0.16 N ATOM 210 CA VAL A 17 1.759 -3.375 4.990 1.00 0.13 C ATOM 211 C VAL A 17 3.016 -3.142 5.812 1.00 0.14 C ATOM 212 O VAL A 17 3.038 -3.384 7.019 1.00 0.18 O ATOM 213 CB VAL A 17 0.536 -2.791 5.733 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.735 -1.307 6.004 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.739 -3.017 4.934 1.00 0.14 C ATOM 0 H VAL A 17 1.718 -5.393 5.544 1.00 0.16 H new ATOM 0 HA VAL A 17 1.826 -2.862 4.030 1.00 0.13 H new ATOM 0 HB VAL A 17 0.439 -3.309 6.687 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.136 -0.913 6.528 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.623 -1.165 6.620 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.860 -0.778 5.059 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.587 -2.598 5.476 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.651 -2.529 3.963 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.893 -4.086 4.790 1.00 0.14 H new ATOM 225 N VAL A 18 4.064 -2.690 5.150 1.00 0.12 N ATOM 226 CA VAL A 18 5.369 -2.564 5.779 1.00 0.13 C ATOM 227 C VAL A 18 5.980 -1.191 5.528 1.00 0.12 C ATOM 228 O VAL A 18 5.794 -0.603 4.465 1.00 0.12 O ATOM 229 CB VAL A 18 6.339 -3.651 5.265 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.974 -5.011 5.840 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.332 -3.704 3.743 1.00 0.13 C ATOM 0 H VAL A 18 4.038 -2.402 4.172 1.00 0.12 H new ATOM 0 HA VAL A 18 5.217 -2.692 6.851 1.00 0.13 H new ATOM 0 HB VAL A 18 7.344 -3.391 5.598 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.669 -5.763 5.466 1.00 0.18 H new ATOM 0 HG12 VAL A 18 6.031 -4.973 6.928 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.960 -5.273 5.539 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.022 -4.476 3.403 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.326 -3.935 3.392 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.643 -2.738 3.344 1.00 0.13 H new ATOM 241 N PRO A 19 6.690 -0.647 6.525 1.00 0.14 N ATOM 242 CA PRO A 19 7.454 0.590 6.362 1.00 0.15 C ATOM 243 C PRO A 19 8.507 0.466 5.269 1.00 0.12 C ATOM 244 O PRO A 19 9.153 -0.571 5.129 1.00 0.10 O ATOM 245 CB PRO A 19 8.117 0.797 7.728 1.00 0.17 C ATOM 246 CG PRO A 19 7.302 -0.009 8.680 1.00 0.19 C ATOM 247 CD PRO A 19 6.779 -1.176 7.895 1.00 0.17 C ATOM 0 HA PRO A 19 6.820 1.424 6.062 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.155 0.464 7.717 1.00 0.17 H new ATOM 0 HB3 PRO A 19 8.123 1.850 8.008 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.906 -0.345 9.523 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.484 0.583 9.091 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.450 -2.033 7.953 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.808 -1.506 8.263 1.00 0.17 H new ATOM 255 N GLY A 20 8.666 1.526 4.486 1.00 0.14 N ATOM 256 CA GLY A 20 9.638 1.519 3.406 1.00 0.13 C ATOM 257 C GLY A 20 11.065 1.412 3.907 1.00 0.14 C ATOM 258 O GLY A 20 11.964 1.018 3.167 1.00 0.18 O ATOM 0 H GLY A 20 8.138 2.394 4.579 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.428 0.684 2.738 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.530 2.431 2.819 1.00 0.13 H new ATOM 262 N ASP A 21 11.274 1.768 5.168 1.00 0.17 N ATOM 263 CA ASP A 21 12.584 1.648 5.794 1.00 0.21 C ATOM 264 C ASP A 21 12.600 0.439 6.728 1.00 0.19 C ATOM 265 O ASP A 21 13.486 0.281 7.567 1.00 0.23 O ATOM 266 CB ASP A 21 12.923 2.927 6.559 1.00 0.31 C ATOM 267 CG ASP A 21 14.387 3.013 6.946 1.00 1.23 C ATOM 268 OD1 ASP A 21 14.703 2.844 8.140 1.00 1.22 O ATOM 269 OD2 ASP A 21 15.225 3.264 6.057 1.00 2.27 O ATOM 0 H ASP A 21 10.549 2.144 5.780 1.00 0.17 H new ATOM 0 HA ASP A 21 13.339 1.503 5.022 1.00 0.21 H new ATOM 0 HB2 ASP A 21 12.663 3.790 5.947 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.311 2.979 7.459 1.00 0.31 H new ATOM 274 N SER A 22 11.604 -0.418 6.571 1.00 0.16 N ATOM 275 CA SER A 22 11.529 -1.648 7.336 1.00 0.17 C ATOM 276 C SER A 22 12.361 -2.723 6.667 1.00 0.16 C ATOM 277 O SER A 22 12.568 -2.673 5.459 1.00 0.14 O ATOM 278 CB SER A 22 10.077 -2.118 7.459 1.00 0.18 C ATOM 279 OG SER A 22 9.989 -3.401 8.050 1.00 0.24 O ATOM 0 H SER A 22 10.834 -0.281 5.917 1.00 0.16 H new ATOM 0 HA SER A 22 11.920 -1.458 8.336 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.513 -1.403 8.057 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.617 -2.140 6.471 1.00 0.18 H new ATOM 0 HG SER A 22 9.048 -3.668 8.114 1.00 0.24 H new ATOM 285 N ASP A 23 12.822 -3.689 7.439 1.00 0.20 N ATOM 286 CA ASP A 23 13.614 -4.790 6.895 1.00 0.22 C ATOM 287 C ASP A 23 12.893 -5.436 5.723 1.00 0.20 C ATOM 288 O ASP A 23 13.502 -5.767 4.702 1.00 0.22 O ATOM 289 CB ASP A 23 13.882 -5.843 7.969 1.00 0.29 C ATOM 290 CG ASP A 23 14.912 -5.402 8.987 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.545 -4.691 9.946 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.095 -5.776 8.846 1.00 0.61 O ATOM 0 H ASP A 23 12.665 -3.739 8.446 1.00 0.20 H new ATOM 0 HA ASP A 23 14.565 -4.382 6.551 1.00 0.22 H new ATOM 0 HB2 ASP A 23 12.949 -6.076 8.482 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.222 -6.762 7.492 1.00 0.29 H new ATOM 297 N LEU A 24 11.587 -5.596 5.869 1.00 0.20 N ATOM 298 CA LEU A 24 10.770 -6.141 4.798 1.00 0.21 C ATOM 299 C LEU A 24 10.620 -5.133 3.672 1.00 0.17 C ATOM 300 O LEU A 24 11.094 -5.365 2.564 1.00 0.18 O ATOM 301 CB LEU A 24 9.392 -6.555 5.310 1.00 0.26 C ATOM 302 CG LEU A 24 9.246 -8.037 5.653 1.00 0.35 C ATOM 303 CD1 LEU A 24 7.889 -8.305 6.284 1.00 1.03 C ATOM 304 CD2 LEU A 24 9.425 -8.886 4.400 1.00 1.11 C ATOM 0 H LEU A 24 11.072 -5.357 6.716 1.00 0.20 H new ATOM 0 HA LEU A 24 11.277 -7.027 4.416 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.160 -5.968 6.199 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.649 -6.298 4.555 1.00 0.26 H new ATOM 0 HG LEU A 24 10.020 -8.306 6.372 1.00 0.35 H new ATOM 0 HD11 LEU A 24 7.801 -9.365 6.522 1.00 1.03 H new ATOM 0 HD12 LEU A 24 7.790 -7.719 7.197 1.00 1.03 H new ATOM 0 HD13 LEU A 24 7.101 -8.024 5.585 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.319 -9.940 4.656 1.00 1.11 H new ATOM 0 HD22 LEU A 24 8.668 -8.613 3.665 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.416 -8.712 3.981 1.00 1.11 H new ATOM 316 N GLY A 25 9.992 -4.002 3.980 1.00 0.14 N ATOM 317 CA GLY A 25 9.697 -2.996 2.970 1.00 0.12 C ATOM 318 C GLY A 25 10.912 -2.586 2.160 1.00 0.12 C ATOM 319 O GLY A 25 10.830 -2.432 0.943 1.00 0.16 O ATOM 0 H GLY A 25 9.679 -3.761 4.920 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.932 -3.381 2.296 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.279 -2.115 3.456 1.00 0.12 H new ATOM 323 N THR A 26 12.043 -2.447 2.832 1.00 0.13 N ATOM 324 CA THR A 26 13.270 -2.006 2.190 1.00 0.16 C ATOM 325 C THR A 26 13.790 -3.066 1.232 1.00 0.20 C ATOM 326 O THR A 26 14.154 -2.766 0.095 1.00 0.24 O ATOM 327 CB THR A 26 14.346 -1.664 3.241 1.00 0.18 C ATOM 328 OG1 THR A 26 13.877 -0.609 4.086 1.00 0.20 O ATOM 329 CG2 THR A 26 15.650 -1.237 2.593 1.00 0.23 C ATOM 0 H THR A 26 12.136 -2.635 3.830 1.00 0.13 H new ATOM 0 HA THR A 26 13.044 -1.105 1.620 1.00 0.16 H new ATOM 0 HB THR A 26 14.534 -2.564 3.826 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.036 -0.254 3.730 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.382 -1.005 3.367 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.027 -2.046 1.968 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.479 -0.353 1.979 1.00 0.23 H new ATOM 337 N LEU A 27 13.791 -4.310 1.683 1.00 0.21 N ATOM 338 CA LEU A 27 14.241 -5.413 0.854 1.00 0.28 C ATOM 339 C LEU A 27 13.292 -5.579 -0.329 1.00 0.29 C ATOM 340 O LEU A 27 13.718 -5.843 -1.452 1.00 0.34 O ATOM 341 CB LEU A 27 14.310 -6.699 1.692 1.00 0.33 C ATOM 342 CG LEU A 27 15.201 -7.826 1.146 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.574 -8.493 -0.069 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.582 -7.291 0.802 1.00 1.00 C ATOM 0 H LEU A 27 13.485 -4.580 2.618 1.00 0.21 H new ATOM 0 HA LEU A 27 15.239 -5.204 0.470 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.663 -6.438 2.690 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.298 -7.088 1.804 1.00 0.33 H new ATOM 0 HG LEU A 27 15.298 -8.580 1.927 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.231 -9.285 -0.429 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.609 -8.919 0.207 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.432 -7.754 -0.857 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.201 -8.102 0.417 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.492 -6.512 0.045 1.00 1.00 H new ATOM 0 HD23 LEU A 27 17.045 -6.876 1.697 1.00 1.00 H new ATOM 356 N LEU A 28 12.006 -5.376 -0.076 1.00 0.27 N ATOM 357 CA LEU A 28 10.990 -5.571 -1.100 1.00 0.31 C ATOM 358 C LEU A 28 11.100 -4.501 -2.172 1.00 0.32 C ATOM 359 O LEU A 28 11.023 -4.799 -3.359 1.00 0.37 O ATOM 360 CB LEU A 28 9.578 -5.548 -0.502 1.00 0.31 C ATOM 361 CG LEU A 28 9.303 -6.546 0.627 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.806 -6.706 0.840 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.959 -7.886 0.347 1.00 0.37 C ATOM 0 H LEU A 28 11.642 -5.077 0.829 1.00 0.27 H new ATOM 0 HA LEU A 28 11.163 -6.551 -1.545 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.382 -4.544 -0.126 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.864 -5.733 -1.304 1.00 0.31 H new ATOM 0 HG LEU A 28 9.741 -6.151 1.544 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.627 -7.418 1.645 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.371 -5.742 1.105 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.345 -7.072 -0.077 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.746 -8.573 1.166 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.566 -8.296 -0.583 1.00 0.37 H new ATOM 0 HD23 LEU A 28 11.037 -7.752 0.257 1.00 0.37 H new ATOM 375 N LEU A 29 11.293 -3.255 -1.759 1.00 0.30 N ATOM 376 CA LEU A 29 11.387 -2.164 -2.714 1.00 0.32 C ATOM 377 C LEU A 29 12.705 -2.222 -3.471 1.00 0.36 C ATOM 378 O LEU A 29 12.799 -1.754 -4.604 1.00 0.41 O ATOM 379 CB LEU A 29 11.181 -0.804 -2.027 1.00 0.30 C ATOM 380 CG LEU A 29 12.210 -0.370 -0.975 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.481 0.164 -1.621 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.600 0.692 -0.084 1.00 0.31 C ATOM 0 H LEU A 29 11.386 -2.979 -0.782 1.00 0.30 H new ATOM 0 HA LEU A 29 10.585 -2.279 -3.443 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.152 -0.038 -2.802 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.200 -0.814 -1.552 1.00 0.30 H new ATOM 0 HG LEU A 29 12.481 -1.244 -0.382 1.00 0.29 H new ATOM 0 HD11 LEU A 29 14.186 0.462 -0.845 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.929 -0.614 -2.240 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.239 1.027 -2.241 1.00 0.31 H new ATOM 0 HD21 LEU A 29 12.329 1.002 0.664 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.312 1.552 -0.688 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.719 0.287 0.414 1.00 0.31 H new ATOM 394 N ASP A 30 13.713 -2.809 -2.842 1.00 0.34 N ATOM 395 CA ASP A 30 14.991 -3.062 -3.498 1.00 0.39 C ATOM 396 C ASP A 30 14.787 -4.083 -4.606 1.00 0.43 C ATOM 397 O ASP A 30 15.418 -4.027 -5.662 1.00 0.49 O ATOM 398 CB ASP A 30 16.002 -3.591 -2.478 1.00 0.41 C ATOM 399 CG ASP A 30 17.400 -3.725 -3.044 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.745 -4.813 -3.549 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.167 -2.739 -2.977 1.00 0.63 O ATOM 0 H ASP A 30 13.671 -3.121 -1.872 1.00 0.34 H new ATOM 0 HA ASP A 30 15.375 -2.135 -3.924 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.027 -2.921 -1.619 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.668 -4.563 -2.115 1.00 0.41 H new ATOM 406 N GLU A 31 13.862 -4.991 -4.351 1.00 0.43 N ATOM 407 CA GLU A 31 13.505 -6.044 -5.277 1.00 0.49 C ATOM 408 C GLU A 31 12.558 -5.529 -6.358 1.00 0.51 C ATOM 409 O GLU A 31 12.305 -6.205 -7.358 1.00 0.62 O ATOM 410 CB GLU A 31 12.842 -7.166 -4.491 1.00 0.52 C ATOM 411 CG GLU A 31 13.819 -8.138 -3.854 1.00 0.97 C ATOM 412 CD GLU A 31 14.666 -8.862 -4.876 1.00 1.46 C ATOM 413 OE1 GLU A 31 14.139 -9.759 -5.565 1.00 1.76 O ATOM 414 OE2 GLU A 31 15.864 -8.548 -4.992 1.00 2.07 O ATOM 0 H GLU A 31 13.331 -5.015 -3.480 1.00 0.43 H new ATOM 0 HA GLU A 31 14.404 -6.408 -5.775 1.00 0.49 H new ATOM 0 HB2 GLU A 31 12.219 -6.729 -3.710 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.178 -7.718 -5.156 1.00 0.52 H new ATOM 0 HG2 GLU A 31 14.469 -7.597 -3.167 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.266 -8.868 -3.262 1.00 0.97 H new ATOM 421 N LEU A 32 12.040 -4.329 -6.149 1.00 0.52 N ATOM 422 CA LEU A 32 11.034 -3.761 -7.033 1.00 0.58 C ATOM 423 C LEU A 32 11.539 -2.512 -7.755 1.00 0.61 C ATOM 424 O LEU A 32 10.932 -2.051 -8.719 1.00 0.71 O ATOM 425 CB LEU A 32 9.783 -3.434 -6.219 1.00 0.56 C ATOM 426 CG LEU A 32 8.992 -4.652 -5.738 1.00 0.57 C ATOM 427 CD1 LEU A 32 7.914 -4.228 -4.762 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.381 -5.394 -6.915 1.00 0.64 C ATOM 0 H LEU A 32 12.302 -3.726 -5.369 1.00 0.52 H new ATOM 0 HA LEU A 32 10.800 -4.498 -7.801 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.076 -2.843 -5.351 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.127 -2.808 -6.824 1.00 0.56 H new ATOM 0 HG LEU A 32 9.678 -5.328 -5.227 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.360 -5.105 -4.429 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.373 -3.740 -3.902 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.232 -3.533 -5.252 1.00 0.57 H new ATOM 0 HD21 LEU A 32 7.823 -6.257 -6.551 1.00 0.64 H new ATOM 0 HD22 LEU A 32 7.708 -4.728 -7.455 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.173 -5.730 -7.584 1.00 0.64 H new ATOM 440 N GLY A 33 12.648 -1.965 -7.274 1.00 0.57 N ATOM 441 CA GLY A 33 13.256 -0.815 -7.915 1.00 0.62 C ATOM 442 C GLY A 33 12.554 0.485 -7.575 1.00 0.63 C ATOM 443 O GLY A 33 12.393 1.355 -8.435 1.00 0.75 O ATOM 0 H GLY A 33 13.140 -2.300 -6.446 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.302 -0.748 -7.615 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.243 -0.958 -8.996 1.00 0.62 H new ATOM 447 N ILE A 34 12.145 0.627 -6.323 1.00 0.54 N ATOM 448 CA ILE A 34 11.399 1.803 -5.894 1.00 0.58 C ATOM 449 C ILE A 34 12.327 2.829 -5.261 1.00 0.65 C ATOM 450 O ILE A 34 13.227 2.475 -4.500 1.00 0.68 O ATOM 451 CB ILE A 34 10.306 1.439 -4.866 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.554 0.181 -5.310 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.338 2.600 -4.688 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.582 -0.340 -4.276 1.00 0.56 C ATOM 0 H ILE A 34 12.317 -0.057 -5.586 1.00 0.54 H new ATOM 0 HA ILE A 34 10.930 2.220 -6.785 1.00 0.58 H new ATOM 0 HB ILE A 34 10.785 1.237 -3.908 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.011 0.398 -6.230 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.277 -0.601 -5.543 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.573 2.328 -3.960 1.00 0.58 H new ATOM 0 HG22 ILE A 34 9.881 3.476 -4.333 1.00 0.58 H new ATOM 0 HG23 ILE A 34 8.865 2.829 -5.643 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.086 -1.232 -4.659 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.122 -0.589 -3.362 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.836 0.425 -4.060 1.00 0.56 H new ATOM 466 N VAL A 35 12.110 4.094 -5.583 1.00 0.77 N ATOM 467 CA VAL A 35 12.847 5.174 -4.953 1.00 0.89 C ATOM 468 C VAL A 35 11.888 6.113 -4.221 1.00 0.74 C ATOM 469 O VAL A 35 11.177 6.913 -4.834 1.00 0.90 O ATOM 470 CB VAL A 35 13.715 5.953 -5.974 1.00 1.24 C ATOM 471 CG1 VAL A 35 12.890 6.436 -7.161 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.422 7.119 -5.298 1.00 1.87 C ATOM 0 H VAL A 35 11.428 4.397 -6.278 1.00 0.77 H new ATOM 0 HA VAL A 35 13.528 4.733 -4.226 1.00 0.89 H new ATOM 0 HB VAL A 35 14.469 5.266 -6.358 1.00 1.24 H new ATOM 0 HG11 VAL A 35 13.533 6.978 -7.855 1.00 1.84 H new ATOM 0 HG12 VAL A 35 12.448 5.579 -7.670 1.00 1.84 H new ATOM 0 HG13 VAL A 35 12.098 7.097 -6.809 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.026 7.653 -6.032 1.00 1.87 H new ATOM 0 HG22 VAL A 35 13.681 7.798 -4.875 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.066 6.743 -4.503 1.00 1.87 H new ATOM 482 N LEU A 36 11.838 5.980 -2.907 1.00 0.70 N ATOM 483 CA LEU A 36 10.948 6.786 -2.088 1.00 0.66 C ATOM 484 C LEU A 36 11.608 8.101 -1.707 1.00 0.68 C ATOM 485 O LEU A 36 12.801 8.145 -1.408 1.00 0.84 O ATOM 486 CB LEU A 36 10.585 6.016 -0.826 1.00 0.86 C ATOM 487 CG LEU A 36 9.926 4.664 -1.064 1.00 1.90 C ATOM 488 CD1 LEU A 36 10.046 3.807 0.177 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.470 4.845 -1.450 1.00 2.76 C ATOM 0 H LEU A 36 12.407 5.317 -2.381 1.00 0.70 H new ATOM 0 HA LEU A 36 10.048 7.003 -2.663 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.490 5.864 -0.238 1.00 0.86 H new ATOM 0 HB3 LEU A 36 9.914 6.629 -0.225 1.00 0.86 H new ATOM 0 HG LEU A 36 10.436 4.162 -1.886 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.572 2.841 -0.000 1.00 2.62 H new ATOM 0 HD12 LEU A 36 11.099 3.656 0.415 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.553 4.305 1.012 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.014 3.869 -1.617 1.00 2.76 H new ATOM 0 HD22 LEU A 36 7.942 5.360 -0.647 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.407 5.436 -2.364 1.00 2.76 H new ATOM 501 N GLU A 37 10.825 9.170 -1.728 1.00 0.72 N ATOM 502 CA GLU A 37 11.295 10.474 -1.282 1.00 0.84 C ATOM 503 C GLU A 37 11.360 10.505 0.240 1.00 0.76 C ATOM 504 O GLU A 37 12.161 11.236 0.826 1.00 0.88 O ATOM 505 CB GLU A 37 10.371 11.576 -1.797 1.00 1.02 C ATOM 506 CG GLU A 37 10.351 11.698 -3.310 1.00 1.42 C ATOM 507 CD GLU A 37 9.329 12.703 -3.793 1.00 2.06 C ATOM 508 OE1 GLU A 37 8.155 12.320 -3.985 1.00 2.65 O ATOM 509 OE2 GLU A 37 9.691 13.881 -3.983 1.00 2.58 O ATOM 0 H GLU A 37 9.857 9.160 -2.051 1.00 0.72 H new ATOM 0 HA GLU A 37 12.294 10.648 -1.683 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.358 11.383 -1.443 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.682 12.529 -1.369 1.00 1.02 H new ATOM 0 HG2 GLU A 37 11.340 11.992 -3.661 1.00 1.42 H new ATOM 0 HG3 GLU A 37 10.134 10.724 -3.748 1.00 1.42 H new ATOM 516 N ASP A 38 10.511 9.699 0.866 1.00 0.61 N ATOM 517 CA ASP A 38 10.504 9.544 2.305 1.00 0.54 C ATOM 518 C ASP A 38 10.300 8.074 2.635 1.00 0.41 C ATOM 519 O ASP A 38 9.193 7.552 2.515 1.00 0.39 O ATOM 520 CB ASP A 38 9.384 10.378 2.931 1.00 0.60 C ATOM 521 CG ASP A 38 9.466 10.422 4.443 1.00 1.20 C ATOM 522 OD1 ASP A 38 8.711 11.206 5.056 1.00 1.20 O ATOM 523 OD2 ASP A 38 10.286 9.681 5.026 1.00 2.29 O ATOM 0 H ASP A 38 9.810 9.136 0.385 1.00 0.61 H new ATOM 0 HA ASP A 38 11.454 9.891 2.711 1.00 0.54 H new ATOM 0 HB2 ASP A 38 9.430 11.394 2.539 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.420 9.965 2.635 1.00 0.60 H new ATOM 528 N PRO A 39 11.367 7.377 3.044 1.00 0.41 N ATOM 529 CA PRO A 39 11.311 5.941 3.316 1.00 0.40 C ATOM 530 C PRO A 39 10.547 5.608 4.595 1.00 0.32 C ATOM 531 O PRO A 39 10.456 4.448 4.987 1.00 0.35 O ATOM 532 CB PRO A 39 12.784 5.552 3.451 1.00 0.57 C ATOM 533 CG PRO A 39 13.463 6.796 3.907 1.00 0.64 C ATOM 534 CD PRO A 39 12.715 7.934 3.271 1.00 0.57 C ATOM 0 HA PRO A 39 10.780 5.401 2.532 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.916 4.743 4.169 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.190 5.204 2.501 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.443 6.875 4.994 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.511 6.801 3.606 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.684 8.807 3.922 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.181 8.249 2.338 1.00 0.57 H new ATOM 542 N THR A 40 9.975 6.619 5.235 1.00 0.30 N ATOM 543 CA THR A 40 9.265 6.393 6.490 1.00 0.31 C ATOM 544 C THR A 40 7.781 6.158 6.241 1.00 0.28 C ATOM 545 O THR A 40 6.998 5.988 7.177 1.00 0.48 O ATOM 546 CB THR A 40 9.445 7.555 7.490 1.00 0.42 C ATOM 547 OG1 THR A 40 8.888 8.767 6.965 1.00 0.51 O ATOM 548 CG2 THR A 40 10.915 7.767 7.807 1.00 0.49 C ATOM 0 H THR A 40 9.986 7.587 4.915 1.00 0.30 H new ATOM 0 HA THR A 40 9.705 5.500 6.935 1.00 0.31 H new ATOM 0 HB THR A 40 8.918 7.291 8.407 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.592 9.286 6.523 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.020 8.590 8.513 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.327 6.858 8.245 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.454 8.005 6.890 1.00 0.49 H new ATOM 556 N VAL A 41 7.398 6.143 4.973 1.00 0.20 N ATOM 557 CA VAL A 41 6.015 5.886 4.604 1.00 0.17 C ATOM 558 C VAL A 41 5.747 4.384 4.555 1.00 0.14 C ATOM 559 O VAL A 41 6.675 3.574 4.454 1.00 0.15 O ATOM 560 CB VAL A 41 5.652 6.523 3.242 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.910 8.022 3.266 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.415 5.861 2.102 1.00 0.23 C ATOM 0 H VAL A 41 8.024 6.305 4.184 1.00 0.20 H new ATOM 0 HA VAL A 41 5.388 6.345 5.368 1.00 0.17 H new ATOM 0 HB VAL A 41 4.588 6.360 3.068 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.649 8.452 2.299 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.302 8.483 4.044 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.964 8.206 3.472 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.138 6.331 1.158 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.486 5.978 2.265 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.167 4.800 2.066 1.00 0.23 H new ATOM 572 N LEU A 42 4.479 4.022 4.645 1.00 0.14 N ATOM 573 CA LEU A 42 4.073 2.627 4.603 1.00 0.14 C ATOM 574 C LEU A 42 3.833 2.187 3.171 1.00 0.12 C ATOM 575 O LEU A 42 3.020 2.780 2.458 1.00 0.15 O ATOM 576 CB LEU A 42 2.801 2.412 5.434 1.00 0.16 C ATOM 577 CG LEU A 42 2.967 2.570 6.948 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.616 2.487 7.645 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.907 1.507 7.493 1.00 0.22 C ATOM 0 H LEU A 42 3.707 4.680 4.748 1.00 0.14 H new ATOM 0 HA LEU A 42 4.877 2.025 5.027 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.043 3.117 5.094 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.420 1.411 5.230 1.00 0.16 H new ATOM 0 HG LEU A 42 3.399 3.551 7.145 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.754 2.601 8.720 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.967 3.281 7.276 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.159 1.519 7.439 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.014 1.634 8.570 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.499 0.518 7.283 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.883 1.606 7.017 1.00 0.22 H new ATOM 591 N ILE A 43 4.553 1.160 2.752 1.00 0.11 N ATOM 592 CA ILE A 43 4.359 0.590 1.435 1.00 0.10 C ATOM 593 C ILE A 43 3.641 -0.745 1.545 1.00 0.11 C ATOM 594 O ILE A 43 3.966 -1.574 2.396 1.00 0.15 O ATOM 595 CB ILE A 43 5.678 0.415 0.650 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.771 -0.209 1.519 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.137 1.755 0.091 1.00 0.13 C ATOM 598 CD1 ILE A 43 8.036 -0.534 0.752 1.00 0.14 C ATOM 0 H ILE A 43 5.277 0.705 3.308 1.00 0.11 H new ATOM 0 HA ILE A 43 3.749 1.298 0.874 1.00 0.10 H new ATOM 0 HB ILE A 43 5.489 -0.268 -0.178 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.013 0.475 2.332 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.386 -1.122 1.974 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.067 1.620 -0.460 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.373 2.151 -0.578 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.299 2.455 0.911 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.769 -0.973 1.429 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.807 -1.242 -0.044 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.444 0.379 0.319 1.00 0.14 H new ATOM 610 N GLY A 44 2.649 -0.932 0.699 1.00 0.13 N ATOM 611 CA GLY A 44 1.846 -2.129 0.762 1.00 0.16 C ATOM 612 C GLY A 44 2.057 -3.041 -0.422 1.00 0.17 C ATOM 613 O GLY A 44 1.621 -2.737 -1.530 1.00 0.31 O ATOM 0 H GLY A 44 2.383 -0.274 -0.034 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.082 -2.671 1.678 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.793 -1.852 0.818 1.00 0.16 H new ATOM 617 N ASP A 45 2.726 -4.157 -0.198 1.00 0.18 N ATOM 618 CA ASP A 45 2.914 -5.146 -1.251 1.00 0.20 C ATOM 619 C ASP A 45 1.670 -6.007 -1.363 1.00 0.20 C ATOM 620 O ASP A 45 1.069 -6.371 -0.352 1.00 0.29 O ATOM 621 CB ASP A 45 4.136 -6.029 -0.977 1.00 0.32 C ATOM 622 CG ASP A 45 4.327 -7.109 -2.027 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.939 -6.827 -3.077 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.877 -8.251 -1.798 1.00 0.57 O ATOM 0 H ASP A 45 3.147 -4.403 0.698 1.00 0.18 H new ATOM 0 HA ASP A 45 3.086 -4.619 -2.189 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.029 -5.405 -0.938 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.030 -6.495 0.002 1.00 0.32 H new ATOM 629 N GLY A 46 1.263 -6.306 -2.583 1.00 0.18 N ATOM 630 CA GLY A 46 0.092 -7.126 -2.778 1.00 0.21 C ATOM 631 C GLY A 46 -1.184 -6.335 -2.595 1.00 0.18 C ATOM 632 O GLY A 46 -2.172 -6.845 -2.069 1.00 0.18 O ATOM 0 H GLY A 46 1.721 -5.996 -3.440 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.112 -7.557 -3.779 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.109 -7.957 -2.073 1.00 0.21 H new ATOM 636 N CYS A 47 -1.161 -5.088 -3.030 1.00 0.17 N ATOM 637 CA CYS A 47 -2.254 -4.172 -2.773 1.00 0.15 C ATOM 638 C CYS A 47 -3.096 -3.947 -4.014 1.00 0.19 C ATOM 639 O CYS A 47 -2.633 -3.385 -5.011 1.00 0.25 O ATOM 640 CB CYS A 47 -1.714 -2.839 -2.276 1.00 0.15 C ATOM 641 SG CYS A 47 -2.662 -2.127 -0.901 1.00 0.12 S ATOM 0 H CYS A 47 -0.392 -4.686 -3.566 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.887 -4.621 -2.008 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.679 -2.972 -1.960 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.706 -2.130 -3.104 1.00 0.15 H new ATOM 646 N ASP A 48 -4.323 -4.422 -3.957 1.00 0.19 N ATOM 647 CA ASP A 48 -5.294 -4.168 -5.010 1.00 0.24 C ATOM 648 C ASP A 48 -6.268 -3.091 -4.555 1.00 0.21 C ATOM 649 O ASP A 48 -6.753 -3.133 -3.425 1.00 0.19 O ATOM 650 CB ASP A 48 -6.059 -5.439 -5.379 1.00 0.30 C ATOM 651 CG ASP A 48 -5.145 -6.541 -5.871 1.00 1.50 C ATOM 652 OD1 ASP A 48 -4.810 -6.551 -7.073 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.752 -7.404 -5.057 1.00 2.02 O ATOM 0 H ASP A 48 -4.677 -4.991 -3.188 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.757 -3.830 -5.896 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.613 -5.792 -4.509 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.792 -5.207 -6.151 1.00 0.30 H new ATOM 658 N PRO A 49 -6.556 -2.109 -5.419 1.00 0.26 N ATOM 659 CA PRO A 49 -7.478 -1.017 -5.099 1.00 0.28 C ATOM 660 C PRO A 49 -8.867 -1.538 -4.756 1.00 0.31 C ATOM 661 O PRO A 49 -9.454 -2.303 -5.523 1.00 0.37 O ATOM 662 CB PRO A 49 -7.530 -0.182 -6.382 1.00 0.35 C ATOM 663 CG PRO A 49 -6.342 -0.590 -7.181 1.00 0.44 C ATOM 664 CD PRO A 49 -6.019 -1.999 -6.779 1.00 0.34 C ATOM 0 HA PRO A 49 -7.147 -0.449 -4.230 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.453 -0.367 -6.932 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.502 0.884 -6.156 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.554 -0.530 -8.249 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.498 0.072 -6.986 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.481 -2.722 -7.451 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.945 -2.185 -6.801 1.00 0.34 H new ATOM 672 N ILE A 50 -9.392 -1.130 -3.609 1.00 0.30 N ATOM 673 CA ILE A 50 -10.709 -1.575 -3.194 1.00 0.36 C ATOM 674 C ILE A 50 -11.762 -0.711 -3.861 1.00 0.43 C ATOM 675 O ILE A 50 -12.172 0.324 -3.335 1.00 0.46 O ATOM 676 CB ILE A 50 -10.901 -1.527 -1.665 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.709 -2.164 -0.956 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.180 -2.255 -1.280 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.834 -2.159 0.552 1.00 0.31 C ATOM 0 H ILE A 50 -8.929 -0.497 -2.957 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.811 -2.616 -3.499 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.974 -0.484 -1.357 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.598 -3.192 -1.301 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.801 -1.633 -1.240 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.309 -2.217 -0.198 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.031 -1.776 -1.764 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.118 -3.295 -1.602 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.953 -2.627 0.992 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.915 -1.132 0.907 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.724 -2.715 0.845 1.00 0.31 H new ATOM 691 N THR A 51 -12.171 -1.138 -5.036 1.00 0.54 N ATOM 692 CA THR A 51 -13.132 -0.395 -5.822 1.00 0.64 C ATOM 693 C THR A 51 -14.270 -1.308 -6.263 1.00 0.79 C ATOM 694 O THR A 51 -15.125 -0.931 -7.069 1.00 0.88 O ATOM 695 CB THR A 51 -12.445 0.268 -7.042 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.388 1.021 -7.813 1.00 0.78 O ATOM 697 CG2 THR A 51 -11.777 -0.772 -7.928 1.00 0.70 C ATOM 0 H THR A 51 -11.850 -2.003 -5.471 1.00 0.54 H new ATOM 0 HA THR A 51 -13.551 0.399 -5.203 1.00 0.64 H new ATOM 0 HB THR A 51 -11.681 0.944 -6.658 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.265 0.584 -7.775 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.303 -0.277 -8.776 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.022 -1.309 -7.353 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.526 -1.476 -8.291 1.00 0.70 H new ATOM 705 N VAL A 52 -14.278 -2.506 -5.704 1.00 0.88 N ATOM 706 CA VAL A 52 -15.311 -3.480 -5.985 1.00 1.10 C ATOM 707 C VAL A 52 -16.341 -3.479 -4.860 1.00 1.38 C ATOM 708 O VAL A 52 -15.994 -3.267 -3.696 1.00 1.44 O ATOM 709 CB VAL A 52 -14.706 -4.897 -6.152 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.078 -5.388 -4.852 1.00 1.17 C ATOM 711 CG2 VAL A 52 -15.755 -5.875 -6.648 1.00 1.44 C ATOM 0 H VAL A 52 -13.569 -2.827 -5.045 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.798 -3.207 -6.921 1.00 1.10 H new ATOM 0 HB VAL A 52 -13.915 -4.835 -6.900 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -13.663 -6.385 -5.002 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.283 -4.705 -4.551 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.839 -5.426 -4.072 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -15.308 -6.863 -6.758 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -16.574 -5.925 -5.931 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.137 -5.540 -7.612 1.00 1.44 H new ATOM 721 N ALA A 53 -17.602 -3.697 -5.204 1.00 1.71 N ATOM 722 CA ALA A 53 -18.666 -3.734 -4.211 1.00 2.11 C ATOM 723 C ALA A 53 -18.808 -5.136 -3.625 1.00 2.05 C ATOM 724 O ALA A 53 -19.917 -5.648 -3.464 1.00 2.54 O ATOM 725 CB ALA A 53 -19.978 -3.276 -4.828 1.00 2.94 C ATOM 0 H ALA A 53 -17.913 -3.851 -6.163 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.407 -3.053 -3.401 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -20.765 -3.308 -4.075 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -19.870 -2.256 -5.197 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -20.240 -3.935 -5.656 1.00 2.94 H new ATOM 731 N GLY A 54 -17.675 -5.744 -3.299 1.00 2.23 N ATOM 732 CA GLY A 54 -17.675 -7.095 -2.780 1.00 2.81 C ATOM 733 C GLY A 54 -17.935 -7.138 -1.291 1.00 2.91 C ATOM 734 O GLY A 54 -17.005 -7.311 -0.503 1.00 3.50 O ATOM 0 H GLY A 54 -16.751 -5.321 -3.386 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -18.436 -7.680 -3.296 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -16.714 -7.563 -2.992 1.00 2.81 H new ATOM 738 N SER A 55 -19.204 -6.974 -0.919 1.00 2.88 N ATOM 739 CA SER A 55 -19.655 -7.015 0.478 1.00 3.27 C ATOM 740 C SER A 55 -18.847 -6.069 1.376 1.00 2.84 C ATOM 741 O SER A 55 -18.178 -5.154 0.892 1.00 3.08 O ATOM 742 CB SER A 55 -19.607 -8.454 1.021 1.00 4.15 C ATOM 743 OG SER A 55 -18.290 -8.987 0.999 1.00 4.90 O ATOM 0 H SER A 55 -19.959 -6.807 -1.584 1.00 2.88 H new ATOM 0 HA SER A 55 -20.688 -6.668 0.494 1.00 3.27 H new ATOM 0 HB2 SER A 55 -19.987 -8.469 2.042 1.00 4.15 H new ATOM 0 HB3 SER A 55 -20.265 -9.088 0.427 1.00 4.15 H new ATOM 0 HG SER A 55 -17.656 -8.282 0.750 1.00 4.90 H new ATOM 749 N SER A 56 -18.931 -6.273 2.682 1.00 2.68 N ATOM 750 CA SER A 56 -18.125 -5.508 3.619 1.00 2.71 C ATOM 751 C SER A 56 -16.741 -6.142 3.739 1.00 2.12 C ATOM 752 O SER A 56 -15.784 -5.515 4.195 1.00 2.50 O ATOM 753 CB SER A 56 -18.817 -5.451 4.979 1.00 3.33 C ATOM 754 OG SER A 56 -20.147 -4.970 4.848 1.00 4.06 O ATOM 0 H SER A 56 -19.548 -6.960 3.115 1.00 2.68 H new ATOM 0 HA SER A 56 -18.011 -4.488 3.253 1.00 2.71 H new ATOM 0 HB2 SER A 56 -18.827 -6.444 5.429 1.00 3.33 H new ATOM 0 HB3 SER A 56 -18.255 -4.802 5.651 1.00 3.33 H new ATOM 0 HG SER A 56 -20.573 -4.943 5.730 1.00 4.06 H new ATOM 760 N ASP A 57 -16.646 -7.385 3.287 1.00 1.64 N ATOM 761 CA ASP A 57 -15.396 -8.126 3.296 1.00 1.50 C ATOM 762 C ASP A 57 -14.710 -7.962 1.944 1.00 1.07 C ATOM 763 O ASP A 57 -14.528 -8.917 1.189 1.00 1.44 O ATOM 764 CB ASP A 57 -15.669 -9.606 3.592 1.00 2.15 C ATOM 765 CG ASP A 57 -14.407 -10.400 3.868 1.00 2.62 C ATOM 766 OD1 ASP A 57 -13.905 -10.356 5.010 1.00 3.12 O ATOM 767 OD2 ASP A 57 -13.899 -11.061 2.939 1.00 3.13 O ATOM 0 H ASP A 57 -17.435 -7.907 2.904 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.740 -7.739 4.076 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -16.334 -9.682 4.452 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -16.192 -10.049 2.745 1.00 2.15 H new ATOM 772 N ALA A 58 -14.367 -6.725 1.630 1.00 0.67 N ATOM 773 CA ALA A 58 -13.754 -6.396 0.348 1.00 0.66 C ATOM 774 C ALA A 58 -12.228 -6.380 0.436 1.00 0.60 C ATOM 775 O ALA A 58 -11.552 -5.816 -0.426 1.00 0.83 O ATOM 776 CB ALA A 58 -14.273 -5.055 -0.151 1.00 0.99 C ATOM 0 H ALA A 58 -14.502 -5.925 2.248 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.031 -7.174 -0.363 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.809 -4.819 -1.109 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.355 -5.107 -0.275 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -14.027 -4.278 0.573 1.00 0.99 H new ATOM 782 N CYS A 59 -11.689 -7.001 1.474 1.00 0.45 N ATOM 783 CA CYS A 59 -10.247 -7.072 1.655 1.00 0.54 C ATOM 784 C CYS A 59 -9.862 -8.414 2.268 1.00 0.55 C ATOM 785 O CYS A 59 -10.586 -8.953 3.107 1.00 0.74 O ATOM 786 CB CYS A 59 -9.758 -5.921 2.537 1.00 0.73 C ATOM 787 SG CYS A 59 -7.952 -5.881 2.788 1.00 0.74 S ATOM 0 H CYS A 59 -12.229 -7.464 2.205 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.769 -6.982 0.680 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.072 -4.978 2.090 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.246 -5.991 3.509 1.00 0.73 H new ATOM 792 N SER A 60 -8.731 -8.954 1.836 1.00 0.64 N ATOM 793 CA SER A 60 -8.293 -10.270 2.271 1.00 0.86 C ATOM 794 C SER A 60 -7.192 -10.195 3.328 1.00 0.71 C ATOM 795 O SER A 60 -7.041 -11.112 4.135 1.00 1.05 O ATOM 796 CB SER A 60 -7.805 -11.067 1.064 1.00 1.24 C ATOM 797 OG SER A 60 -6.964 -10.274 0.242 1.00 2.14 O ATOM 0 H SER A 60 -8.098 -8.496 1.180 1.00 0.64 H new ATOM 0 HA SER A 60 -9.146 -10.769 2.731 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.263 -11.950 1.401 1.00 1.24 H new ATOM 0 HB3 SER A 60 -8.659 -11.419 0.486 1.00 1.24 H new ATOM 0 HG SER A 60 -6.661 -10.804 -0.524 1.00 2.14 H new ATOM 803 N ALA A 61 -6.420 -9.116 3.327 1.00 0.38 N ATOM 804 CA ALA A 61 -5.302 -9.004 4.255 1.00 0.32 C ATOM 805 C ALA A 61 -5.406 -7.751 5.125 1.00 0.32 C ATOM 806 O ALA A 61 -5.757 -7.837 6.302 1.00 0.54 O ATOM 807 CB ALA A 61 -3.975 -9.041 3.505 1.00 0.38 C ATOM 0 H ALA A 61 -6.544 -8.317 2.705 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.344 -9.863 4.924 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.153 -8.956 4.216 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -3.890 -9.983 2.962 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -3.932 -8.211 2.800 1.00 0.38 H new ATOM 813 N THR A 62 -5.102 -6.591 4.560 1.00 0.22 N ATOM 814 CA THR A 62 -5.119 -5.353 5.327 1.00 0.19 C ATOM 815 C THR A 62 -5.548 -4.168 4.463 1.00 0.18 C ATOM 816 O THR A 62 -5.005 -3.945 3.381 1.00 0.20 O ATOM 817 CB THR A 62 -3.727 -5.080 5.937 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.295 -6.230 6.675 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.752 -3.865 6.856 1.00 0.24 C ATOM 0 H THR A 62 -4.842 -6.481 3.580 1.00 0.22 H new ATOM 0 HA THR A 62 -5.847 -5.471 6.130 1.00 0.19 H new ATOM 0 HB THR A 62 -3.032 -4.875 5.122 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.411 -6.058 7.061 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.757 -3.700 7.269 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.060 -2.986 6.289 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.458 -4.038 7.669 1.00 0.24 H new ATOM 827 N ALA A 63 -6.527 -3.413 4.946 1.00 0.19 N ATOM 828 CA ALA A 63 -7.046 -2.269 4.213 1.00 0.20 C ATOM 829 C ALA A 63 -6.225 -1.027 4.514 1.00 0.17 C ATOM 830 O ALA A 63 -5.848 -0.778 5.663 1.00 0.19 O ATOM 831 CB ALA A 63 -8.507 -2.034 4.560 1.00 0.25 C ATOM 0 H ALA A 63 -6.978 -3.575 5.846 1.00 0.19 H new ATOM 0 HA ALA A 63 -6.973 -2.482 3.147 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.880 -1.174 4.003 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.090 -2.917 4.298 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.601 -1.842 5.629 1.00 0.25 H new ATOM 837 N VAL A 64 -5.942 -0.253 3.479 1.00 0.14 N ATOM 838 CA VAL A 64 -5.116 0.937 3.608 1.00 0.13 C ATOM 839 C VAL A 64 -5.567 2.031 2.647 1.00 0.14 C ATOM 840 O VAL A 64 -6.401 1.803 1.770 1.00 0.21 O ATOM 841 CB VAL A 64 -3.637 0.621 3.329 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.972 -0.029 4.534 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.523 -0.274 2.108 1.00 0.19 C ATOM 0 H VAL A 64 -6.276 -0.430 2.531 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.228 1.286 4.635 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.117 1.559 3.134 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.928 -0.239 4.304 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.026 0.646 5.388 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.485 -0.960 4.775 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.473 -0.494 1.915 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.062 -1.204 2.287 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.952 0.233 1.244 1.00 0.19 H new ATOM 853 N CYS A 65 -5.004 3.212 2.830 1.00 0.17 N ATOM 854 CA CYS A 65 -5.278 4.344 1.962 1.00 0.17 C ATOM 855 C CYS A 65 -3.966 5.007 1.557 1.00 0.13 C ATOM 856 O CYS A 65 -3.292 5.615 2.391 1.00 0.14 O ATOM 857 CB CYS A 65 -6.180 5.358 2.670 1.00 0.23 C ATOM 858 SG CYS A 65 -6.529 6.849 1.679 1.00 0.39 S ATOM 0 H CYS A 65 -4.346 3.413 3.582 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.794 3.987 1.071 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.123 4.875 2.927 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.710 5.657 3.607 1.00 0.23 H new ATOM 863 N CYS A 66 -3.593 4.867 0.295 1.00 0.12 N ATOM 864 CA CYS A 66 -2.339 5.421 -0.196 1.00 0.13 C ATOM 865 C CYS A 66 -2.532 6.779 -0.846 1.00 0.16 C ATOM 866 O CYS A 66 -3.483 7.003 -1.598 1.00 0.23 O ATOM 867 CB CYS A 66 -1.679 4.463 -1.184 1.00 0.19 C ATOM 868 SG CYS A 66 -0.486 3.322 -0.427 1.00 0.65 S ATOM 0 H CYS A 66 -4.141 4.374 -0.410 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.688 5.554 0.668 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.454 3.882 -1.683 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.171 5.045 -1.953 1.00 0.19 H new ATOM 873 N SER A 67 -1.611 7.679 -0.539 1.00 0.24 N ATOM 874 CA SER A 67 -1.616 9.019 -1.098 1.00 0.29 C ATOM 875 C SER A 67 -0.965 9.027 -2.479 1.00 0.32 C ATOM 876 O SER A 67 -1.162 9.953 -3.271 1.00 0.41 O ATOM 877 CB SER A 67 -0.886 9.973 -0.147 1.00 0.35 C ATOM 878 OG SER A 67 -0.766 11.275 -0.692 1.00 1.15 O ATOM 0 H SER A 67 -0.840 7.500 0.104 1.00 0.24 H new ATOM 0 HA SER A 67 -2.647 9.354 -1.213 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.424 10.024 0.799 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.106 9.578 0.072 1.00 0.35 H new ATOM 0 HG SER A 67 -0.297 11.854 -0.056 1.00 1.15 H new ATOM 884 N ASP A 68 -0.190 7.994 -2.765 1.00 0.30 N ATOM 885 CA ASP A 68 0.492 7.885 -4.048 1.00 0.37 C ATOM 886 C ASP A 68 -0.093 6.761 -4.886 1.00 0.44 C ATOM 887 O ASP A 68 -0.540 5.740 -4.359 1.00 0.57 O ATOM 888 CB ASP A 68 1.992 7.663 -3.855 1.00 0.43 C ATOM 889 CG ASP A 68 2.687 8.883 -3.294 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.025 9.793 -4.074 1.00 1.60 O ATOM 891 OD2 ASP A 68 2.904 8.940 -2.064 1.00 1.52 O ATOM 0 H ASP A 68 -0.016 7.217 -2.127 1.00 0.30 H new ATOM 0 HA ASP A 68 0.343 8.826 -4.577 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.148 6.818 -3.184 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.443 7.398 -4.811 1.00 0.43 H new ATOM 896 N ASN A 69 -0.082 6.957 -6.194 1.00 0.53 N ATOM 897 CA ASN A 69 -0.626 5.982 -7.129 1.00 0.63 C ATOM 898 C ASN A 69 0.474 5.424 -8.017 1.00 0.59 C ATOM 899 O ASN A 69 0.212 4.648 -8.938 1.00 0.64 O ATOM 900 CB ASN A 69 -1.713 6.623 -7.992 1.00 0.84 C ATOM 901 CG ASN A 69 -2.868 7.153 -7.170 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.846 8.297 -6.715 1.00 2.35 O ATOM 903 ND2 ASN A 69 -3.886 6.330 -6.973 1.00 2.49 N ATOM 0 H ASN A 69 0.302 7.791 -6.638 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.063 5.165 -6.555 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.279 7.438 -8.571 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -2.086 5.888 -8.706 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -4.691 6.636 -6.427 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -3.865 5.390 -7.367 1.00 2.49 H new ATOM 910 N ASN A 70 1.707 5.830 -7.739 1.00 0.59 N ATOM 911 CA ASN A 70 2.866 5.353 -8.487 1.00 0.64 C ATOM 912 C ASN A 70 3.221 3.932 -8.069 1.00 0.55 C ATOM 913 O ASN A 70 4.199 3.699 -7.359 1.00 0.86 O ATOM 914 CB ASN A 70 4.066 6.283 -8.277 1.00 0.83 C ATOM 915 CG ASN A 70 3.885 7.626 -8.960 1.00 1.50 C ATOM 916 OD1 ASN A 70 3.234 7.726 -10.000 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.455 8.669 -8.379 1.00 2.27 N ATOM 0 H ASN A 70 1.932 6.492 -6.997 1.00 0.59 H new ATOM 0 HA ASN A 70 2.611 5.352 -9.547 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.218 6.439 -7.209 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.966 5.802 -8.660 1.00 0.83 H new ATOM 0 HD21 ASN A 70 4.363 9.597 -8.793 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.987 8.545 -7.517 1.00 2.27 H new ATOM 924 N VAL A 71 2.411 2.985 -8.506 1.00 0.41 N ATOM 925 CA VAL A 71 2.595 1.600 -8.147 1.00 0.38 C ATOM 926 C VAL A 71 3.504 0.895 -9.145 1.00 0.33 C ATOM 927 O VAL A 71 3.512 1.218 -10.329 1.00 0.38 O ATOM 928 CB VAL A 71 1.238 0.873 -8.071 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.354 1.520 -7.020 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.539 0.866 -9.423 1.00 1.03 C ATOM 0 H VAL A 71 1.612 3.158 -9.116 1.00 0.41 H new ATOM 0 HA VAL A 71 3.067 1.571 -7.165 1.00 0.38 H new ATOM 0 HB VAL A 71 1.425 -0.163 -7.787 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.601 0.997 -6.976 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.844 1.463 -6.048 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.184 2.565 -7.280 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.415 0.346 -9.337 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.365 1.892 -9.748 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.166 0.355 -10.154 1.00 1.03 H new ATOM 940 N SER A 72 4.278 -0.058 -8.654 1.00 0.32 N ATOM 941 CA SER A 72 5.165 -0.836 -9.503 1.00 0.37 C ATOM 942 C SER A 72 4.449 -2.075 -10.041 1.00 0.42 C ATOM 943 O SER A 72 5.070 -2.969 -10.617 1.00 0.55 O ATOM 944 CB SER A 72 6.420 -1.221 -8.732 1.00 0.45 C ATOM 945 OG SER A 72 7.086 -0.068 -8.244 1.00 1.41 O ATOM 0 H SER A 72 4.310 -0.313 -7.667 1.00 0.32 H new ATOM 0 HA SER A 72 5.459 -0.226 -10.357 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.155 -1.873 -7.900 1.00 0.45 H new ATOM 0 HB3 SER A 72 7.090 -1.787 -9.379 1.00 0.45 H new ATOM 0 HG SER A 72 8.018 -0.291 -8.040 1.00 1.41 H new ATOM 951 N GLY A 73 3.135 -2.113 -9.836 1.00 0.39 N ATOM 952 CA GLY A 73 2.316 -3.172 -10.390 1.00 0.48 C ATOM 953 C GLY A 73 1.453 -3.868 -9.363 1.00 0.41 C ATOM 954 O GLY A 73 0.329 -4.261 -9.670 1.00 0.48 O ATOM 0 H GLY A 73 2.621 -1.421 -9.290 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.676 -2.756 -11.168 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.963 -3.908 -10.868 1.00 0.48 H new ATOM 958 N VAL A 74 1.940 -4.002 -8.135 1.00 0.31 N ATOM 959 CA VAL A 74 1.155 -4.662 -7.098 1.00 0.28 C ATOM 960 C VAL A 74 1.292 -3.973 -5.745 1.00 0.22 C ATOM 961 O VAL A 74 0.667 -4.378 -4.773 1.00 0.34 O ATOM 962 CB VAL A 74 1.541 -6.149 -6.934 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.483 -6.878 -8.265 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.911 -6.295 -6.297 1.00 0.38 C ATOM 0 H VAL A 74 2.857 -3.670 -7.836 1.00 0.31 H new ATOM 0 HA VAL A 74 0.119 -4.594 -7.431 1.00 0.28 H new ATOM 0 HB VAL A 74 0.812 -6.607 -6.266 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.759 -7.922 -8.120 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.471 -6.823 -8.666 1.00 0.49 H new ATOM 0 HG13 VAL A 74 2.177 -6.413 -8.965 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.154 -7.353 -6.195 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.658 -5.810 -6.925 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.906 -5.827 -5.312 1.00 0.38 H new ATOM 974 N ILE A 75 2.116 -2.947 -5.676 1.00 0.18 N ATOM 975 CA ILE A 75 2.369 -2.275 -4.404 1.00 0.17 C ATOM 976 C ILE A 75 1.461 -1.077 -4.187 1.00 0.16 C ATOM 977 O ILE A 75 0.567 -0.790 -4.981 1.00 0.20 O ATOM 978 CB ILE A 75 3.819 -1.778 -4.285 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.171 -0.893 -5.472 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.772 -2.944 -4.185 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.355 0.009 -5.229 1.00 0.30 C ATOM 0 H ILE A 75 2.620 -2.559 -6.473 1.00 0.18 H new ATOM 0 HA ILE A 75 2.169 -3.033 -3.647 1.00 0.17 H new ATOM 0 HB ILE A 75 3.912 -1.186 -3.374 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.379 -1.525 -6.335 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.306 -0.281 -5.726 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.793 -2.573 -4.102 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.529 -3.538 -3.304 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.683 -3.564 -5.077 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.544 0.609 -6.119 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.144 0.667 -4.386 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.234 -0.596 -5.005 1.00 0.30 H new ATOM 993 N ALA A 76 1.712 -0.400 -3.079 1.00 0.15 N ATOM 994 CA ALA A 76 1.056 0.844 -2.734 1.00 0.16 C ATOM 995 C ALA A 76 2.035 1.714 -1.952 1.00 0.14 C ATOM 996 O ALA A 76 2.763 1.206 -1.102 1.00 0.15 O ATOM 997 CB ALA A 76 -0.190 0.559 -1.916 1.00 0.18 C ATOM 0 H ALA A 76 2.391 -0.708 -2.383 1.00 0.15 H new ATOM 0 HA ALA A 76 0.752 1.373 -3.637 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.679 1.498 -1.659 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.874 -0.059 -2.498 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.087 0.033 -1.003 1.00 0.18 H new ATOM 1003 N ILE A 77 2.075 3.007 -2.246 1.00 0.15 N ATOM 1004 CA ILE A 77 3.037 3.901 -1.603 1.00 0.16 C ATOM 1005 C ILE A 77 2.339 4.983 -0.784 1.00 0.16 C ATOM 1006 O ILE A 77 1.470 5.699 -1.287 1.00 0.21 O ATOM 1007 CB ILE A 77 3.966 4.566 -2.644 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.757 3.501 -3.407 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.911 5.555 -1.969 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.663 4.067 -4.479 1.00 0.26 C ATOM 0 H ILE A 77 1.458 3.461 -2.920 1.00 0.15 H new ATOM 0 HA ILE A 77 3.636 3.286 -0.931 1.00 0.16 H new ATOM 0 HB ILE A 77 3.350 5.116 -3.355 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.359 2.931 -2.699 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.058 2.802 -3.866 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.556 6.012 -2.719 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.330 6.330 -1.469 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.523 5.031 -1.235 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.191 3.253 -4.976 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.066 4.612 -5.210 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.386 4.744 -4.024 1.00 0.26 H new ATOM 1022 N GLY A 78 2.722 5.087 0.485 1.00 0.16 N ATOM 1023 CA GLY A 78 2.167 6.104 1.355 1.00 0.17 C ATOM 1024 C GLY A 78 0.783 5.737 1.835 1.00 0.15 C ATOM 1025 O GLY A 78 -0.159 6.519 1.699 1.00 0.17 O ATOM 0 H GLY A 78 3.412 4.480 0.927 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.824 6.246 2.213 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.127 7.055 0.823 1.00 0.17 H new ATOM 1029 N CYS A 79 0.661 4.543 2.394 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.623 4.026 2.828 1.00 0.13 C ATOM 1031 C CYS A 79 -0.843 4.200 4.320 1.00 0.13 C ATOM 1032 O CYS A 79 0.062 3.994 5.125 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.731 2.549 2.470 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.570 2.235 0.890 1.00 0.65 S ATOM 0 H CYS A 79 1.444 3.911 2.558 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.393 4.599 2.312 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.271 2.121 2.430 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.268 2.031 3.265 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.051 4.605 4.674 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.479 4.619 6.060 1.00 0.15 C ATOM 1041 C LEU A 80 -3.441 3.467 6.312 1.00 0.15 C ATOM 1042 O LEU A 80 -4.374 3.256 5.539 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.162 5.936 6.411 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.288 7.182 6.266 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -3.066 8.427 6.658 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -1.033 7.050 7.116 1.00 0.26 C ATOM 0 H LEU A 80 -2.757 4.931 4.014 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.596 4.510 6.689 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -4.040 6.052 5.776 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.518 5.879 7.440 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.991 7.276 5.221 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.428 9.304 6.549 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.938 8.530 6.012 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.391 8.342 7.695 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.421 7.945 7.002 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.313 6.933 8.163 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.465 6.178 6.793 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.214 2.698 7.382 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.052 1.546 7.729 1.00 0.17 C ATOM 1060 C PRO A 81 -5.469 1.956 8.112 1.00 0.21 C ATOM 1061 O PRO A 81 -5.672 2.744 9.038 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.337 0.917 8.931 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.974 1.521 8.948 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.118 2.886 8.340 1.00 0.17 C ATOM 0 HA PRO A 81 -4.166 0.865 6.886 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.870 1.127 9.858 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.284 -0.167 8.832 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.589 1.586 9.966 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.271 0.913 8.379 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.360 3.640 9.089 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.201 3.209 7.848 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.446 1.428 7.393 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.836 1.709 7.662 1.00 0.30 C ATOM 1074 C VAL A 82 -8.591 0.415 7.923 1.00 0.39 C ATOM 1075 O VAL A 82 -8.200 -0.644 7.430 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.502 2.470 6.499 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.061 3.925 6.487 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.191 1.819 5.161 1.00 0.20 C ATOM 0 H VAL A 82 -6.292 0.794 6.609 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.876 2.344 8.547 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.580 2.429 6.654 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.543 4.444 5.658 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.345 4.399 7.427 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.979 3.976 6.367 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.676 2.380 4.362 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.113 1.816 5.000 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.561 0.794 5.160 1.00 0.20 H new ATOM 1088 N THR A 83 -9.659 0.515 8.702 1.00 0.53 N ATOM 1089 CA THR A 83 -10.462 -0.633 9.097 1.00 0.70 C ATOM 1090 C THR A 83 -9.685 -1.575 10.021 1.00 1.46 C ATOM 1091 O THR A 83 -8.506 -1.862 9.797 1.00 2.07 O ATOM 1092 CB THR A 83 -10.956 -1.394 7.861 1.00 1.31 C ATOM 1093 OG1 THR A 83 -11.823 -0.555 7.087 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.683 -2.680 8.234 1.00 1.65 C ATOM 0 H THR A 83 -9.995 1.401 9.080 1.00 0.53 H new ATOM 0 HA THR A 83 -11.322 -0.256 9.650 1.00 0.70 H new ATOM 0 HB THR A 83 -10.081 -1.668 7.272 1.00 1.31 H new ATOM 0 HG1 THR A 83 -12.134 -1.046 6.298 1.00 1.98 H new ATOM 0 HG21 THR A 83 -12.015 -3.186 7.328 1.00 1.65 H new ATOM 0 HG22 THR A 83 -11.007 -3.333 8.787 1.00 1.65 H new ATOM 0 HG23 THR A 83 -12.547 -2.443 8.855 1.00 1.65 H new ATOM 1102 N LEU A 84 -10.369 -2.057 11.053 1.00 1.87 N ATOM 1103 CA LEU A 84 -9.777 -2.942 12.047 1.00 2.80 C ATOM 1104 C LEU A 84 -8.593 -2.274 12.737 1.00 3.45 C ATOM 1105 O LEU A 84 -8.833 -1.437 13.635 1.00 3.87 O ATOM 1106 CB LEU A 84 -9.365 -4.258 11.396 1.00 3.22 C ATOM 1107 CG LEU A 84 -10.529 -5.116 10.912 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -10.027 -6.258 10.051 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -11.326 -5.646 12.091 1.00 3.37 C ATOM 1110 OXT LEU A 84 -7.433 -2.575 12.382 1.00 3.91 O ATOM 0 H LEU A 84 -11.352 -1.844 11.223 1.00 1.87 H new ATOM 0 HA LEU A 84 -10.523 -3.155 12.812 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -8.713 -4.042 10.550 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -8.778 -4.834 12.111 1.00 3.22 H new ATOM 0 HG LEU A 84 -11.186 -4.493 10.305 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -10.872 -6.859 9.715 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -9.500 -5.857 9.185 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -9.347 -6.881 10.633 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -12.153 -6.256 11.727 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -10.679 -6.253 12.724 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -11.719 -4.810 12.669 1.00 3.37 H new TER 1122 LEU A 84