USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 636 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 93 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.039) USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 THR OG1 : rot -45:sc= 0.00266 USER MOD Set 2.2: A 80 SER OG : rot -14:sc= 1.04 USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 THR OG1 : rot 78:sc= -0.232 USER MOD Set 4.1: A 11 THR OG1 : rot 58:sc= 0.65 USER MOD Set 4.2: A 21 SER OG : rot 88:sc= 0.201 USER MOD Single : A 5 THR OG1 : rot -18:sc= 0.726 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -0.65 (180deg=-1.63!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -85:sc= 1.15 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 SER OG : rot 40:sc= 0.537 USER MOD Single : A 61 HIS : no HD1:sc= -2.05 X(o=-2.1,f=-2) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0588) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 70 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.052) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00263 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -107:sc= 0.12 USER MOD Single : A 97 ASN : amide:sc= -0.202 K(o=-0.2,f=0.64) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.0525 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -16.986 15.008 20.622 1.00 64.01 N ATOM 47 CA THR A 5 -17.184 13.638 21.075 1.00 12.12 C ATOM 48 C THR A 5 -17.377 12.691 19.897 1.00 11.42 C ATOM 49 O THR A 5 -17.549 13.128 18.759 1.00 3.52 O ATOM 50 CB THR A 5 -18.399 13.526 22.014 1.00 5.15 C ATOM 51 OG1 THR A 5 -19.248 14.668 21.853 1.00 24.44 O ATOM 52 CG2 THR A 5 -17.956 13.417 23.465 1.00 42.43 C ATOM 0 HA THR A 5 -16.285 13.354 21.622 1.00 12.12 H new ATOM 0 HB THR A 5 -18.950 12.623 21.752 1.00 5.15 H new ATOM 0 HG1 THR A 5 -18.747 15.390 21.420 1.00 24.44 H new ATOM 0 HG21 THR A 5 -18.833 13.339 24.108 1.00 42.43 H new ATOM 0 HG22 THR A 5 -17.334 12.530 23.590 1.00 42.43 H new ATOM 0 HG23 THR A 5 -17.383 14.303 23.738 1.00 42.43 H new ATOM 60 N ALA A 6 -17.348 11.392 20.175 1.00 61.04 N ATOM 61 CA ALA A 6 -17.524 10.383 19.137 1.00 75.13 C ATOM 62 C ALA A 6 -18.193 9.132 19.695 1.00 34.44 C ATOM 63 O ALA A 6 -18.210 8.911 20.906 1.00 75.44 O ATOM 64 CB ALA A 6 -16.182 10.033 18.511 1.00 23.14 C ATOM 0 H ALA A 6 -17.204 11.013 21.111 1.00 61.04 H new ATOM 0 HA ALA A 6 -18.175 10.797 18.367 1.00 75.13 H new ATOM 0 HB1 ALA A 6 -16.327 9.279 17.738 1.00 23.14 H new ATOM 0 HB2 ALA A 6 -15.743 10.927 18.068 1.00 23.14 H new ATOM 0 HB3 ALA A 6 -15.514 9.642 19.278 1.00 23.14 H new ATOM 70 N THR A 7 -18.744 8.314 18.804 1.00 64.52 N ATOM 71 CA THR A 7 -19.416 7.085 19.208 1.00 25.11 C ATOM 72 C THR A 7 -19.078 5.938 18.263 1.00 23.31 C ATOM 73 O THR A 7 -19.137 6.088 17.043 1.00 32.25 O ATOM 74 CB THR A 7 -20.945 7.268 19.249 1.00 4.43 C ATOM 75 OG1 THR A 7 -21.270 8.587 19.702 1.00 54.30 O ATOM 76 CG2 THR A 7 -21.590 6.239 20.164 1.00 74.31 C ATOM 0 H THR A 7 -18.738 8.480 17.798 1.00 64.52 H new ATOM 0 HA THR A 7 -19.060 6.844 20.210 1.00 25.11 H new ATOM 0 HB THR A 7 -21.332 7.126 18.240 1.00 4.43 H new ATOM 0 HG1 THR A 7 -22.244 8.695 19.723 1.00 54.30 H new ATOM 0 HG21 THR A 7 -22.670 6.389 20.176 1.00 74.31 H new ATOM 0 HG22 THR A 7 -21.367 5.237 19.799 1.00 74.31 H new ATOM 0 HG23 THR A 7 -21.196 6.353 21.174 1.00 74.31 H new ATOM 84 N PHE A 8 -18.724 4.792 18.834 1.00 72.44 N ATOM 85 CA PHE A 8 -18.376 3.618 18.043 1.00 74.32 C ATOM 86 C PHE A 8 -19.629 2.927 17.513 1.00 42.23 C ATOM 87 O PHE A 8 -20.669 2.916 18.171 1.00 13.21 O ATOM 88 CB PHE A 8 -17.555 2.636 18.882 1.00 12.00 C ATOM 89 CG PHE A 8 -17.167 1.390 18.137 1.00 21.13 C ATOM 90 CD1 PHE A 8 -16.463 1.470 16.946 1.00 31.12 C ATOM 91 CD2 PHE A 8 -17.506 0.140 18.629 1.00 5.05 C ATOM 92 CE1 PHE A 8 -16.107 0.324 16.259 1.00 54.44 C ATOM 93 CE2 PHE A 8 -17.152 -1.009 17.946 1.00 0.21 C ATOM 94 CZ PHE A 8 -16.449 -0.916 16.760 1.00 42.01 C ATOM 0 H PHE A 8 -18.671 4.651 19.843 1.00 72.44 H new ATOM 0 HA PHE A 8 -17.778 3.948 17.194 1.00 74.32 H new ATOM 0 HB2 PHE A 8 -16.652 3.136 19.232 1.00 12.00 H new ATOM 0 HB3 PHE A 8 -18.129 2.358 19.766 1.00 12.00 H new ATOM 0 HD1 PHE A 8 -16.190 2.437 16.550 1.00 31.12 H new ATOM 0 HD2 PHE A 8 -18.053 0.062 19.557 1.00 5.05 H new ATOM 0 HE1 PHE A 8 -15.561 0.399 15.330 1.00 54.44 H new ATOM 0 HE2 PHE A 8 -17.424 -1.977 18.339 1.00 0.21 H new ATOM 0 HZ PHE A 8 -16.168 -1.812 16.226 1.00 42.01 H new ATOM 104 N ALA A 9 -19.521 2.355 16.318 1.00 64.33 N ATOM 105 CA ALA A 9 -20.645 1.662 15.701 1.00 42.51 C ATOM 106 C ALA A 9 -20.161 0.583 14.737 1.00 2.01 C ATOM 107 O ALA A 9 -19.086 0.698 14.148 1.00 64.30 O ATOM 108 CB ALA A 9 -21.544 2.655 14.976 1.00 35.14 C ATOM 0 H ALA A 9 -18.668 2.358 15.759 1.00 64.33 H new ATOM 0 HA ALA A 9 -21.220 1.177 16.490 1.00 42.51 H new ATOM 0 HB1 ALA A 9 -22.379 2.124 14.520 1.00 35.14 H new ATOM 0 HB2 ALA A 9 -21.925 3.388 15.687 1.00 35.14 H new ATOM 0 HB3 ALA A 9 -20.972 3.165 14.201 1.00 35.14 H new ATOM 114 N LYS A 10 -20.962 -0.467 14.583 1.00 52.41 N ATOM 115 CA LYS A 10 -20.616 -1.568 13.691 1.00 41.12 C ATOM 116 C LYS A 10 -21.198 -1.343 12.299 1.00 23.51 C ATOM 117 O LYS A 10 -22.317 -0.849 12.155 1.00 43.52 O ATOM 118 CB LYS A 10 -21.126 -2.893 14.261 1.00 62.44 C ATOM 119 CG LYS A 10 -20.084 -3.997 14.259 1.00 32.42 C ATOM 120 CD LYS A 10 -20.053 -4.732 12.929 1.00 71.01 C ATOM 121 CE LYS A 10 -18.674 -5.304 12.641 1.00 3.04 C ATOM 122 NZ LYS A 10 -18.222 -6.231 13.716 1.00 12.41 N ATOM 0 H LYS A 10 -21.854 -0.578 15.064 1.00 52.41 H new ATOM 0 HA LYS A 10 -19.530 -1.609 13.609 1.00 41.12 H new ATOM 0 HB2 LYS A 10 -21.470 -2.731 15.283 1.00 62.44 H new ATOM 0 HB3 LYS A 10 -21.990 -3.219 13.682 1.00 62.44 H new ATOM 0 HG2 LYS A 10 -19.102 -3.572 14.464 1.00 32.42 H new ATOM 0 HG3 LYS A 10 -20.299 -4.703 15.061 1.00 32.42 H new ATOM 0 HD2 LYS A 10 -20.787 -5.538 12.940 1.00 71.01 H new ATOM 0 HD3 LYS A 10 -20.340 -4.050 12.128 1.00 71.01 H new ATOM 0 HE2 LYS A 10 -18.692 -5.834 11.689 1.00 3.04 H new ATOM 0 HE3 LYS A 10 -17.957 -4.489 12.539 1.00 3.04 H new ATOM 0 HZ1 LYS A 10 -17.583 -6.945 13.312 1.00 12.41 H new ATOM 0 HZ2 LYS A 10 -17.720 -5.692 14.451 1.00 12.41 H new ATOM 0 HZ3 LYS A 10 -19.047 -6.704 14.137 1.00 12.41 H new ATOM 136 N THR A 11 -20.434 -1.711 11.275 1.00 54.13 N ATOM 137 CA THR A 11 -20.874 -1.551 9.896 1.00 3.12 C ATOM 138 C THR A 11 -21.333 -2.880 9.307 1.00 10.42 C ATOM 139 O THR A 11 -22.498 -3.040 8.944 1.00 64.41 O ATOM 140 CB THR A 11 -19.754 -0.970 9.012 1.00 53.01 C ATOM 141 OG1 THR A 11 -18.954 -0.057 9.773 1.00 3.34 O ATOM 142 CG2 THR A 11 -20.334 -0.257 7.801 1.00 3.02 C ATOM 0 H THR A 11 -19.506 -2.122 11.376 1.00 54.13 H new ATOM 0 HA THR A 11 -21.712 -0.855 9.911 1.00 3.12 H new ATOM 0 HB THR A 11 -19.132 -1.794 8.663 1.00 53.01 H new ATOM 0 HG1 THR A 11 -18.575 -0.522 10.548 1.00 3.34 H new ATOM 0 HG21 THR A 11 -19.524 0.144 7.193 1.00 3.02 H new ATOM 0 HG22 THR A 11 -20.918 -0.962 7.209 1.00 3.02 H new ATOM 0 HG23 THR A 11 -20.977 0.558 8.132 1.00 3.02 H new ATOM 150 N SER A 12 -20.409 -3.830 9.214 1.00 34.44 N ATOM 151 CA SER A 12 -20.719 -5.146 8.666 1.00 13.14 C ATOM 152 C SER A 12 -19.526 -6.088 8.806 1.00 74.05 C ATOM 153 O SER A 12 -18.412 -5.761 8.397 1.00 54.23 O ATOM 154 CB SER A 12 -21.118 -5.027 7.194 1.00 24.23 C ATOM 155 OG SER A 12 -20.015 -5.287 6.344 1.00 4.34 O ATOM 0 H SER A 12 -19.440 -3.714 9.511 1.00 34.44 H new ATOM 0 HA SER A 12 -21.555 -5.560 9.230 1.00 13.14 H new ATOM 0 HB2 SER A 12 -21.923 -5.728 6.975 1.00 24.23 H new ATOM 0 HB3 SER A 12 -21.504 -4.027 6.998 1.00 24.23 H new ATOM 0 HG SER A 12 -20.296 -5.206 5.409 1.00 4.34 H new ATOM 161 N ASP A 13 -19.769 -7.257 9.387 1.00 74.51 N ATOM 162 CA ASP A 13 -18.717 -8.248 9.581 1.00 73.52 C ATOM 163 C ASP A 13 -19.003 -9.510 8.774 1.00 33.02 C ATOM 164 O ASP A 13 -20.087 -10.084 8.864 1.00 3.01 O ATOM 165 CB ASP A 13 -18.583 -8.597 11.065 1.00 52.13 C ATOM 166 CG ASP A 13 -19.917 -8.920 11.707 1.00 2.43 C ATOM 167 OD1 ASP A 13 -20.669 -7.973 12.024 1.00 12.20 O ATOM 168 OD2 ASP A 13 -20.212 -10.119 11.892 1.00 31.11 O ATOM 0 H ASP A 13 -20.686 -7.542 9.732 1.00 74.51 H new ATOM 0 HA ASP A 13 -17.779 -7.819 9.230 1.00 73.52 H new ATOM 0 HB2 ASP A 13 -17.914 -9.450 11.175 1.00 52.13 H new ATOM 0 HB3 ASP A 13 -18.123 -7.761 11.592 1.00 52.13 H new ATOM 173 N TRP A 14 -18.023 -9.934 7.984 1.00 34.44 N ATOM 174 CA TRP A 14 -18.169 -11.128 7.159 1.00 24.43 C ATOM 175 C TRP A 14 -17.280 -12.256 7.670 1.00 2.32 C ATOM 176 O TRP A 14 -16.176 -12.464 7.168 1.00 0.40 O ATOM 177 CB TRP A 14 -17.827 -10.812 5.702 1.00 62.32 C ATOM 178 CG TRP A 14 -16.559 -10.028 5.547 1.00 41.12 C ATOM 179 CD1 TRP A 14 -15.325 -10.520 5.232 1.00 14.33 C ATOM 180 CD2 TRP A 14 -16.401 -8.614 5.703 1.00 63.25 C ATOM 181 NE1 TRP A 14 -14.409 -9.496 5.181 1.00 62.31 N ATOM 182 CE2 TRP A 14 -15.045 -8.317 5.466 1.00 0.22 C ATOM 183 CE3 TRP A 14 -17.274 -7.568 6.018 1.00 25.14 C ATOM 184 CZ2 TRP A 14 -14.544 -7.019 5.535 1.00 35.33 C ATOM 185 CZ3 TRP A 14 -16.776 -6.282 6.086 1.00 15.41 C ATOM 186 CH2 TRP A 14 -15.420 -6.016 5.845 1.00 23.10 C ATOM 0 H TRP A 14 -17.119 -9.469 7.897 1.00 34.44 H new ATOM 0 HA TRP A 14 -19.207 -11.455 7.218 1.00 24.43 H new ATOM 0 HB2 TRP A 14 -17.739 -11.745 5.146 1.00 62.32 H new ATOM 0 HB3 TRP A 14 -18.649 -10.252 5.256 1.00 62.32 H new ATOM 0 HD1 TRP A 14 -15.101 -11.561 5.050 1.00 14.33 H new ATOM 0 HE1 TRP A 14 -13.417 -9.598 4.966 1.00 62.31 H new ATOM 0 HE3 TRP A 14 -18.320 -7.763 6.205 1.00 25.14 H new ATOM 0 HZ2 TRP A 14 -13.500 -6.812 5.350 1.00 35.33 H new ATOM 0 HZ3 TRP A 14 -17.442 -5.467 6.329 1.00 15.41 H new ATOM 0 HH2 TRP A 14 -15.061 -4.999 5.905 1.00 23.10 H new ATOM 197 N GLY A 15 -17.767 -12.982 8.671 1.00 64.33 N ATOM 198 CA GLY A 15 -17.002 -14.080 9.233 1.00 22.11 C ATOM 199 C GLY A 15 -15.846 -13.603 10.090 1.00 31.03 C ATOM 200 O GLY A 15 -15.981 -13.461 11.305 1.00 23.42 O ATOM 0 H GLY A 15 -18.678 -12.830 9.103 1.00 64.33 H new ATOM 0 HA2 GLY A 15 -17.661 -14.708 9.833 1.00 22.11 H new ATOM 0 HA3 GLY A 15 -16.618 -14.702 8.425 1.00 22.11 H new ATOM 204 N THR A 16 -14.704 -13.355 9.456 1.00 43.30 N ATOM 205 CA THR A 16 -13.519 -12.894 10.167 1.00 63.52 C ATOM 206 C THR A 16 -13.313 -11.395 9.978 1.00 72.44 C ATOM 207 O THR A 16 -12.581 -10.759 10.735 1.00 54.52 O ATOM 208 CB THR A 16 -12.256 -13.638 9.695 1.00 55.14 C ATOM 209 OG1 THR A 16 -11.113 -13.169 10.419 1.00 31.20 O ATOM 210 CG2 THR A 16 -12.035 -13.438 8.204 1.00 44.50 C ATOM 0 H THR A 16 -14.575 -13.466 8.450 1.00 43.30 H new ATOM 0 HA THR A 16 -13.682 -13.105 11.224 1.00 63.52 H new ATOM 0 HB THR A 16 -12.395 -14.702 9.885 1.00 55.14 H new ATOM 0 HG1 THR A 16 -10.314 -13.648 10.115 1.00 31.20 H new ATOM 0 HG21 THR A 16 -11.137 -13.973 7.894 1.00 44.50 H new ATOM 0 HG22 THR A 16 -12.894 -13.822 7.654 1.00 44.50 H new ATOM 0 HG23 THR A 16 -11.915 -12.375 7.993 1.00 44.50 H new ATOM 218 N GLY A 17 -13.965 -10.836 8.964 1.00 51.53 N ATOM 219 CA GLY A 17 -13.840 -9.415 8.695 1.00 2.10 C ATOM 220 C GLY A 17 -14.869 -8.591 9.442 1.00 45.04 C ATOM 221 O GLY A 17 -15.947 -9.084 9.776 1.00 73.14 O ATOM 0 H GLY A 17 -14.578 -11.341 8.324 1.00 51.53 H new ATOM 0 HA2 GLY A 17 -12.840 -9.082 8.974 1.00 2.10 H new ATOM 0 HA3 GLY A 17 -13.947 -9.240 7.624 1.00 2.10 H new ATOM 225 N PHE A 18 -14.537 -7.331 9.708 1.00 14.13 N ATOM 226 CA PHE A 18 -15.439 -6.437 10.423 1.00 24.33 C ATOM 227 C PHE A 18 -15.396 -5.032 9.830 1.00 31.32 C ATOM 228 O PHE A 18 -14.349 -4.569 9.380 1.00 60.35 O ATOM 229 CB PHE A 18 -15.072 -6.388 11.908 1.00 31.32 C ATOM 230 CG PHE A 18 -13.976 -5.411 12.222 1.00 34.04 C ATOM 231 CD1 PHE A 18 -12.649 -5.741 11.996 1.00 73.51 C ATOM 232 CD2 PHE A 18 -14.272 -4.162 12.743 1.00 13.31 C ATOM 233 CE1 PHE A 18 -11.639 -4.844 12.286 1.00 51.30 C ATOM 234 CE2 PHE A 18 -13.265 -3.260 13.034 1.00 31.23 C ATOM 235 CZ PHE A 18 -11.948 -3.601 12.804 1.00 13.31 C ATOM 0 H PHE A 18 -13.649 -6.907 9.439 1.00 14.13 H new ATOM 0 HA PHE A 18 -16.452 -6.825 10.319 1.00 24.33 H new ATOM 0 HB2 PHE A 18 -15.959 -6.125 12.485 1.00 31.32 H new ATOM 0 HB3 PHE A 18 -14.765 -7.383 12.231 1.00 31.32 H new ATOM 0 HD1 PHE A 18 -12.402 -6.710 11.589 1.00 73.51 H new ATOM 0 HD2 PHE A 18 -15.301 -3.890 12.924 1.00 13.31 H new ATOM 0 HE1 PHE A 18 -10.609 -5.114 12.108 1.00 51.30 H new ATOM 0 HE2 PHE A 18 -13.509 -2.290 13.441 1.00 31.23 H new ATOM 0 HZ PHE A 18 -11.160 -2.897 13.029 1.00 13.31 H new ATOM 245 N GLY A 19 -16.542 -4.359 9.834 1.00 5.30 N ATOM 246 CA GLY A 19 -16.614 -3.014 9.293 1.00 64.51 C ATOM 247 C GLY A 19 -16.683 -1.956 10.377 1.00 33.51 C ATOM 248 O GLY A 19 -17.663 -1.879 11.118 1.00 72.31 O ATOM 0 H GLY A 19 -17.422 -4.721 10.202 1.00 5.30 H new ATOM 0 HA2 GLY A 19 -15.742 -2.831 8.666 1.00 64.51 H new ATOM 0 HA3 GLY A 19 -17.491 -2.930 8.651 1.00 64.51 H new ATOM 252 N GLY A 20 -15.639 -1.138 10.472 1.00 15.23 N ATOM 253 CA GLY A 20 -15.604 -0.093 11.477 1.00 45.34 C ATOM 254 C GLY A 20 -16.465 1.098 11.105 1.00 42.41 C ATOM 255 O GLY A 20 -16.456 1.545 9.958 1.00 31.10 O ATOM 0 H GLY A 20 -14.817 -1.181 9.870 1.00 15.23 H new ATOM 0 HA2 GLY A 20 -15.943 -0.499 12.430 1.00 45.34 H new ATOM 0 HA3 GLY A 20 -14.575 0.237 11.618 1.00 45.34 H new ATOM 259 N SER A 21 -17.212 1.613 12.076 1.00 53.33 N ATOM 260 CA SER A 21 -18.086 2.757 11.843 1.00 30.14 C ATOM 261 C SER A 21 -17.967 3.772 12.976 1.00 63.21 C ATOM 262 O SER A 21 -18.640 3.656 14.000 1.00 32.52 O ATOM 263 CB SER A 21 -19.539 2.295 11.707 1.00 71.25 C ATOM 264 OG SER A 21 -20.061 2.623 10.431 1.00 32.41 O ATOM 0 H SER A 21 -17.230 1.256 13.031 1.00 53.33 H new ATOM 0 HA SER A 21 -17.776 3.237 10.915 1.00 30.14 H new ATOM 0 HB2 SER A 21 -19.597 1.218 11.861 1.00 71.25 H new ATOM 0 HB3 SER A 21 -20.146 2.761 12.483 1.00 71.25 H new ATOM 0 HG SER A 21 -19.869 1.896 9.802 1.00 32.41 H new ATOM 270 N TRP A 22 -17.108 4.765 12.784 1.00 11.44 N ATOM 271 CA TRP A 22 -16.900 5.802 13.788 1.00 33.41 C ATOM 272 C TRP A 22 -17.684 7.062 13.441 1.00 5.31 C ATOM 273 O TRP A 22 -17.710 7.493 12.287 1.00 33.23 O ATOM 274 CB TRP A 22 -15.411 6.131 13.910 1.00 30.54 C ATOM 275 CG TRP A 22 -14.592 4.990 14.435 1.00 55.21 C ATOM 276 CD1 TRP A 22 -13.855 4.105 13.702 1.00 4.35 C ATOM 277 CD2 TRP A 22 -14.428 4.612 15.806 1.00 42.11 C ATOM 278 NE1 TRP A 22 -13.243 3.199 14.535 1.00 3.42 N ATOM 279 CE2 TRP A 22 -13.578 3.489 15.830 1.00 44.13 C ATOM 280 CE3 TRP A 22 -14.915 5.115 17.016 1.00 73.43 C ATOM 281 CZ2 TRP A 22 -13.208 2.862 17.017 1.00 1.11 C ATOM 282 CZ3 TRP A 22 -14.547 4.490 18.193 1.00 14.01 C ATOM 283 CH2 TRP A 22 -13.700 3.374 18.186 1.00 71.51 C ATOM 0 H TRP A 22 -16.543 4.875 11.942 1.00 11.44 H new ATOM 0 HA TRP A 22 -17.262 5.424 14.744 1.00 33.41 H new ATOM 0 HB2 TRP A 22 -15.029 6.423 12.932 1.00 30.54 H new ATOM 0 HB3 TRP A 22 -15.289 6.990 14.569 1.00 30.54 H new ATOM 0 HD1 TRP A 22 -13.766 4.115 12.626 1.00 4.35 H new ATOM 0 HE1 TRP A 22 -12.637 2.434 14.236 1.00 3.42 H new ATOM 0 HE3 TRP A 22 -15.567 5.976 17.031 1.00 73.43 H new ATOM 0 HZ2 TRP A 22 -12.555 2.002 17.015 1.00 1.11 H new ATOM 0 HZ3 TRP A 22 -14.919 4.868 19.134 1.00 14.01 H new ATOM 0 HH2 TRP A 22 -13.430 2.909 19.122 1.00 71.51 H new ATOM 294 N THR A 23 -18.324 7.651 14.446 1.00 20.41 N ATOM 295 CA THR A 23 -19.111 8.861 14.247 1.00 44.52 C ATOM 296 C THR A 23 -18.490 10.047 14.977 1.00 45.14 C ATOM 297 O THR A 23 -18.582 10.153 16.200 1.00 53.21 O ATOM 298 CB THR A 23 -20.561 8.676 14.733 1.00 53.51 C ATOM 299 OG1 THR A 23 -21.097 7.452 14.220 1.00 20.21 O ATOM 300 CG2 THR A 23 -21.433 9.842 14.291 1.00 71.12 C ATOM 0 H THR A 23 -18.313 7.309 15.407 1.00 20.41 H new ATOM 0 HA THR A 23 -19.118 9.060 13.175 1.00 44.52 H new ATOM 0 HB THR A 23 -20.554 8.641 15.822 1.00 53.51 H new ATOM 0 HG1 THR A 23 -20.875 7.371 13.269 1.00 20.21 H new ATOM 0 HG21 THR A 23 -22.452 9.689 14.646 1.00 71.12 H new ATOM 0 HG22 THR A 23 -21.039 10.769 14.707 1.00 71.12 H new ATOM 0 HG23 THR A 23 -21.433 9.904 13.203 1.00 71.12 H new ATOM 308 N VAL A 24 -17.859 10.939 14.219 1.00 34.25 N ATOM 309 CA VAL A 24 -17.223 12.118 14.794 1.00 64.14 C ATOM 310 C VAL A 24 -18.153 13.325 14.737 1.00 73.02 C ATOM 311 O VAL A 24 -18.743 13.621 13.697 1.00 33.51 O ATOM 312 CB VAL A 24 -15.911 12.460 14.065 1.00 75.44 C ATOM 313 CG1 VAL A 24 -15.165 13.564 14.798 1.00 74.43 C ATOM 314 CG2 VAL A 24 -15.041 11.219 13.925 1.00 61.03 C ATOM 0 H VAL A 24 -17.775 10.867 13.205 1.00 34.25 H new ATOM 0 HA VAL A 24 -17.000 11.882 15.835 1.00 64.14 H new ATOM 0 HB VAL A 24 -16.154 12.821 13.065 1.00 75.44 H new ATOM 0 HG11 VAL A 24 -14.240 13.792 14.268 1.00 74.43 H new ATOM 0 HG12 VAL A 24 -15.788 14.457 14.842 1.00 74.43 H new ATOM 0 HG13 VAL A 24 -14.931 13.235 15.810 1.00 74.43 H new ATOM 0 HG21 VAL A 24 -14.118 11.479 13.407 1.00 61.03 H new ATOM 0 HG22 VAL A 24 -14.805 10.827 14.914 1.00 61.03 H new ATOM 0 HG23 VAL A 24 -15.577 10.462 13.353 1.00 61.03 H new ATOM 324 N LYS A 25 -18.280 14.021 15.861 1.00 60.14 N ATOM 325 CA LYS A 25 -19.137 15.198 15.941 1.00 54.11 C ATOM 326 C LYS A 25 -18.442 16.326 16.698 1.00 21.44 C ATOM 327 O LYS A 25 -18.064 16.166 17.858 1.00 65.31 O ATOM 328 CB LYS A 25 -20.459 14.848 16.627 1.00 34.11 C ATOM 329 CG LYS A 25 -21.399 16.031 16.776 1.00 71.31 C ATOM 330 CD LYS A 25 -22.834 15.646 16.455 1.00 74.03 C ATOM 331 CE LYS A 25 -23.598 15.250 17.710 1.00 34.13 C ATOM 332 NZ LYS A 25 -24.840 16.053 17.880 1.00 41.45 N ATOM 0 H LYS A 25 -17.800 13.790 16.731 1.00 60.14 H new ATOM 0 HA LYS A 25 -19.341 15.537 14.925 1.00 54.11 H new ATOM 0 HB2 LYS A 25 -20.960 14.067 16.055 1.00 34.11 H new ATOM 0 HB3 LYS A 25 -20.248 14.435 17.614 1.00 34.11 H new ATOM 0 HG2 LYS A 25 -21.343 16.415 17.795 1.00 71.31 H new ATOM 0 HG3 LYS A 25 -21.080 16.836 16.114 1.00 71.31 H new ATOM 0 HD2 LYS A 25 -23.337 16.483 15.970 1.00 74.03 H new ATOM 0 HD3 LYS A 25 -22.840 14.817 15.747 1.00 74.03 H new ATOM 0 HE2 LYS A 25 -23.854 14.192 17.661 1.00 34.13 H new ATOM 0 HE3 LYS A 25 -22.958 15.383 18.582 1.00 34.13 H new ATOM 0 HZ1 LYS A 25 -25.332 15.753 18.746 1.00 41.45 H new ATOM 0 HZ2 LYS A 25 -24.594 17.061 17.953 1.00 41.45 H new ATOM 0 HZ3 LYS A 25 -25.463 15.907 17.060 1.00 41.45 H new ATOM 346 N ASN A 26 -18.279 17.465 16.035 1.00 43.41 N ATOM 347 CA ASN A 26 -17.631 18.620 16.647 1.00 11.23 C ATOM 348 C ASN A 26 -18.616 19.774 16.809 1.00 73.52 C ATOM 349 O ASN A 26 -19.175 20.272 15.832 1.00 15.34 O ATOM 350 CB ASN A 26 -16.438 19.069 15.800 1.00 44.34 C ATOM 351 CG ASN A 26 -15.645 17.899 15.251 1.00 4.41 C ATOM 352 OD1 ASN A 26 -15.492 17.753 14.038 1.00 23.11 O ATOM 353 ND2 ASN A 26 -15.136 17.058 16.143 1.00 63.40 N ATOM 0 H ASN A 26 -18.586 17.614 15.074 1.00 43.41 H new ATOM 0 HA ASN A 26 -17.277 18.326 17.635 1.00 11.23 H new ATOM 0 HB2 ASN A 26 -16.794 19.683 14.973 1.00 44.34 H new ATOM 0 HB3 ASN A 26 -15.783 19.697 16.404 1.00 44.34 H new ATOM 0 HD21 ASN A 26 -14.593 16.252 15.832 1.00 63.40 H new ATOM 0 HD22 ASN A 26 -15.288 17.218 17.139 1.00 63.40 H new ATOM 360 N THR A 27 -18.825 20.195 18.053 1.00 31.11 N ATOM 361 CA THR A 27 -19.742 21.289 18.345 1.00 64.41 C ATOM 362 C THR A 27 -19.566 21.787 19.775 1.00 71.44 C ATOM 363 O THR A 27 -19.062 21.067 20.636 1.00 72.22 O ATOM 364 CB THR A 27 -21.208 20.864 18.139 1.00 33.44 C ATOM 365 OG1 THR A 27 -21.270 19.478 17.783 1.00 10.32 O ATOM 366 CG2 THR A 27 -21.867 21.701 17.054 1.00 42.44 C ATOM 0 H THR A 27 -18.371 19.794 18.874 1.00 31.11 H new ATOM 0 HA THR A 27 -19.504 22.094 17.650 1.00 64.41 H new ATOM 0 HB THR A 27 -21.744 21.023 19.074 1.00 33.44 H new ATOM 0 HG1 THR A 27 -22.205 19.215 17.655 1.00 10.32 H new ATOM 0 HG21 THR A 27 -22.902 21.382 16.927 1.00 42.44 H new ATOM 0 HG22 THR A 27 -21.844 22.752 17.341 1.00 42.44 H new ATOM 0 HG23 THR A 27 -21.329 21.569 16.115 1.00 42.44 H new ATOM 374 N GLY A 28 -19.986 23.024 20.022 1.00 72.32 N ATOM 375 CA GLY A 28 -19.867 23.597 21.350 1.00 72.32 C ATOM 376 C GLY A 28 -18.648 24.487 21.490 1.00 50.21 C ATOM 377 O GLY A 28 -18.641 25.424 22.290 1.00 23.25 O ATOM 0 H GLY A 28 -20.407 23.640 19.326 1.00 72.32 H new ATOM 0 HA2 GLY A 28 -20.763 24.175 21.574 1.00 72.32 H new ATOM 0 HA3 GLY A 28 -19.813 22.794 22.085 1.00 72.32 H new ATOM 381 N THR A 29 -17.611 24.195 20.711 1.00 75.45 N ATOM 382 CA THR A 29 -16.380 24.973 20.753 1.00 51.15 C ATOM 383 C THR A 29 -16.278 25.907 19.553 1.00 1.53 C ATOM 384 O THR A 29 -17.068 25.816 18.612 1.00 74.50 O ATOM 385 CB THR A 29 -15.139 24.061 20.787 1.00 50.34 C ATOM 386 OG1 THR A 29 -15.075 23.277 19.590 1.00 43.11 O ATOM 387 CG2 THR A 29 -15.174 23.143 21.998 1.00 61.54 C ATOM 0 H THR A 29 -17.600 23.424 20.043 1.00 75.45 H new ATOM 0 HA THR A 29 -16.412 25.564 21.668 1.00 51.15 H new ATOM 0 HB THR A 29 -14.253 24.693 20.856 1.00 50.34 H new ATOM 0 HG1 THR A 29 -14.283 22.701 19.618 1.00 43.11 H new ATOM 0 HG21 THR A 29 -14.287 22.509 22.000 1.00 61.54 H new ATOM 0 HG22 THR A 29 -15.193 23.742 22.908 1.00 61.54 H new ATOM 0 HG23 THR A 29 -16.066 22.519 21.956 1.00 61.54 H new ATOM 395 N THR A 30 -15.300 26.807 19.589 1.00 70.44 N ATOM 396 CA THR A 30 -15.095 27.758 18.505 1.00 44.14 C ATOM 397 C THR A 30 -14.816 27.040 17.190 1.00 2.32 C ATOM 398 O THR A 30 -14.931 25.817 17.102 1.00 40.53 O ATOM 399 CB THR A 30 -13.928 28.717 18.810 1.00 21.21 C ATOM 400 OG1 THR A 30 -13.482 28.531 20.159 1.00 45.12 O ATOM 401 CG2 THR A 30 -14.349 30.164 18.604 1.00 43.13 C ATOM 0 H THR A 30 -14.637 26.897 20.359 1.00 70.44 H new ATOM 0 HA THR A 30 -16.015 28.335 18.414 1.00 44.14 H new ATOM 0 HB THR A 30 -13.112 28.492 18.123 1.00 21.21 H new ATOM 0 HG1 THR A 30 -12.739 29.142 20.345 1.00 45.12 H new ATOM 0 HG21 THR A 30 -13.509 30.822 18.825 1.00 43.13 H new ATOM 0 HG22 THR A 30 -14.661 30.309 17.570 1.00 43.13 H new ATOM 0 HG23 THR A 30 -15.180 30.400 19.269 1.00 43.13 H new ATOM 409 N SER A 31 -14.450 27.807 16.168 1.00 44.02 N ATOM 410 CA SER A 31 -14.158 27.244 14.854 1.00 72.51 C ATOM 411 C SER A 31 -13.155 26.099 14.966 1.00 45.01 C ATOM 412 O SER A 31 -12.067 26.264 15.519 1.00 31.14 O ATOM 413 CB SER A 31 -13.611 28.327 13.922 1.00 2.22 C ATOM 414 OG SER A 31 -13.061 27.757 12.747 1.00 3.52 O ATOM 0 H SER A 31 -14.348 28.820 16.224 1.00 44.02 H new ATOM 0 HA SER A 31 -15.086 26.852 14.438 1.00 72.51 H new ATOM 0 HB2 SER A 31 -14.410 29.019 13.655 1.00 2.22 H new ATOM 0 HB3 SER A 31 -12.847 28.906 14.441 1.00 2.22 H new ATOM 0 HG SER A 31 -12.719 28.469 12.167 1.00 3.52 H new ATOM 420 N LEU A 32 -13.531 24.940 14.437 1.00 54.40 N ATOM 421 CA LEU A 32 -12.665 23.766 14.476 1.00 43.20 C ATOM 422 C LEU A 32 -11.673 23.783 13.318 1.00 15.54 C ATOM 423 O LEU A 32 -11.627 24.735 12.540 1.00 52.21 O ATOM 424 CB LEU A 32 -13.504 22.488 14.426 1.00 11.12 C ATOM 425 CG LEU A 32 -13.173 21.427 15.475 1.00 65.43 C ATOM 426 CD1 LEU A 32 -14.040 21.612 16.712 1.00 61.51 C ATOM 427 CD2 LEU A 32 -13.356 20.030 14.899 1.00 65.31 C ATOM 0 H LEU A 32 -14.428 24.788 13.977 1.00 54.40 H new ATOM 0 HA LEU A 32 -12.104 23.789 15.410 1.00 43.20 H new ATOM 0 HB2 LEU A 32 -14.554 22.762 14.534 1.00 11.12 H new ATOM 0 HB3 LEU A 32 -13.391 22.041 13.438 1.00 11.12 H new ATOM 0 HG LEU A 32 -12.129 21.544 15.765 1.00 65.43 H new ATOM 0 HD11 LEU A 32 -13.791 20.848 17.448 1.00 61.51 H new ATOM 0 HD12 LEU A 32 -13.860 22.599 17.138 1.00 61.51 H new ATOM 0 HD13 LEU A 32 -15.091 21.522 16.437 1.00 61.51 H new ATOM 0 HD21 LEU A 32 -13.116 19.288 15.661 1.00 65.31 H new ATOM 0 HD22 LEU A 32 -14.390 19.901 14.580 1.00 65.31 H new ATOM 0 HD23 LEU A 32 -12.693 19.900 14.043 1.00 65.31 H new ATOM 439 N SER A 33 -10.881 22.721 13.208 1.00 32.30 N ATOM 440 CA SER A 33 -9.887 22.613 12.146 1.00 24.20 C ATOM 441 C SER A 33 -9.781 21.176 11.645 1.00 11.33 C ATOM 442 O SER A 33 -9.886 20.915 10.447 1.00 12.53 O ATOM 443 CB SER A 33 -8.524 23.095 12.643 1.00 12.04 C ATOM 444 OG SER A 33 -8.375 24.491 12.455 1.00 30.43 O ATOM 0 H SER A 33 -10.908 21.922 13.842 1.00 32.30 H new ATOM 0 HA SER A 33 -10.207 23.245 11.317 1.00 24.20 H new ATOM 0 HB2 SER A 33 -8.413 22.854 13.700 1.00 12.04 H new ATOM 0 HB3 SER A 33 -7.732 22.567 12.111 1.00 12.04 H new ATOM 0 HG SER A 33 -8.056 24.666 11.545 1.00 30.43 H new ATOM 450 N SER A 34 -9.573 20.247 12.572 1.00 34.41 N ATOM 451 CA SER A 34 -9.448 18.836 12.226 1.00 11.01 C ATOM 452 C SER A 34 -9.808 17.950 13.414 1.00 64.25 C ATOM 453 O SER A 34 -10.074 18.443 14.511 1.00 62.34 O ATOM 454 CB SER A 34 -8.025 18.527 11.759 1.00 40.41 C ATOM 455 OG SER A 34 -7.263 17.940 12.799 1.00 1.43 O ATOM 0 H SER A 34 -9.487 20.446 13.569 1.00 34.41 H new ATOM 0 HA SER A 34 -10.144 18.625 11.414 1.00 11.01 H new ATOM 0 HB2 SER A 34 -8.058 17.853 10.903 1.00 40.41 H new ATOM 0 HB3 SER A 34 -7.542 19.445 11.423 1.00 40.41 H new ATOM 0 HG SER A 34 -6.358 17.751 12.475 1.00 1.43 H new ATOM 461 N TRP A 35 -9.814 16.642 13.190 1.00 2.34 N ATOM 462 CA TRP A 35 -10.142 15.687 14.241 1.00 34.21 C ATOM 463 C TRP A 35 -9.307 14.418 14.104 1.00 3.32 C ATOM 464 O TRP A 35 -9.271 13.799 13.039 1.00 73.52 O ATOM 465 CB TRP A 35 -11.631 15.340 14.198 1.00 31.42 C ATOM 466 CG TRP A 35 -12.145 15.095 12.812 1.00 53.21 C ATOM 467 CD1 TRP A 35 -12.642 16.026 11.946 1.00 53.03 C ATOM 468 CD2 TRP A 35 -12.212 13.836 12.133 1.00 41.31 C ATOM 469 NE1 TRP A 35 -13.014 15.422 10.769 1.00 65.02 N ATOM 470 CE2 TRP A 35 -12.760 14.080 10.858 1.00 70.33 C ATOM 471 CE3 TRP A 35 -11.861 12.528 12.476 1.00 64.20 C ATOM 472 CZ2 TRP A 35 -12.965 13.063 9.930 1.00 21.34 C ATOM 473 CZ3 TRP A 35 -12.066 11.520 11.554 1.00 13.32 C ATOM 474 CH2 TRP A 35 -12.613 11.791 10.292 1.00 64.52 C ATOM 0 H TRP A 35 -9.595 16.218 12.289 1.00 2.34 H new ATOM 0 HA TRP A 35 -9.912 16.149 15.201 1.00 34.21 H new ATOM 0 HB2 TRP A 35 -11.807 14.452 14.805 1.00 31.42 H new ATOM 0 HB3 TRP A 35 -12.199 16.153 14.650 1.00 31.42 H new ATOM 0 HD1 TRP A 35 -12.730 17.082 12.155 1.00 53.03 H new ATOM 0 HE1 TRP A 35 -13.415 15.897 9.960 1.00 65.02 H new ATOM 0 HE3 TRP A 35 -11.437 12.309 13.445 1.00 64.20 H new ATOM 0 HZ2 TRP A 35 -13.387 13.271 8.958 1.00 21.34 H new ATOM 0 HZ3 TRP A 35 -11.800 10.505 11.810 1.00 13.32 H new ATOM 0 HH2 TRP A 35 -12.759 10.981 9.593 1.00 64.52 H new ATOM 485 N THR A 36 -8.638 14.034 15.186 1.00 72.44 N ATOM 486 CA THR A 36 -7.803 12.840 15.185 1.00 54.14 C ATOM 487 C THR A 36 -8.309 11.815 16.194 1.00 71.13 C ATOM 488 O THR A 36 -8.060 11.935 17.394 1.00 22.30 O ATOM 489 CB THR A 36 -6.335 13.180 15.508 1.00 3.02 C ATOM 490 OG1 THR A 36 -5.934 14.351 14.788 1.00 21.03 O ATOM 491 CG2 THR A 36 -5.420 12.019 15.148 1.00 72.15 C ATOM 0 H THR A 36 -8.658 14.533 16.075 1.00 72.44 H new ATOM 0 HA THR A 36 -7.858 12.417 14.182 1.00 54.14 H new ATOM 0 HB THR A 36 -6.255 13.367 16.579 1.00 3.02 H new ATOM 0 HG1 THR A 36 -5.001 14.562 15.000 1.00 21.03 H new ATOM 0 HG21 THR A 36 -4.389 12.282 15.385 1.00 72.15 H new ATOM 0 HG22 THR A 36 -5.710 11.137 15.719 1.00 72.15 H new ATOM 0 HG23 THR A 36 -5.505 11.806 14.082 1.00 72.15 H new ATOM 499 N VAL A 37 -9.020 10.806 15.700 1.00 72.24 N ATOM 500 CA VAL A 37 -9.559 9.758 16.559 1.00 54.33 C ATOM 501 C VAL A 37 -8.707 8.495 16.487 1.00 41.24 C ATOM 502 O VAL A 37 -8.602 7.867 15.434 1.00 70.30 O ATOM 503 CB VAL A 37 -11.009 9.409 16.175 1.00 70.32 C ATOM 504 CG1 VAL A 37 -11.103 9.070 14.696 1.00 41.40 C ATOM 505 CG2 VAL A 37 -11.523 8.259 17.027 1.00 70.15 C ATOM 0 H VAL A 37 -9.236 10.692 14.710 1.00 72.24 H new ATOM 0 HA VAL A 37 -9.544 10.145 17.578 1.00 54.33 H new ATOM 0 HB VAL A 37 -11.636 10.280 16.364 1.00 70.32 H new ATOM 0 HG11 VAL A 37 -12.135 8.826 14.443 1.00 41.40 H new ATOM 0 HG12 VAL A 37 -10.777 9.926 14.105 1.00 41.40 H new ATOM 0 HG13 VAL A 37 -10.464 8.214 14.478 1.00 41.40 H new ATOM 0 HG21 VAL A 37 -12.549 8.026 16.742 1.00 70.15 H new ATOM 0 HG22 VAL A 37 -10.895 7.382 16.872 1.00 70.15 H new ATOM 0 HG23 VAL A 37 -11.494 8.544 18.079 1.00 70.15 H new ATOM 515 N GLU A 38 -8.102 8.131 17.613 1.00 13.51 N ATOM 516 CA GLU A 38 -7.259 6.943 17.675 1.00 71.23 C ATOM 517 C GLU A 38 -7.710 6.014 18.800 1.00 5.31 C ATOM 518 O GLU A 38 -8.387 6.440 19.736 1.00 11.25 O ATOM 519 CB GLU A 38 -5.795 7.339 17.884 1.00 5.33 C ATOM 520 CG GLU A 38 -5.601 8.418 18.936 1.00 71.13 C ATOM 521 CD GLU A 38 -5.503 9.807 18.336 1.00 20.31 C ATOM 522 OE1 GLU A 38 -6.104 10.034 17.265 1.00 11.24 O ATOM 523 OE2 GLU A 38 -4.826 10.667 18.936 1.00 72.42 O ATOM 0 H GLU A 38 -8.180 8.641 18.493 1.00 13.51 H new ATOM 0 HA GLU A 38 -7.353 6.412 16.728 1.00 71.23 H new ATOM 0 HB2 GLU A 38 -5.226 6.455 18.173 1.00 5.33 H new ATOM 0 HB3 GLU A 38 -5.383 7.688 16.937 1.00 5.33 H new ATOM 0 HG2 GLU A 38 -6.433 8.388 19.639 1.00 71.13 H new ATOM 0 HG3 GLU A 38 -4.695 8.207 19.505 1.00 71.13 H new ATOM 530 N TRP A 39 -7.332 4.745 18.698 1.00 43.44 N ATOM 531 CA TRP A 39 -7.698 3.756 19.706 1.00 3.33 C ATOM 532 C TRP A 39 -6.644 2.659 19.799 1.00 42.25 C ATOM 533 O TRP A 39 -5.731 2.591 18.977 1.00 12.15 O ATOM 534 CB TRP A 39 -9.061 3.144 19.376 1.00 63.34 C ATOM 535 CG TRP A 39 -9.703 3.742 18.161 1.00 21.24 C ATOM 536 CD1 TRP A 39 -10.731 4.640 18.135 1.00 23.42 C ATOM 537 CD2 TRP A 39 -9.360 3.482 16.795 1.00 75.43 C ATOM 538 NE1 TRP A 39 -11.048 4.953 16.836 1.00 5.30 N ATOM 539 CE2 TRP A 39 -10.221 4.257 15.995 1.00 41.23 C ATOM 540 CE3 TRP A 39 -8.408 2.671 16.172 1.00 12.11 C ATOM 541 CZ2 TRP A 39 -10.158 4.243 14.604 1.00 12.34 C ATOM 542 CZ3 TRP A 39 -8.346 2.657 14.791 1.00 45.12 C ATOM 543 CH2 TRP A 39 -9.216 3.440 14.019 1.00 30.53 C ATOM 0 H TRP A 39 -6.773 4.377 17.929 1.00 43.44 H new ATOM 0 HA TRP A 39 -7.757 4.260 20.671 1.00 3.33 H new ATOM 0 HB2 TRP A 39 -8.942 2.071 19.224 1.00 63.34 H new ATOM 0 HB3 TRP A 39 -9.726 3.274 20.230 1.00 63.34 H new ATOM 0 HD1 TRP A 39 -11.222 5.045 19.007 1.00 23.42 H new ATOM 0 HE1 TRP A 39 -11.781 5.600 16.545 1.00 5.30 H new ATOM 0 HE3 TRP A 39 -7.733 2.066 16.759 1.00 12.11 H new ATOM 0 HZ2 TRP A 39 -10.828 4.844 14.008 1.00 12.34 H new ATOM 0 HZ3 TRP A 39 -7.615 2.033 14.299 1.00 45.12 H new ATOM 0 HH2 TRP A 39 -9.142 3.409 12.942 1.00 30.53 H new ATOM 554 N ASP A 40 -6.776 1.803 20.807 1.00 14.54 N ATOM 555 CA ASP A 40 -5.834 0.708 21.007 1.00 62.33 C ATOM 556 C ASP A 40 -6.378 -0.590 20.419 1.00 21.24 C ATOM 557 O ASP A 40 -7.521 -0.971 20.678 1.00 54.51 O ATOM 558 CB ASP A 40 -5.541 0.525 22.497 1.00 20.23 C ATOM 559 CG ASP A 40 -4.068 0.303 22.775 1.00 14.23 C ATOM 560 OD1 ASP A 40 -3.316 1.299 22.823 1.00 65.53 O ATOM 561 OD2 ASP A 40 -3.666 -0.867 22.944 1.00 31.11 O ATOM 0 H ASP A 40 -7.526 1.846 21.497 1.00 14.54 H new ATOM 0 HA ASP A 40 -4.907 0.959 20.491 1.00 62.33 H new ATOM 0 HB2 ASP A 40 -5.882 1.405 23.042 1.00 20.23 H new ATOM 0 HB3 ASP A 40 -6.111 -0.324 22.875 1.00 20.23 H new ATOM 566 N PHE A 41 -5.553 -1.266 19.627 1.00 23.05 N ATOM 567 CA PHE A 41 -5.952 -2.522 19.000 1.00 3.54 C ATOM 568 C PHE A 41 -5.153 -3.691 19.567 1.00 70.14 C ATOM 569 O PHE A 41 -4.238 -4.217 18.933 1.00 52.31 O ATOM 570 CB PHE A 41 -5.758 -2.444 17.484 1.00 55.41 C ATOM 571 CG PHE A 41 -6.974 -1.958 16.748 1.00 53.53 C ATOM 572 CD1 PHE A 41 -7.811 -1.010 17.316 1.00 13.14 C ATOM 573 CD2 PHE A 41 -7.279 -2.448 15.488 1.00 33.13 C ATOM 574 CE1 PHE A 41 -8.929 -0.561 16.640 1.00 64.33 C ATOM 575 CE2 PHE A 41 -8.396 -2.001 14.808 1.00 34.21 C ATOM 576 CZ PHE A 41 -9.223 -1.058 15.386 1.00 42.43 C ATOM 0 H PHE A 41 -4.604 -0.966 19.404 1.00 23.05 H new ATOM 0 HA PHE A 41 -7.007 -2.688 19.216 1.00 3.54 H new ATOM 0 HB2 PHE A 41 -4.922 -1.779 17.267 1.00 55.41 H new ATOM 0 HB3 PHE A 41 -5.487 -3.431 17.109 1.00 55.41 H new ATOM 0 HD1 PHE A 41 -7.587 -0.618 18.297 1.00 13.14 H new ATOM 0 HD2 PHE A 41 -6.637 -3.187 15.033 1.00 33.13 H new ATOM 0 HE1 PHE A 41 -9.573 0.179 17.092 1.00 64.33 H new ATOM 0 HE2 PHE A 41 -8.622 -2.389 13.826 1.00 34.21 H new ATOM 0 HZ PHE A 41 -10.098 -0.710 14.858 1.00 42.43 H new ATOM 586 N PRO A 42 -5.504 -4.107 20.792 1.00 31.44 N ATOM 587 CA PRO A 42 -4.833 -5.219 21.474 1.00 12.51 C ATOM 588 C PRO A 42 -5.133 -6.564 20.822 1.00 31.42 C ATOM 589 O PRO A 42 -4.224 -7.345 20.536 1.00 41.22 O ATOM 590 CB PRO A 42 -5.411 -5.169 22.889 1.00 65.41 C ATOM 591 CG PRO A 42 -6.740 -4.513 22.733 1.00 3.03 C ATOM 592 CD PRO A 42 -6.585 -3.528 21.607 1.00 61.31 C ATOM 0 HA PRO A 42 -3.748 -5.123 21.440 1.00 12.51 H new ATOM 0 HB2 PRO A 42 -5.510 -6.169 23.312 1.00 65.41 H new ATOM 0 HB3 PRO A 42 -4.766 -4.602 23.560 1.00 65.41 H new ATOM 0 HG2 PRO A 42 -7.513 -5.247 22.506 1.00 3.03 H new ATOM 0 HG3 PRO A 42 -7.038 -4.010 23.653 1.00 3.03 H new ATOM 0 HD2 PRO A 42 -7.507 -3.423 21.035 1.00 61.31 H new ATOM 0 HD3 PRO A 42 -6.323 -2.536 21.975 1.00 61.31 H new ATOM 600 N THR A 43 -6.415 -6.832 20.589 1.00 72.55 N ATOM 601 CA THR A 43 -6.834 -8.084 19.973 1.00 65.31 C ATOM 602 C THR A 43 -6.511 -8.098 18.483 1.00 30.23 C ATOM 603 O THR A 43 -6.592 -7.072 17.810 1.00 13.31 O ATOM 604 CB THR A 43 -8.345 -8.323 20.161 1.00 20.24 C ATOM 605 OG1 THR A 43 -9.079 -7.163 19.753 1.00 71.35 O ATOM 606 CG2 THR A 43 -8.665 -8.650 21.611 1.00 55.24 C ATOM 0 H THR A 43 -7.180 -6.198 20.818 1.00 72.55 H new ATOM 0 HA THR A 43 -6.282 -8.882 20.469 1.00 65.31 H new ATOM 0 HB THR A 43 -8.636 -9.172 19.542 1.00 20.24 H new ATOM 0 HG1 THR A 43 -10.038 -7.324 19.874 1.00 71.35 H new ATOM 0 HG21 THR A 43 -9.737 -8.815 21.719 1.00 55.24 H new ATOM 0 HG22 THR A 43 -8.128 -9.551 21.908 1.00 55.24 H new ATOM 0 HG23 THR A 43 -8.360 -7.819 22.247 1.00 55.24 H new ATOM 614 N GLY A 44 -6.144 -9.270 17.973 1.00 73.43 N ATOM 615 CA GLY A 44 -5.813 -9.396 16.566 1.00 24.33 C ATOM 616 C GLY A 44 -6.750 -8.603 15.677 1.00 25.44 C ATOM 617 O GLY A 44 -7.851 -9.057 15.361 1.00 24.13 O ATOM 0 H GLY A 44 -6.070 -10.134 18.510 1.00 73.43 H new ATOM 0 HA2 GLY A 44 -4.790 -9.056 16.405 1.00 24.33 H new ATOM 0 HA3 GLY A 44 -5.849 -10.447 16.280 1.00 24.33 H new ATOM 621 N THR A 45 -6.317 -7.414 15.275 1.00 2.53 N ATOM 622 CA THR A 45 -7.126 -6.555 14.419 1.00 50.13 C ATOM 623 C THR A 45 -6.254 -5.578 13.637 1.00 32.53 C ATOM 624 O THR A 45 -5.160 -5.220 14.074 1.00 41.21 O ATOM 625 CB THR A 45 -8.159 -5.759 15.238 1.00 63.35 C ATOM 626 OG1 THR A 45 -8.827 -6.628 16.161 1.00 41.33 O ATOM 627 CG2 THR A 45 -9.182 -5.098 14.326 1.00 34.04 C ATOM 0 H THR A 45 -5.410 -7.023 15.528 1.00 2.53 H new ATOM 0 HA THR A 45 -7.650 -7.208 13.722 1.00 50.13 H new ATOM 0 HB THR A 45 -7.631 -4.981 15.788 1.00 63.35 H new ATOM 0 HG1 THR A 45 -8.243 -6.801 16.929 1.00 41.33 H new ATOM 0 HG21 THR A 45 -9.901 -4.542 14.928 1.00 34.04 H new ATOM 0 HG22 THR A 45 -8.674 -4.415 13.644 1.00 34.04 H new ATOM 0 HG23 THR A 45 -9.705 -5.863 13.751 1.00 34.04 H new ATOM 635 N LYS A 46 -6.745 -5.151 12.480 1.00 4.30 N ATOM 636 CA LYS A 46 -6.012 -4.214 11.636 1.00 72.15 C ATOM 637 C LYS A 46 -6.866 -3.760 10.457 1.00 52.51 C ATOM 638 O LYS A 46 -7.464 -4.578 9.760 1.00 1.44 O ATOM 639 CB LYS A 46 -4.720 -4.857 11.126 1.00 31.34 C ATOM 640 CG LYS A 46 -4.938 -6.193 10.436 1.00 41.40 C ATOM 641 CD LYS A 46 -3.640 -6.971 10.307 1.00 10.23 C ATOM 642 CE LYS A 46 -3.148 -7.463 11.659 1.00 11.43 C ATOM 643 NZ LYS A 46 -2.924 -8.936 11.666 1.00 52.43 N ATOM 0 H LYS A 46 -7.648 -5.439 12.104 1.00 4.30 H new ATOM 0 HA LYS A 46 -5.763 -3.341 12.239 1.00 72.15 H new ATOM 0 HB2 LYS A 46 -4.233 -4.173 10.430 1.00 31.34 H new ATOM 0 HB3 LYS A 46 -4.038 -4.997 11.965 1.00 31.34 H new ATOM 0 HG2 LYS A 46 -5.662 -6.781 11.000 1.00 41.40 H new ATOM 0 HG3 LYS A 46 -5.364 -6.027 9.446 1.00 41.40 H new ATOM 0 HD2 LYS A 46 -3.789 -7.821 9.642 1.00 10.23 H new ATOM 0 HD3 LYS A 46 -2.879 -6.338 9.850 1.00 10.23 H new ATOM 0 HE2 LYS A 46 -2.219 -6.953 11.915 1.00 11.43 H new ATOM 0 HE3 LYS A 46 -3.876 -7.203 12.427 1.00 11.43 H new ATOM 0 HZ1 LYS A 46 -2.589 -9.232 12.605 1.00 52.43 H new ATOM 0 HZ2 LYS A 46 -3.816 -9.424 11.447 1.00 52.43 H new ATOM 0 HZ3 LYS A 46 -2.210 -9.182 10.951 1.00 52.43 H new ATOM 657 N VAL A 47 -6.917 -2.449 10.239 1.00 25.14 N ATOM 658 CA VAL A 47 -7.696 -1.886 9.142 1.00 20.14 C ATOM 659 C VAL A 47 -6.947 -2.006 7.819 1.00 63.13 C ATOM 660 O VAL A 47 -6.103 -1.171 7.493 1.00 71.44 O ATOM 661 CB VAL A 47 -8.035 -0.406 9.397 1.00 3.02 C ATOM 662 CG1 VAL A 47 -8.738 0.195 8.189 1.00 41.45 C ATOM 663 CG2 VAL A 47 -8.889 -0.262 10.647 1.00 21.32 C ATOM 0 H VAL A 47 -6.428 -1.757 10.807 1.00 25.14 H new ATOM 0 HA VAL A 47 -8.622 -2.457 9.084 1.00 20.14 H new ATOM 0 HB VAL A 47 -7.105 0.140 9.556 1.00 3.02 H new ATOM 0 HG11 VAL A 47 -8.970 1.241 8.387 1.00 41.45 H new ATOM 0 HG12 VAL A 47 -8.087 0.126 7.318 1.00 41.45 H new ATOM 0 HG13 VAL A 47 -9.661 -0.351 7.996 1.00 41.45 H new ATOM 0 HG21 VAL A 47 -9.119 0.791 10.811 1.00 21.32 H new ATOM 0 HG22 VAL A 47 -9.817 -0.820 10.520 1.00 21.32 H new ATOM 0 HG23 VAL A 47 -8.345 -0.653 11.507 1.00 21.32 H new ATOM 673 N THR A 48 -7.264 -3.049 7.059 1.00 51.31 N ATOM 674 CA THR A 48 -6.621 -3.278 5.770 1.00 22.30 C ATOM 675 C THR A 48 -6.926 -2.147 4.795 1.00 25.12 C ATOM 676 O THR A 48 -6.051 -1.699 4.055 1.00 53.02 O ATOM 677 CB THR A 48 -7.070 -4.614 5.148 1.00 61.33 C ATOM 678 OG1 THR A 48 -6.461 -4.785 3.864 1.00 24.03 O ATOM 679 CG2 THR A 48 -8.585 -4.663 5.008 1.00 51.10 C ATOM 0 H THR A 48 -7.962 -3.749 7.313 1.00 51.31 H new ATOM 0 HA THR A 48 -5.547 -3.315 5.954 1.00 22.30 H new ATOM 0 HB THR A 48 -6.756 -5.422 5.809 1.00 61.33 H new ATOM 0 HG1 THR A 48 -6.750 -5.637 3.476 1.00 24.03 H new ATOM 0 HG21 THR A 48 -8.879 -5.615 4.567 1.00 51.10 H new ATOM 0 HG22 THR A 48 -9.045 -4.561 5.991 1.00 51.10 H new ATOM 0 HG23 THR A 48 -8.918 -3.847 4.366 1.00 51.10 H new ATOM 687 N SER A 49 -8.175 -1.690 4.799 1.00 3.34 N ATOM 688 CA SER A 49 -8.596 -0.613 3.910 1.00 64.23 C ATOM 689 C SER A 49 -9.447 0.408 4.661 1.00 4.15 C ATOM 690 O SER A 49 -10.161 0.065 5.602 1.00 24.04 O ATOM 691 CB SER A 49 -9.384 -1.177 2.726 1.00 35.44 C ATOM 692 OG SER A 49 -8.517 -1.561 1.674 1.00 13.04 O ATOM 0 H SER A 49 -8.912 -2.048 5.407 1.00 3.34 H new ATOM 0 HA SER A 49 -7.702 -0.113 3.536 1.00 64.23 H new ATOM 0 HB2 SER A 49 -9.970 -2.037 3.051 1.00 35.44 H new ATOM 0 HB3 SER A 49 -10.090 -0.429 2.365 1.00 35.44 H new ATOM 0 HG SER A 49 -9.044 -1.920 0.930 1.00 13.04 H new ATOM 698 N ALA A 50 -9.364 1.665 4.235 1.00 31.23 N ATOM 699 CA ALA A 50 -10.127 2.736 4.864 1.00 0.10 C ATOM 700 C ALA A 50 -10.676 3.703 3.822 1.00 62.12 C ATOM 701 O ALA A 50 -10.188 3.756 2.693 1.00 44.12 O ATOM 702 CB ALA A 50 -9.262 3.478 5.872 1.00 71.30 C ATOM 0 H ALA A 50 -8.776 1.966 3.457 1.00 31.23 H new ATOM 0 HA ALA A 50 -10.972 2.288 5.387 1.00 0.10 H new ATOM 0 HB1 ALA A 50 -9.844 4.275 6.334 1.00 71.30 H new ATOM 0 HB2 ALA A 50 -8.923 2.784 6.641 1.00 71.30 H new ATOM 0 HB3 ALA A 50 -8.398 3.907 5.364 1.00 71.30 H new ATOM 708 N TRP A 51 -11.693 4.466 4.208 1.00 11.20 N ATOM 709 CA TRP A 51 -12.308 5.432 3.305 1.00 21.32 C ATOM 710 C TRP A 51 -12.814 6.648 4.073 1.00 44.20 C ATOM 711 O TRP A 51 -13.329 6.522 5.183 1.00 44.15 O ATOM 712 CB TRP A 51 -13.462 4.781 2.538 1.00 54.34 C ATOM 713 CG TRP A 51 -14.439 4.071 3.425 1.00 75.14 C ATOM 714 CD1 TRP A 51 -15.344 4.644 4.272 1.00 52.03 C ATOM 715 CD2 TRP A 51 -14.607 2.656 3.555 1.00 15.35 C ATOM 716 NE1 TRP A 51 -16.064 3.670 4.920 1.00 51.23 N ATOM 717 CE2 TRP A 51 -15.631 2.441 4.496 1.00 45.10 C ATOM 718 CE3 TRP A 51 -13.992 1.547 2.964 1.00 53.13 C ATOM 719 CZ2 TRP A 51 -16.053 1.165 4.860 1.00 61.15 C ATOM 720 CZ3 TRP A 51 -14.411 0.281 3.327 1.00 41.50 C ATOM 721 CH2 TRP A 51 -15.434 0.099 4.266 1.00 73.33 C ATOM 0 H TRP A 51 -12.108 4.434 5.139 1.00 11.20 H new ATOM 0 HA TRP A 51 -11.550 5.763 2.595 1.00 21.32 H new ATOM 0 HB2 TRP A 51 -13.989 5.547 1.969 1.00 54.34 H new ATOM 0 HB3 TRP A 51 -13.055 4.072 1.817 1.00 54.34 H new ATOM 0 HD1 TRP A 51 -15.475 5.707 4.412 1.00 52.03 H new ATOM 0 HE1 TRP A 51 -16.801 3.835 5.605 1.00 51.23 H new ATOM 0 HE3 TRP A 51 -13.204 1.678 2.237 1.00 53.13 H new ATOM 0 HZ2 TRP A 51 -16.841 1.022 5.585 1.00 61.15 H new ATOM 0 HZ3 TRP A 51 -13.942 -0.582 2.879 1.00 41.50 H new ATOM 0 HH2 TRP A 51 -15.741 -0.903 4.527 1.00 73.33 H new ATOM 732 N ASP A 52 -12.665 7.825 3.473 1.00 73.54 N ATOM 733 CA ASP A 52 -13.108 9.064 4.100 1.00 71.53 C ATOM 734 C ASP A 52 -12.403 9.279 5.437 1.00 25.03 C ATOM 735 O ASP A 52 -12.878 10.033 6.286 1.00 65.23 O ATOM 736 CB ASP A 52 -14.623 9.043 4.306 1.00 62.51 C ATOM 737 CG ASP A 52 -15.334 10.096 3.479 1.00 65.23 C ATOM 738 OD1 ASP A 52 -15.198 11.295 3.800 1.00 41.12 O ATOM 739 OD2 ASP A 52 -16.026 9.720 2.510 1.00 62.54 O ATOM 0 H ASP A 52 -12.241 7.946 2.553 1.00 73.54 H new ATOM 0 HA ASP A 52 -12.851 9.890 3.437 1.00 71.53 H new ATOM 0 HB2 ASP A 52 -15.009 8.058 4.044 1.00 62.51 H new ATOM 0 HB3 ASP A 52 -14.846 9.202 5.361 1.00 62.51 H new ATOM 744 N ALA A 53 -11.269 8.610 5.617 1.00 23.11 N ATOM 745 CA ALA A 53 -10.500 8.728 6.849 1.00 53.51 C ATOM 746 C ALA A 53 -9.154 8.021 6.726 1.00 14.21 C ATOM 747 O ALA A 53 -9.085 6.792 6.718 1.00 12.04 O ATOM 748 CB ALA A 53 -11.289 8.165 8.020 1.00 21.40 C ATOM 0 H ALA A 53 -10.863 7.981 4.925 1.00 23.11 H new ATOM 0 HA ALA A 53 -10.310 9.786 7.029 1.00 53.51 H new ATOM 0 HB1 ALA A 53 -10.702 8.260 8.933 1.00 21.40 H new ATOM 0 HB2 ALA A 53 -12.222 8.718 8.129 1.00 21.40 H new ATOM 0 HB3 ALA A 53 -11.509 7.113 7.838 1.00 21.40 H new ATOM 754 N THR A 54 -8.085 8.805 6.628 1.00 73.25 N ATOM 755 CA THR A 54 -6.742 8.254 6.504 1.00 10.11 C ATOM 756 C THR A 54 -6.310 7.559 7.790 1.00 40.54 C ATOM 757 O THR A 54 -5.809 8.199 8.715 1.00 52.43 O ATOM 758 CB THR A 54 -5.715 9.349 6.155 1.00 72.44 C ATOM 759 OG1 THR A 54 -6.020 9.917 4.877 1.00 54.52 O ATOM 760 CG2 THR A 54 -4.304 8.783 6.142 1.00 11.42 C ATOM 0 H THR A 54 -8.124 9.824 6.632 1.00 73.25 H new ATOM 0 HA THR A 54 -6.774 7.525 5.694 1.00 10.11 H new ATOM 0 HB THR A 54 -5.770 10.125 6.919 1.00 72.44 H new ATOM 0 HG1 THR A 54 -5.364 10.613 4.663 1.00 54.52 H new ATOM 0 HG21 THR A 54 -3.597 9.574 5.893 1.00 11.42 H new ATOM 0 HG22 THR A 54 -4.065 8.379 7.126 1.00 11.42 H new ATOM 0 HG23 THR A 54 -4.237 7.990 5.398 1.00 11.42 H new ATOM 768 N VAL A 55 -6.508 6.247 7.843 1.00 31.24 N ATOM 769 CA VAL A 55 -6.137 5.464 9.016 1.00 64.42 C ATOM 770 C VAL A 55 -4.661 5.084 8.980 1.00 60.11 C ATOM 771 O VAL A 55 -4.119 4.754 7.924 1.00 61.15 O ATOM 772 CB VAL A 55 -6.984 4.183 9.127 1.00 32.34 C ATOM 773 CG1 VAL A 55 -6.755 3.506 10.470 1.00 32.44 C ATOM 774 CG2 VAL A 55 -8.457 4.499 8.924 1.00 30.54 C ATOM 0 H VAL A 55 -6.924 5.703 7.087 1.00 31.24 H new ATOM 0 HA VAL A 55 -6.326 6.091 9.887 1.00 64.42 H new ATOM 0 HB VAL A 55 -6.673 3.494 8.342 1.00 32.34 H new ATOM 0 HG11 VAL A 55 -7.362 2.603 10.530 1.00 32.44 H new ATOM 0 HG12 VAL A 55 -5.702 3.243 10.570 1.00 32.44 H new ATOM 0 HG13 VAL A 55 -7.037 4.187 11.273 1.00 32.44 H new ATOM 0 HG21 VAL A 55 -9.040 3.582 9.006 1.00 30.54 H new ATOM 0 HG22 VAL A 55 -8.785 5.207 9.685 1.00 30.54 H new ATOM 0 HG23 VAL A 55 -8.603 4.935 7.936 1.00 30.54 H new ATOM 784 N THR A 56 -4.014 5.132 10.140 1.00 60.23 N ATOM 785 CA THR A 56 -2.601 4.794 10.242 1.00 33.35 C ATOM 786 C THR A 56 -2.353 3.795 11.367 1.00 31.13 C ATOM 787 O THR A 56 -2.974 3.874 12.427 1.00 10.44 O ATOM 788 CB THR A 56 -1.738 6.046 10.485 1.00 4.32 C ATOM 789 OG1 THR A 56 -1.756 6.886 9.324 1.00 35.25 O ATOM 790 CG2 THR A 56 -0.305 5.662 10.817 1.00 34.25 C ATOM 0 H THR A 56 -4.447 5.402 11.023 1.00 60.23 H new ATOM 0 HA THR A 56 -2.316 4.345 9.291 1.00 33.35 H new ATOM 0 HB THR A 56 -2.156 6.588 11.333 1.00 4.32 H new ATOM 0 HG1 THR A 56 -1.206 7.681 9.487 1.00 35.25 H new ATOM 0 HG21 THR A 56 0.284 6.564 10.984 1.00 34.25 H new ATOM 0 HG22 THR A 56 -0.292 5.048 11.718 1.00 34.25 H new ATOM 0 HG23 THR A 56 0.122 5.098 9.988 1.00 34.25 H new ATOM 798 N ASN A 57 -1.443 2.856 11.130 1.00 50.20 N ATOM 799 CA ASN A 57 -1.114 1.842 12.125 1.00 32.32 C ATOM 800 C ASN A 57 0.276 2.081 12.707 1.00 52.44 C ATOM 801 O ASN A 57 1.122 2.720 12.080 1.00 64.24 O ATOM 802 CB ASN A 57 -1.184 0.446 11.503 1.00 3.43 C ATOM 803 CG ASN A 57 0.108 0.055 10.811 1.00 64.14 C ATOM 804 OD1 ASN A 57 0.625 0.795 9.973 1.00 24.41 O ATOM 805 ND2 ASN A 57 0.634 -1.113 11.160 1.00 11.43 N ATOM 0 H ASN A 57 -0.920 2.776 10.258 1.00 50.20 H new ATOM 0 HA ASN A 57 -1.844 1.911 12.932 1.00 32.32 H new ATOM 0 HB2 ASN A 57 -1.412 -0.284 12.280 1.00 3.43 H new ATOM 0 HB3 ASN A 57 -2.003 0.412 10.784 1.00 3.43 H new ATOM 0 HD21 ASN A 57 1.502 -1.431 10.729 1.00 11.43 H new ATOM 0 HD22 ASN A 57 0.170 -1.693 11.859 1.00 11.43 H new ATOM 812 N SER A 58 0.506 1.565 13.910 1.00 64.11 N ATOM 813 CA SER A 58 1.791 1.724 14.579 1.00 44.45 C ATOM 814 C SER A 58 1.954 0.697 15.694 1.00 55.54 C ATOM 815 O SER A 58 1.653 0.970 16.855 1.00 53.11 O ATOM 816 CB SER A 58 1.921 3.139 15.149 1.00 20.44 C ATOM 817 OG SER A 58 2.560 4.004 14.227 1.00 30.32 O ATOM 0 H SER A 58 -0.182 1.032 14.442 1.00 64.11 H new ATOM 0 HA SER A 58 2.579 1.562 13.843 1.00 44.45 H new ATOM 0 HB2 SER A 58 0.932 3.528 15.393 1.00 20.44 H new ATOM 0 HB3 SER A 58 2.490 3.109 16.078 1.00 20.44 H new ATOM 0 HG SER A 58 2.242 3.809 13.321 1.00 30.32 H new ATOM 823 N GLY A 59 2.437 -0.488 15.332 1.00 25.44 N ATOM 824 CA GLY A 59 2.632 -1.541 16.312 1.00 44.22 C ATOM 825 C GLY A 59 1.323 -2.102 16.831 1.00 43.31 C ATOM 826 O GLY A 59 0.762 -3.028 16.245 1.00 65.42 O ATOM 0 H GLY A 59 2.697 -0.737 14.378 1.00 25.44 H new ATOM 0 HA2 GLY A 59 3.216 -2.345 15.865 1.00 44.22 H new ATOM 0 HA3 GLY A 59 3.213 -1.152 17.148 1.00 44.22 H new ATOM 830 N ASP A 60 0.836 -1.540 17.932 1.00 11.14 N ATOM 831 CA ASP A 60 -0.416 -1.991 18.530 1.00 51.42 C ATOM 832 C ASP A 60 -1.380 -0.822 18.717 1.00 31.24 C ATOM 833 O ASP A 60 -2.336 -0.911 19.488 1.00 3.42 O ATOM 834 CB ASP A 60 -0.149 -2.668 19.875 1.00 11.02 C ATOM 835 CG ASP A 60 0.037 -1.668 21.000 1.00 24.25 C ATOM 836 OD1 ASP A 60 0.986 -0.861 20.926 1.00 75.23 O ATOM 837 OD2 ASP A 60 -0.769 -1.693 21.953 1.00 24.32 O ATOM 0 H ASP A 60 1.288 -0.772 18.428 1.00 11.14 H new ATOM 0 HA ASP A 60 -0.874 -2.713 17.854 1.00 51.42 H new ATOM 0 HB2 ASP A 60 -0.980 -3.331 20.116 1.00 11.02 H new ATOM 0 HB3 ASP A 60 0.742 -3.290 19.795 1.00 11.02 H new ATOM 842 N HIS A 61 -1.121 0.271 18.007 1.00 11.32 N ATOM 843 CA HIS A 61 -1.966 1.457 18.095 1.00 54.42 C ATOM 844 C HIS A 61 -2.340 1.961 16.704 1.00 72.14 C ATOM 845 O HIS A 61 -1.552 1.861 15.764 1.00 72.42 O ATOM 846 CB HIS A 61 -1.251 2.560 18.876 1.00 45.50 C ATOM 847 CG HIS A 61 -1.968 3.875 18.847 1.00 1.31 C ATOM 848 ND1 HIS A 61 -2.709 4.351 19.907 1.00 50.42 N ATOM 849 CD2 HIS A 61 -2.053 4.816 17.877 1.00 24.11 C ATOM 850 CE1 HIS A 61 -3.220 5.528 19.590 1.00 62.55 C ATOM 851 NE2 HIS A 61 -2.837 5.833 18.364 1.00 63.11 N ATOM 0 H HIS A 61 -0.334 0.360 17.365 1.00 11.32 H new ATOM 0 HA HIS A 61 -2.881 1.185 18.621 1.00 54.42 H new ATOM 0 HB2 HIS A 61 -1.133 2.242 19.912 1.00 45.50 H new ATOM 0 HB3 HIS A 61 -0.249 2.692 18.467 1.00 45.50 H new ATOM 0 HD2 HIS A 61 -1.590 4.774 16.902 1.00 24.11 H new ATOM 0 HE1 HIS A 61 -3.845 6.137 20.226 1.00 62.55 H new ATOM 0 HE2 HIS A 61 -3.083 6.685 17.860 1.00 63.11 H new ATOM 859 N TRP A 62 -3.547 2.504 16.583 1.00 34.45 N ATOM 860 CA TRP A 62 -4.026 3.022 15.307 1.00 25.13 C ATOM 861 C TRP A 62 -4.608 4.421 15.473 1.00 64.22 C ATOM 862 O TRP A 62 -4.958 4.832 16.580 1.00 3.21 O ATOM 863 CB TRP A 62 -5.080 2.085 14.715 1.00 34.33 C ATOM 864 CG TRP A 62 -4.524 0.760 14.289 1.00 13.43 C ATOM 865 CD1 TRP A 62 -4.011 -0.212 15.099 1.00 74.10 C ATOM 866 CD2 TRP A 62 -4.425 0.262 12.951 1.00 13.33 C ATOM 867 NE1 TRP A 62 -3.597 -1.283 14.345 1.00 21.45 N ATOM 868 CE2 TRP A 62 -3.841 -1.018 13.024 1.00 25.35 C ATOM 869 CE3 TRP A 62 -4.773 0.773 11.697 1.00 31.14 C ATOM 870 CZ2 TRP A 62 -3.599 -1.791 11.892 1.00 3.13 C ATOM 871 CZ3 TRP A 62 -4.531 0.004 10.574 1.00 62.52 C ATOM 872 CH2 TRP A 62 -3.949 -1.267 10.678 1.00 5.42 C ATOM 0 H TRP A 62 -4.210 2.597 17.352 1.00 34.45 H new ATOM 0 HA TRP A 62 -3.178 3.079 14.625 1.00 25.13 H new ATOM 0 HB2 TRP A 62 -5.866 1.921 15.453 1.00 34.33 H new ATOM 0 HB3 TRP A 62 -5.545 2.569 13.856 1.00 34.33 H new ATOM 0 HD1 TRP A 62 -3.941 -0.148 16.175 1.00 74.10 H new ATOM 0 HE1 TRP A 62 -3.176 -2.137 14.710 1.00 21.45 H new ATOM 0 HE3 TRP A 62 -5.223 1.751 11.607 1.00 31.14 H new ATOM 0 HZ2 TRP A 62 -3.150 -2.770 11.970 1.00 3.13 H new ATOM 0 HZ3 TRP A 62 -4.795 0.389 9.600 1.00 62.52 H new ATOM 0 HH2 TRP A 62 -3.774 -1.844 9.782 1.00 5.42 H new ATOM 883 N THR A 63 -4.709 5.151 14.366 1.00 24.52 N ATOM 884 CA THR A 63 -5.249 6.505 14.390 1.00 20.24 C ATOM 885 C THR A 63 -5.957 6.837 13.081 1.00 62.13 C ATOM 886 O THR A 63 -5.586 6.340 12.019 1.00 35.21 O ATOM 887 CB THR A 63 -4.141 7.547 14.639 1.00 30.53 C ATOM 888 OG1 THR A 63 -4.724 8.819 14.940 1.00 5.43 O ATOM 889 CG2 THR A 63 -3.234 7.672 13.425 1.00 54.11 C ATOM 0 H THR A 63 -4.424 4.827 13.442 1.00 24.52 H new ATOM 0 HA THR A 63 -5.967 6.545 15.209 1.00 20.24 H new ATOM 0 HB THR A 63 -3.542 7.214 15.487 1.00 30.53 H new ATOM 0 HG1 THR A 63 -4.014 9.475 15.099 1.00 5.43 H new ATOM 0 HG21 THR A 63 -2.460 8.413 13.624 1.00 54.11 H new ATOM 0 HG22 THR A 63 -2.769 6.708 13.217 1.00 54.11 H new ATOM 0 HG23 THR A 63 -3.822 7.985 12.562 1.00 54.11 H new ATOM 897 N ALA A 64 -6.980 7.682 13.166 1.00 35.14 N ATOM 898 CA ALA A 64 -7.739 8.083 11.988 1.00 11.02 C ATOM 899 C ALA A 64 -7.825 9.602 11.880 1.00 75.15 C ATOM 900 O ALA A 64 -8.210 10.281 12.832 1.00 64.44 O ATOM 901 CB ALA A 64 -9.133 7.475 12.027 1.00 4.24 C ATOM 0 H ALA A 64 -7.302 8.102 14.038 1.00 35.14 H new ATOM 0 HA ALA A 64 -7.217 7.712 11.106 1.00 11.02 H new ATOM 0 HB1 ALA A 64 -9.689 7.783 11.141 1.00 4.24 H new ATOM 0 HB2 ALA A 64 -9.055 6.388 12.047 1.00 4.24 H new ATOM 0 HB3 ALA A 64 -9.655 7.818 12.920 1.00 4.24 H new ATOM 907 N LYS A 65 -7.461 10.130 10.717 1.00 33.23 N ATOM 908 CA LYS A 65 -7.497 11.568 10.484 1.00 0.01 C ATOM 909 C LYS A 65 -8.072 11.882 9.106 1.00 50.13 C ATOM 910 O LYS A 65 -8.037 11.047 8.204 1.00 21.43 O ATOM 911 CB LYS A 65 -6.091 12.161 10.609 1.00 21.13 C ATOM 912 CG LYS A 65 -5.272 11.551 11.733 1.00 24.21 C ATOM 913 CD LYS A 65 -4.477 10.349 11.254 1.00 74.40 C ATOM 914 CE LYS A 65 -3.041 10.394 11.755 1.00 51.32 C ATOM 915 NZ LYS A 65 -2.254 11.467 11.086 1.00 53.33 N ATOM 0 H LYS A 65 -7.137 9.582 9.920 1.00 33.23 H new ATOM 0 HA LYS A 65 -8.143 12.017 11.239 1.00 0.01 H new ATOM 0 HB2 LYS A 65 -5.561 12.020 9.667 1.00 21.13 H new ATOM 0 HB3 LYS A 65 -6.172 13.236 10.772 1.00 21.13 H new ATOM 0 HG2 LYS A 65 -4.592 12.301 12.137 1.00 24.21 H new ATOM 0 HG3 LYS A 65 -5.934 11.250 12.545 1.00 24.21 H new ATOM 0 HD2 LYS A 65 -4.956 9.433 11.601 1.00 74.40 H new ATOM 0 HD3 LYS A 65 -4.482 10.319 10.164 1.00 74.40 H new ATOM 0 HE2 LYS A 65 -3.037 10.559 12.832 1.00 51.32 H new ATOM 0 HE3 LYS A 65 -2.564 9.430 11.578 1.00 51.32 H new ATOM 0 HZ1 LYS A 65 -1.240 11.310 11.255 1.00 53.33 H new ATOM 0 HZ2 LYS A 65 -2.442 11.449 10.063 1.00 53.33 H new ATOM 0 HZ3 LYS A 65 -2.530 12.392 11.472 1.00 53.33 H new ATOM 929 N ASN A 66 -8.599 13.093 8.952 1.00 74.00 N ATOM 930 CA ASN A 66 -9.179 13.518 7.684 1.00 23.15 C ATOM 931 C ASN A 66 -8.652 14.889 7.275 1.00 30.02 C ATOM 932 O ASN A 66 -8.213 15.085 6.141 1.00 65.21 O ATOM 933 CB ASN A 66 -10.705 13.556 7.786 1.00 23.45 C ATOM 934 CG ASN A 66 -11.368 13.832 6.449 1.00 54.11 C ATOM 935 OD1 ASN A 66 -11.955 14.895 6.243 1.00 33.04 O ATOM 936 ND2 ASN A 66 -11.277 12.873 5.535 1.00 24.42 N ATOM 0 H ASN A 66 -8.636 13.796 9.690 1.00 74.00 H new ATOM 0 HA ASN A 66 -8.889 12.796 6.921 1.00 23.15 H new ATOM 0 HB2 ASN A 66 -11.064 12.604 8.177 1.00 23.45 H new ATOM 0 HB3 ASN A 66 -11.000 14.325 8.500 1.00 23.45 H new ATOM 0 HD21 ASN A 66 -11.704 13.001 4.617 1.00 24.42 H new ATOM 0 HD22 ASN A 66 -10.780 12.008 5.751 1.00 24.42 H new ATOM 943 N VAL A 67 -8.696 15.837 8.207 1.00 33.54 N ATOM 944 CA VAL A 67 -8.221 17.189 7.945 1.00 55.13 C ATOM 945 C VAL A 67 -6.894 17.452 8.649 1.00 32.52 C ATOM 946 O VAL A 67 -6.657 18.545 9.161 1.00 55.44 O ATOM 947 CB VAL A 67 -9.248 18.243 8.400 1.00 52.12 C ATOM 948 CG1 VAL A 67 -9.384 19.342 7.357 1.00 21.55 C ATOM 949 CG2 VAL A 67 -10.594 17.590 8.677 1.00 31.44 C ATOM 0 H VAL A 67 -9.056 15.692 9.150 1.00 33.54 H new ATOM 0 HA VAL A 67 -8.080 17.271 6.867 1.00 55.13 H new ATOM 0 HB VAL A 67 -8.892 18.696 9.325 1.00 52.12 H new ATOM 0 HG11 VAL A 67 -10.114 20.077 7.696 1.00 21.55 H new ATOM 0 HG12 VAL A 67 -8.419 19.828 7.213 1.00 21.55 H new ATOM 0 HG13 VAL A 67 -9.717 18.909 6.414 1.00 21.55 H new ATOM 0 HG21 VAL A 67 -11.308 18.349 8.997 1.00 31.44 H new ATOM 0 HG22 VAL A 67 -10.959 17.109 7.769 1.00 31.44 H new ATOM 0 HG23 VAL A 67 -10.481 16.843 9.463 1.00 31.44 H new ATOM 959 N GLY A 68 -6.032 16.440 8.672 1.00 32.24 N ATOM 960 CA GLY A 68 -4.739 16.581 9.316 1.00 2.30 C ATOM 961 C GLY A 68 -3.727 17.287 8.435 1.00 1.40 C ATOM 962 O GLY A 68 -2.572 17.463 8.824 1.00 2.24 O ATOM 0 H GLY A 68 -6.206 15.525 8.256 1.00 32.24 H new ATOM 0 HA2 GLY A 68 -4.858 17.138 10.245 1.00 2.30 H new ATOM 0 HA3 GLY A 68 -4.359 15.594 9.582 1.00 2.30 H new ATOM 966 N TRP A 69 -4.160 17.691 7.246 1.00 32.43 N ATOM 967 CA TRP A 69 -3.281 18.380 6.307 1.00 23.24 C ATOM 968 C TRP A 69 -3.775 19.798 6.040 1.00 74.42 C ATOM 969 O TRP A 69 -2.995 20.678 5.681 1.00 53.41 O ATOM 970 CB TRP A 69 -3.195 17.601 4.992 1.00 62.55 C ATOM 971 CG TRP A 69 -4.445 16.839 4.670 1.00 43.35 C ATOM 972 CD1 TRP A 69 -4.747 15.562 5.050 1.00 45.33 C ATOM 973 CD2 TRP A 69 -5.558 17.306 3.902 1.00 44.51 C ATOM 974 NE1 TRP A 69 -5.982 15.208 4.562 1.00 61.51 N ATOM 975 CE2 TRP A 69 -6.501 16.260 3.855 1.00 14.10 C ATOM 976 CE3 TRP A 69 -5.853 18.506 3.249 1.00 40.22 C ATOM 977 CZ2 TRP A 69 -7.713 16.380 3.182 1.00 31.11 C ATOM 978 CZ3 TRP A 69 -7.056 18.624 2.581 1.00 3.03 C ATOM 979 CH2 TRP A 69 -7.976 17.566 2.552 1.00 15.41 C ATOM 0 H TRP A 69 -5.113 17.554 6.909 1.00 32.43 H new ATOM 0 HA TRP A 69 -2.288 18.439 6.753 1.00 23.24 H new ATOM 0 HB2 TRP A 69 -2.982 18.296 4.180 1.00 62.55 H new ATOM 0 HB3 TRP A 69 -2.357 16.906 5.044 1.00 62.55 H new ATOM 0 HD1 TRP A 69 -4.110 14.925 5.646 1.00 45.33 H new ATOM 0 HE1 TRP A 69 -6.439 14.307 4.704 1.00 61.51 H new ATOM 0 HE3 TRP A 69 -5.152 19.327 3.266 1.00 40.22 H new ATOM 0 HZ2 TRP A 69 -8.422 15.565 3.158 1.00 31.11 H new ATOM 0 HZ3 TRP A 69 -7.292 19.547 2.072 1.00 3.03 H new ATOM 0 HH2 TRP A 69 -8.909 17.689 2.023 1.00 15.41 H new ATOM 990 N ASN A 70 -5.075 20.011 6.220 1.00 14.31 N ATOM 991 CA ASN A 70 -5.671 21.323 5.998 1.00 24.32 C ATOM 992 C ASN A 70 -6.127 21.943 7.315 1.00 74.35 C ATOM 993 O ASN A 70 -6.003 23.150 7.521 1.00 72.12 O ATOM 994 CB ASN A 70 -6.857 21.211 5.038 1.00 4.34 C ATOM 995 CG ASN A 70 -6.612 21.940 3.730 1.00 31.02 C ATOM 996 OD1 ASN A 70 -7.487 22.645 3.227 1.00 5.14 O ATOM 997 ND2 ASN A 70 -5.418 21.772 3.174 1.00 60.23 N ATOM 0 H ASN A 70 -5.735 19.293 6.519 1.00 14.31 H new ATOM 0 HA ASN A 70 -4.913 21.969 5.556 1.00 24.32 H new ATOM 0 HB2 ASN A 70 -7.057 20.159 4.833 1.00 4.34 H new ATOM 0 HB3 ASN A 70 -7.748 21.618 5.516 1.00 4.34 H new ATOM 0 HD21 ASN A 70 -5.195 22.237 2.294 1.00 60.23 H new ATOM 0 HD22 ASN A 70 -4.723 21.178 3.627 1.00 60.23 H new ATOM 1004 N GLY A 71 -6.654 21.108 8.206 1.00 11.21 N ATOM 1005 CA GLY A 71 -7.118 21.592 9.493 1.00 23.51 C ATOM 1006 C GLY A 71 -8.023 22.801 9.365 1.00 43.43 C ATOM 1007 O GLY A 71 -7.769 23.844 9.969 1.00 53.42 O ATOM 0 H GLY A 71 -6.768 20.105 8.059 1.00 11.21 H new ATOM 0 HA2 GLY A 71 -7.654 20.794 10.006 1.00 23.51 H new ATOM 0 HA3 GLY A 71 -6.259 21.849 10.112 1.00 23.51 H new ATOM 1011 N THR A 72 -9.083 22.665 8.574 1.00 41.02 N ATOM 1012 CA THR A 72 -10.026 23.756 8.366 1.00 45.40 C ATOM 1013 C THR A 72 -11.462 23.243 8.332 1.00 54.43 C ATOM 1014 O THR A 72 -11.941 22.778 7.297 1.00 41.42 O ATOM 1015 CB THR A 72 -9.732 24.511 7.056 1.00 1.32 C ATOM 1016 OG1 THR A 72 -8.657 23.877 6.356 1.00 13.13 O ATOM 1017 CG2 THR A 72 -9.375 25.963 7.337 1.00 53.24 C ATOM 0 H THR A 72 -9.310 21.809 8.067 1.00 41.02 H new ATOM 0 HA THR A 72 -9.907 24.441 9.206 1.00 45.40 H new ATOM 0 HB THR A 72 -10.630 24.487 6.439 1.00 1.32 H new ATOM 0 HG1 THR A 72 -8.477 24.362 5.524 1.00 13.13 H new ATOM 0 HG21 THR A 72 -9.171 26.476 6.397 1.00 53.24 H new ATOM 0 HG22 THR A 72 -10.208 26.451 7.844 1.00 53.24 H new ATOM 0 HG23 THR A 72 -8.490 26.004 7.972 1.00 53.24 H new ATOM 1025 N LEU A 73 -12.143 23.330 9.469 1.00 41.50 N ATOM 1026 CA LEU A 73 -13.526 22.875 9.569 1.00 35.03 C ATOM 1027 C LEU A 73 -14.361 23.848 10.393 1.00 64.53 C ATOM 1028 O LEU A 73 -13.825 24.644 11.163 1.00 53.14 O ATOM 1029 CB LEU A 73 -13.579 21.480 10.195 1.00 63.55 C ATOM 1030 CG LEU A 73 -14.879 20.702 9.989 1.00 13.15 C ATOM 1031 CD1 LEU A 73 -14.582 19.254 9.628 1.00 12.23 C ATOM 1032 CD2 LEU A 73 -15.749 20.774 11.236 1.00 3.23 C ATOM 0 H LEU A 73 -11.761 23.711 10.334 1.00 41.50 H new ATOM 0 HA LEU A 73 -13.943 22.831 8.563 1.00 35.03 H new ATOM 0 HB2 LEU A 73 -12.757 20.890 9.789 1.00 63.55 H new ATOM 0 HB3 LEU A 73 -13.403 21.577 11.266 1.00 63.55 H new ATOM 0 HG LEU A 73 -15.425 21.158 9.163 1.00 13.15 H new ATOM 0 HD11 LEU A 73 -15.519 18.715 9.485 1.00 12.23 H new ATOM 0 HD12 LEU A 73 -14.000 19.221 8.707 1.00 12.23 H new ATOM 0 HD13 LEU A 73 -14.014 18.787 10.433 1.00 12.23 H new ATOM 0 HD21 LEU A 73 -16.670 20.215 11.070 1.00 3.23 H new ATOM 0 HD22 LEU A 73 -15.210 20.344 12.081 1.00 3.23 H new ATOM 0 HD23 LEU A 73 -15.991 21.815 11.451 1.00 3.23 H new ATOM 1044 N ALA A 74 -15.678 23.778 10.228 1.00 14.52 N ATOM 1045 CA ALA A 74 -16.588 24.649 10.960 1.00 44.11 C ATOM 1046 C ALA A 74 -16.665 24.253 12.430 1.00 4.23 C ATOM 1047 O ALA A 74 -16.314 23.137 12.816 1.00 4.41 O ATOM 1048 CB ALA A 74 -17.972 24.617 10.328 1.00 30.10 C ATOM 0 H ALA A 74 -16.138 23.126 9.593 1.00 14.52 H new ATOM 0 HA ALA A 74 -16.200 25.666 10.906 1.00 44.11 H new ATOM 0 HB1 ALA A 74 -18.642 25.272 10.885 1.00 30.10 H new ATOM 0 HB2 ALA A 74 -17.908 24.957 9.295 1.00 30.10 H new ATOM 0 HB3 ALA A 74 -18.359 23.598 10.351 1.00 30.10 H new ATOM 1054 N PRO A 75 -17.135 25.186 13.271 1.00 24.44 N ATOM 1055 CA PRO A 75 -17.269 24.955 14.713 1.00 65.24 C ATOM 1056 C PRO A 75 -18.377 23.961 15.040 1.00 25.20 C ATOM 1057 O PRO A 75 -18.393 23.365 16.116 1.00 72.25 O ATOM 1058 CB PRO A 75 -17.614 26.342 15.263 1.00 4.25 C ATOM 1059 CG PRO A 75 -18.249 27.055 14.119 1.00 74.23 C ATOM 1060 CD PRO A 75 -17.572 26.536 12.880 1.00 65.51 C ATOM 0 HA PRO A 75 -16.365 24.524 15.143 1.00 65.24 H new ATOM 0 HB2 PRO A 75 -18.293 26.273 16.113 1.00 4.25 H new ATOM 0 HB3 PRO A 75 -16.722 26.864 15.609 1.00 4.25 H new ATOM 0 HG2 PRO A 75 -19.322 26.864 14.087 1.00 74.23 H new ATOM 0 HG3 PRO A 75 -18.120 28.133 14.211 1.00 74.23 H new ATOM 0 HD2 PRO A 75 -18.255 26.507 12.031 1.00 65.51 H new ATOM 0 HD3 PRO A 75 -16.729 27.163 12.590 1.00 65.51 H new ATOM 1068 N GLY A 76 -19.306 23.786 14.104 1.00 14.11 N ATOM 1069 CA GLY A 76 -20.406 22.862 14.313 1.00 75.05 C ATOM 1070 C GLY A 76 -20.679 22.002 13.096 1.00 10.33 C ATOM 1071 O GLY A 76 -21.044 22.510 12.037 1.00 43.32 O ATOM 0 H GLY A 76 -19.316 24.268 13.205 1.00 14.11 H new ATOM 0 HA2 GLY A 76 -20.181 22.220 15.165 1.00 75.05 H new ATOM 0 HA3 GLY A 76 -21.305 23.424 14.566 1.00 75.05 H new ATOM 1075 N ALA A 77 -20.501 20.693 13.246 1.00 52.23 N ATOM 1076 CA ALA A 77 -20.731 19.760 12.150 1.00 54.22 C ATOM 1077 C ALA A 77 -20.493 18.321 12.595 1.00 43.00 C ATOM 1078 O ALA A 77 -20.017 18.075 13.702 1.00 31.51 O ATOM 1079 CB ALA A 77 -19.836 20.103 10.968 1.00 52.21 C ATOM 0 H ALA A 77 -20.198 20.255 14.116 1.00 52.23 H new ATOM 0 HA ALA A 77 -21.773 19.850 11.842 1.00 54.22 H new ATOM 0 HB1 ALA A 77 -20.018 19.398 10.157 1.00 52.21 H new ATOM 0 HB2 ALA A 77 -20.056 21.114 10.626 1.00 52.21 H new ATOM 0 HB3 ALA A 77 -18.791 20.043 11.273 1.00 52.21 H new ATOM 1085 N SER A 78 -20.831 17.375 11.725 1.00 14.05 N ATOM 1086 CA SER A 78 -20.658 15.959 12.030 1.00 70.43 C ATOM 1087 C SER A 78 -20.113 15.205 10.823 1.00 15.35 C ATOM 1088 O SER A 78 -20.618 15.345 9.708 1.00 52.14 O ATOM 1089 CB SER A 78 -21.988 15.345 12.472 1.00 1.41 C ATOM 1090 OG SER A 78 -21.924 13.929 12.467 1.00 1.52 O ATOM 0 H SER A 78 -21.226 17.563 10.804 1.00 14.05 H new ATOM 0 HA SER A 78 -19.938 15.874 12.844 1.00 70.43 H new ATOM 0 HB2 SER A 78 -22.240 15.697 13.472 1.00 1.41 H new ATOM 0 HB3 SER A 78 -22.785 15.678 11.807 1.00 1.41 H new ATOM 0 HG SER A 78 -22.786 13.562 12.755 1.00 1.52 H new ATOM 1096 N VAL A 79 -19.078 14.402 11.050 1.00 74.24 N ATOM 1097 CA VAL A 79 -18.463 13.623 9.982 1.00 62.25 C ATOM 1098 C VAL A 79 -18.180 12.196 10.436 1.00 14.34 C ATOM 1099 O VAL A 79 -17.354 11.966 11.319 1.00 44.33 O ATOM 1100 CB VAL A 79 -17.150 14.269 9.503 1.00 11.15 C ATOM 1101 CG1 VAL A 79 -16.508 13.425 8.412 1.00 30.03 C ATOM 1102 CG2 VAL A 79 -17.400 15.687 9.013 1.00 22.33 C ATOM 0 H VAL A 79 -18.647 14.274 11.966 1.00 74.24 H new ATOM 0 HA VAL A 79 -19.172 13.603 9.155 1.00 62.25 H new ATOM 0 HB VAL A 79 -16.461 14.318 10.346 1.00 11.15 H new ATOM 0 HG11 VAL A 79 -15.581 13.896 8.085 1.00 30.03 H new ATOM 0 HG12 VAL A 79 -16.291 12.430 8.802 1.00 30.03 H new ATOM 0 HG13 VAL A 79 -17.191 13.343 7.566 1.00 30.03 H new ATOM 0 HG21 VAL A 79 -16.461 16.127 8.679 1.00 22.33 H new ATOM 0 HG22 VAL A 79 -18.107 15.666 8.183 1.00 22.33 H new ATOM 0 HG23 VAL A 79 -17.812 16.285 9.826 1.00 22.33 H new ATOM 1112 N SER A 80 -18.870 11.239 9.824 1.00 10.15 N ATOM 1113 CA SER A 80 -18.695 9.832 10.167 1.00 22.12 C ATOM 1114 C SER A 80 -17.852 9.118 9.116 1.00 13.33 C ATOM 1115 O SER A 80 -18.161 9.154 7.925 1.00 34.11 O ATOM 1116 CB SER A 80 -20.056 9.144 10.299 1.00 54.33 C ATOM 1117 OG SER A 80 -19.981 8.029 11.169 1.00 1.20 O ATOM 0 H SER A 80 -19.555 11.412 9.088 1.00 10.15 H new ATOM 0 HA SER A 80 -18.175 9.779 11.123 1.00 22.12 H new ATOM 0 HB2 SER A 80 -20.791 9.855 10.676 1.00 54.33 H new ATOM 0 HB3 SER A 80 -20.400 8.820 9.317 1.00 54.33 H new ATOM 0 HG SER A 80 -19.041 7.799 11.326 1.00 1.20 H new ATOM 1123 N PHE A 81 -16.783 8.469 9.566 1.00 34.23 N ATOM 1124 CA PHE A 81 -15.892 7.746 8.665 1.00 71.01 C ATOM 1125 C PHE A 81 -15.938 6.246 8.943 1.00 0.52 C ATOM 1126 O PHE A 81 -16.225 5.818 10.060 1.00 3.41 O ATOM 1127 CB PHE A 81 -14.458 8.259 8.812 1.00 11.42 C ATOM 1128 CG PHE A 81 -13.785 7.803 10.075 1.00 72.31 C ATOM 1129 CD1 PHE A 81 -13.110 6.594 10.120 1.00 2.21 C ATOM 1130 CD2 PHE A 81 -13.827 8.585 11.218 1.00 31.50 C ATOM 1131 CE1 PHE A 81 -12.489 6.172 11.280 1.00 31.33 C ATOM 1132 CE2 PHE A 81 -13.207 8.168 12.382 1.00 44.54 C ATOM 1133 CZ PHE A 81 -12.539 6.960 12.413 1.00 4.00 C ATOM 0 H PHE A 81 -16.513 8.429 10.549 1.00 34.23 H new ATOM 0 HA PHE A 81 -16.230 7.919 7.643 1.00 71.01 H new ATOM 0 HB2 PHE A 81 -13.872 7.925 7.956 1.00 11.42 H new ATOM 0 HB3 PHE A 81 -14.466 9.349 8.787 1.00 11.42 H new ATOM 0 HD1 PHE A 81 -13.069 5.973 9.237 1.00 2.21 H new ATOM 0 HD2 PHE A 81 -14.349 9.530 11.200 1.00 31.50 H new ATOM 0 HE1 PHE A 81 -11.965 5.228 11.301 1.00 31.33 H new ATOM 0 HE2 PHE A 81 -13.245 8.787 13.266 1.00 44.54 H new ATOM 0 HZ PHE A 81 -12.056 6.632 13.322 1.00 4.00 H new ATOM 1143 N GLY A 82 -15.655 5.452 7.914 1.00 32.25 N ATOM 1144 CA GLY A 82 -15.670 4.008 8.067 1.00 0.33 C ATOM 1145 C GLY A 82 -14.486 3.342 7.394 1.00 55.03 C ATOM 1146 O GLY A 82 -13.768 3.972 6.618 1.00 33.24 O ATOM 0 H GLY A 82 -15.416 5.782 6.979 1.00 32.25 H new ATOM 0 HA2 GLY A 82 -15.669 3.758 9.128 1.00 0.33 H new ATOM 0 HA3 GLY A 82 -16.594 3.611 7.647 1.00 0.33 H new ATOM 1150 N PHE A 83 -14.279 2.063 7.695 1.00 43.14 N ATOM 1151 CA PHE A 83 -13.172 1.311 7.117 1.00 43.43 C ATOM 1152 C PHE A 83 -13.420 -0.190 7.221 1.00 45.43 C ATOM 1153 O PHE A 83 -14.477 -0.625 7.677 1.00 54.15 O ATOM 1154 CB PHE A 83 -11.861 1.673 7.819 1.00 51.12 C ATOM 1155 CG PHE A 83 -11.908 1.487 9.309 1.00 14.31 C ATOM 1156 CD1 PHE A 83 -11.963 0.216 9.860 1.00 52.31 C ATOM 1157 CD2 PHE A 83 -11.896 2.581 10.158 1.00 5.11 C ATOM 1158 CE1 PHE A 83 -12.006 0.042 11.230 1.00 14.14 C ATOM 1159 CE2 PHE A 83 -11.938 2.413 11.529 1.00 13.14 C ATOM 1160 CZ PHE A 83 -11.994 1.142 12.066 1.00 31.14 C ATOM 0 H PHE A 83 -14.864 1.527 8.336 1.00 43.14 H new ATOM 0 HA PHE A 83 -13.097 1.576 6.062 1.00 43.43 H new ATOM 0 HB2 PHE A 83 -11.058 1.061 7.410 1.00 51.12 H new ATOM 0 HB3 PHE A 83 -11.614 2.711 7.598 1.00 51.12 H new ATOM 0 HD1 PHE A 83 -11.972 -0.647 9.211 1.00 52.31 H new ATOM 0 HD2 PHE A 83 -11.853 3.577 9.744 1.00 5.11 H new ATOM 0 HE1 PHE A 83 -12.049 -0.953 11.647 1.00 14.14 H new ATOM 0 HE2 PHE A 83 -11.927 3.275 12.180 1.00 13.14 H new ATOM 0 HZ PHE A 83 -12.028 1.008 13.137 1.00 31.14 H new ATOM 1170 N ASN A 84 -12.439 -0.978 6.794 1.00 3.42 N ATOM 1171 CA ASN A 84 -12.551 -2.431 6.837 1.00 63.43 C ATOM 1172 C ASN A 84 -11.300 -3.055 7.447 1.00 53.51 C ATOM 1173 O ASN A 84 -10.178 -2.695 7.093 1.00 11.20 O ATOM 1174 CB ASN A 84 -12.779 -2.989 5.430 1.00 62.13 C ATOM 1175 CG ASN A 84 -14.220 -2.848 4.979 1.00 63.43 C ATOM 1176 OD1 ASN A 84 -15.128 -2.714 5.799 1.00 25.32 O ATOM 1177 ND2 ASN A 84 -14.435 -2.878 3.669 1.00 2.00 N ATOM 0 H ASN A 84 -11.557 -0.634 6.414 1.00 3.42 H new ATOM 0 HA ASN A 84 -13.406 -2.686 7.464 1.00 63.43 H new ATOM 0 HB2 ASN A 84 -12.128 -2.470 4.726 1.00 62.13 H new ATOM 0 HB3 ASN A 84 -12.496 -4.041 5.409 1.00 62.13 H new ATOM 0 HD21 ASN A 84 -15.384 -2.788 3.306 1.00 2.00 H new ATOM 0 HD22 ASN A 84 -13.651 -2.991 3.026 1.00 2.00 H new ATOM 1184 N GLY A 85 -11.501 -3.994 8.367 1.00 51.31 N ATOM 1185 CA GLY A 85 -10.380 -4.654 9.010 1.00 71.32 C ATOM 1186 C GLY A 85 -10.650 -6.120 9.285 1.00 13.14 C ATOM 1187 O GLY A 85 -11.804 -6.546 9.341 1.00 74.12 O ATOM 0 H GLY A 85 -12.420 -4.309 8.678 1.00 51.31 H new ATOM 0 HA2 GLY A 85 -9.497 -4.563 8.377 1.00 71.32 H new ATOM 0 HA3 GLY A 85 -10.153 -4.147 9.948 1.00 71.32 H new ATOM 1191 N SER A 86 -9.584 -6.895 9.452 1.00 73.44 N ATOM 1192 CA SER A 86 -9.711 -8.323 9.716 1.00 34.10 C ATOM 1193 C SER A 86 -9.536 -8.620 11.203 1.00 52.41 C ATOM 1194 O SER A 86 -8.478 -8.366 11.777 1.00 31.51 O ATOM 1195 CB SER A 86 -8.678 -9.107 8.904 1.00 75.11 C ATOM 1196 OG SER A 86 -9.281 -9.744 7.791 1.00 73.52 O ATOM 0 H SER A 86 -8.622 -6.558 9.409 1.00 73.44 H new ATOM 0 HA SER A 86 -10.712 -8.634 9.417 1.00 34.10 H new ATOM 0 HB2 SER A 86 -7.893 -8.433 8.560 1.00 75.11 H new ATOM 0 HB3 SER A 86 -8.201 -9.853 9.540 1.00 75.11 H new ATOM 0 HG SER A 86 -8.600 -10.237 7.287 1.00 73.52 H new ATOM 1202 N GLY A 87 -10.583 -9.157 11.820 1.00 60.43 N ATOM 1203 CA GLY A 87 -10.527 -9.479 13.233 1.00 73.45 C ATOM 1204 C GLY A 87 -11.894 -9.460 13.888 1.00 33.43 C ATOM 1205 O GLY A 87 -12.926 -9.530 13.220 1.00 71.53 O ATOM 0 H GLY A 87 -11.470 -9.375 11.366 1.00 60.43 H new ATOM 0 HA2 GLY A 87 -10.081 -10.465 13.360 1.00 73.45 H new ATOM 0 HA3 GLY A 87 -9.875 -8.767 13.739 1.00 73.45 H new ATOM 1209 N PRO A 88 -11.913 -9.366 15.226 1.00 35.31 N ATOM 1210 CA PRO A 88 -13.157 -9.338 16.000 1.00 63.14 C ATOM 1211 C PRO A 88 -13.935 -8.041 15.800 1.00 31.42 C ATOM 1212 O PRO A 88 -15.161 -8.051 15.701 1.00 61.43 O ATOM 1213 CB PRO A 88 -12.677 -9.455 17.448 1.00 22.41 C ATOM 1214 CG PRO A 88 -11.287 -8.918 17.431 1.00 21.55 C ATOM 1215 CD PRO A 88 -10.721 -9.280 16.086 1.00 61.32 C ATOM 0 HA PRO A 88 -13.842 -10.130 15.699 1.00 63.14 H new ATOM 0 HB2 PRO A 88 -13.314 -8.884 18.124 1.00 22.41 H new ATOM 0 HB3 PRO A 88 -12.697 -10.490 17.789 1.00 22.41 H new ATOM 0 HG2 PRO A 88 -11.284 -7.838 17.578 1.00 21.55 H new ATOM 0 HG3 PRO A 88 -10.691 -9.351 18.235 1.00 21.55 H new ATOM 0 HD2 PRO A 88 -10.021 -8.525 15.728 1.00 61.32 H new ATOM 0 HD3 PRO A 88 -10.180 -10.226 16.119 1.00 61.32 H new ATOM 1223 N GLY A 89 -13.213 -6.926 15.740 1.00 72.11 N ATOM 1224 CA GLY A 89 -13.853 -5.638 15.552 1.00 61.33 C ATOM 1225 C GLY A 89 -14.251 -4.991 16.864 1.00 1.41 C ATOM 1226 O GLY A 89 -15.189 -4.195 16.912 1.00 50.03 O ATOM 0 H GLY A 89 -12.197 -6.892 15.818 1.00 72.11 H new ATOM 0 HA2 GLY A 89 -13.176 -4.974 15.014 1.00 61.33 H new ATOM 0 HA3 GLY A 89 -14.739 -5.763 14.929 1.00 61.33 H new ATOM 1230 N SER A 90 -13.537 -5.333 17.931 1.00 62.12 N ATOM 1231 CA SER A 90 -13.824 -4.783 19.252 1.00 13.14 C ATOM 1232 C SER A 90 -12.699 -3.862 19.713 1.00 23.41 C ATOM 1233 O SER A 90 -11.850 -4.234 20.524 1.00 4.44 O ATOM 1234 CB SER A 90 -14.022 -5.912 20.265 1.00 34.23 C ATOM 1235 OG SER A 90 -13.107 -6.970 20.036 1.00 42.43 O ATOM 0 H SER A 90 -12.756 -5.988 17.908 1.00 62.12 H new ATOM 0 HA SER A 90 -14.742 -4.200 19.184 1.00 13.14 H new ATOM 0 HB2 SER A 90 -13.890 -5.525 21.275 1.00 34.23 H new ATOM 0 HB3 SER A 90 -15.043 -6.289 20.199 1.00 34.23 H new ATOM 0 HG SER A 90 -13.253 -7.678 20.698 1.00 42.43 H new ATOM 1241 N PRO A 91 -12.691 -2.629 19.185 1.00 23.12 N ATOM 1242 CA PRO A 91 -11.678 -1.627 19.529 1.00 14.35 C ATOM 1243 C PRO A 91 -11.823 -1.121 20.958 1.00 65.24 C ATOM 1244 O PRO A 91 -12.850 -1.339 21.603 1.00 31.11 O ATOM 1245 CB PRO A 91 -11.943 -0.498 18.531 1.00 12.53 C ATOM 1246 CG PRO A 91 -13.381 -0.643 18.168 1.00 73.01 C ATOM 1247 CD PRO A 91 -13.673 -2.117 18.213 1.00 74.41 C ATOM 0 HA PRO A 91 -10.668 -2.034 19.475 1.00 14.35 H new ATOM 0 HB2 PRO A 91 -11.743 0.477 18.974 1.00 12.53 H new ATOM 0 HB3 PRO A 91 -11.302 -0.587 17.654 1.00 12.53 H new ATOM 0 HG2 PRO A 91 -14.016 -0.098 18.866 1.00 73.01 H new ATOM 0 HG3 PRO A 91 -13.576 -0.237 17.175 1.00 73.01 H new ATOM 0 HD2 PRO A 91 -14.696 -2.315 18.533 1.00 74.41 H new ATOM 0 HD3 PRO A 91 -13.550 -2.581 17.235 1.00 74.41 H new ATOM 1255 N SER A 92 -10.792 -0.442 21.449 1.00 61.33 N ATOM 1256 CA SER A 92 -10.805 0.093 22.806 1.00 50.54 C ATOM 1257 C SER A 92 -9.993 1.382 22.889 1.00 1.23 C ATOM 1258 O SER A 92 -9.356 1.791 21.918 1.00 32.41 O ATOM 1259 CB SER A 92 -10.248 -0.937 23.789 1.00 73.20 C ATOM 1260 OG SER A 92 -8.997 -1.437 23.350 1.00 52.14 O ATOM 0 H SER A 92 -9.937 -0.249 20.928 1.00 61.33 H new ATOM 0 HA SER A 92 -11.838 0.316 23.072 1.00 50.54 H new ATOM 0 HB2 SER A 92 -10.136 -0.482 24.773 1.00 73.20 H new ATOM 0 HB3 SER A 92 -10.954 -1.760 23.897 1.00 73.20 H new ATOM 0 HG SER A 92 -8.662 -2.093 23.997 1.00 52.14 H new ATOM 1266 N ASN A 93 -10.021 2.018 24.056 1.00 54.53 N ATOM 1267 CA ASN A 93 -9.288 3.262 24.267 1.00 20.22 C ATOM 1268 C ASN A 93 -9.729 4.328 23.270 1.00 2.10 C ATOM 1269 O ASN A 93 -8.900 4.967 22.620 1.00 12.02 O ATOM 1270 CB ASN A 93 -7.783 3.019 24.139 1.00 32.12 C ATOM 1271 CG ASN A 93 -7.179 2.450 25.408 1.00 21.15 C ATOM 1272 OD1 ASN A 93 -6.402 3.116 26.093 1.00 14.54 O ATOM 1273 ND2 ASN A 93 -7.534 1.211 25.728 1.00 24.41 N ATOM 0 H ASN A 93 -10.543 1.693 24.870 1.00 54.53 H new ATOM 0 HA ASN A 93 -9.507 3.618 25.274 1.00 20.22 H new ATOM 0 HB2 ASN A 93 -7.598 2.333 23.312 1.00 32.12 H new ATOM 0 HB3 ASN A 93 -7.286 3.957 23.892 1.00 32.12 H new ATOM 0 HD21 ASN A 93 -7.160 0.775 26.571 1.00 24.41 H new ATOM 0 HD22 ASN A 93 -8.181 0.696 25.131 1.00 24.41 H new ATOM 1280 N CYS A 94 -11.039 4.517 23.154 1.00 11.24 N ATOM 1281 CA CYS A 94 -11.591 5.507 22.236 1.00 11.44 C ATOM 1282 C CYS A 94 -11.186 6.918 22.649 1.00 21.52 C ATOM 1283 O CYS A 94 -11.862 7.559 23.455 1.00 33.22 O ATOM 1284 CB CYS A 94 -13.116 5.394 22.187 1.00 35.23 C ATOM 1285 SG CYS A 94 -13.723 3.714 21.908 1.00 32.32 S ATOM 0 H CYS A 94 -11.739 3.998 23.684 1.00 11.24 H new ATOM 0 HA CYS A 94 -11.188 5.309 21.243 1.00 11.44 H new ATOM 0 HB2 CYS A 94 -13.528 5.766 23.125 1.00 35.23 H new ATOM 0 HB3 CYS A 94 -13.492 6.041 21.395 1.00 35.23 H new ATOM 0 HG CYS A 94 -14.175 3.612 20.694 1.00 32.32 H new ATOM 1291 N LYS A 95 -10.077 7.396 22.094 1.00 42.13 N ATOM 1292 CA LYS A 95 -9.581 8.731 22.405 1.00 60.02 C ATOM 1293 C LYS A 95 -9.428 9.564 21.136 1.00 63.34 C ATOM 1294 O LYS A 95 -9.059 9.046 20.082 1.00 11.33 O ATOM 1295 CB LYS A 95 -8.238 8.642 23.134 1.00 31.23 C ATOM 1296 CG LYS A 95 -7.122 8.061 22.282 1.00 31.35 C ATOM 1297 CD LYS A 95 -6.603 6.753 22.859 1.00 41.34 C ATOM 1298 CE LYS A 95 -5.282 6.951 23.586 1.00 62.52 C ATOM 1299 NZ LYS A 95 -4.955 5.795 24.466 1.00 31.21 N ATOM 0 H LYS A 95 -9.505 6.878 21.427 1.00 42.13 H new ATOM 0 HA LYS A 95 -10.308 9.219 23.054 1.00 60.02 H new ATOM 0 HB2 LYS A 95 -7.948 9.638 23.468 1.00 31.23 H new ATOM 0 HB3 LYS A 95 -8.359 8.029 24.027 1.00 31.23 H new ATOM 0 HG2 LYS A 95 -7.486 7.894 21.268 1.00 31.35 H new ATOM 0 HG3 LYS A 95 -6.305 8.779 22.212 1.00 31.35 H new ATOM 0 HD2 LYS A 95 -7.340 6.340 23.547 1.00 41.34 H new ATOM 0 HD3 LYS A 95 -6.473 6.026 22.057 1.00 41.34 H new ATOM 0 HE2 LYS A 95 -4.484 7.090 22.857 1.00 62.52 H new ATOM 0 HE3 LYS A 95 -5.329 7.861 24.184 1.00 62.52 H new ATOM 0 HZ1 LYS A 95 -4.048 5.968 24.944 1.00 31.21 H new ATOM 0 HZ2 LYS A 95 -5.704 5.678 25.178 1.00 31.21 H new ATOM 0 HZ3 LYS A 95 -4.884 4.931 23.892 1.00 31.21 H new ATOM 1313 N LEU A 96 -9.714 10.857 21.245 1.00 11.34 N ATOM 1314 CA LEU A 96 -9.606 11.762 20.106 1.00 43.11 C ATOM 1315 C LEU A 96 -9.432 13.205 20.572 1.00 14.54 C ATOM 1316 O LEU A 96 -9.827 13.561 21.681 1.00 54.42 O ATOM 1317 CB LEU A 96 -10.847 11.647 19.219 1.00 63.12 C ATOM 1318 CG LEU A 96 -12.170 12.072 19.857 1.00 24.50 C ATOM 1319 CD1 LEU A 96 -12.381 13.570 19.702 1.00 64.50 C ATOM 1320 CD2 LEU A 96 -13.330 11.301 19.245 1.00 3.54 C ATOM 0 H LEU A 96 -10.022 11.302 22.110 1.00 11.34 H new ATOM 0 HA LEU A 96 -8.726 11.477 19.529 1.00 43.11 H new ATOM 0 HB2 LEU A 96 -10.687 12.250 18.325 1.00 63.12 H new ATOM 0 HB3 LEU A 96 -10.941 10.611 18.892 1.00 63.12 H new ATOM 0 HG LEU A 96 -12.128 11.841 20.921 1.00 24.50 H new ATOM 0 HD11 LEU A 96 -13.328 13.854 20.162 1.00 64.50 H new ATOM 0 HD12 LEU A 96 -11.566 14.105 20.190 1.00 64.50 H new ATOM 0 HD13 LEU A 96 -12.401 13.827 18.643 1.00 64.50 H new ATOM 0 HD21 LEU A 96 -14.263 11.617 19.711 1.00 3.54 H new ATOM 0 HD22 LEU A 96 -13.374 11.500 18.174 1.00 3.54 H new ATOM 0 HD23 LEU A 96 -13.185 10.233 19.410 1.00 3.54 H new ATOM 1332 N ASN A 97 -8.841 14.030 19.715 1.00 13.34 N ATOM 1333 CA ASN A 97 -8.616 15.434 20.037 1.00 52.30 C ATOM 1334 C ASN A 97 -7.637 15.576 21.199 1.00 32.45 C ATOM 1335 O ASN A 97 -7.869 16.346 22.130 1.00 23.41 O ATOM 1336 CB ASN A 97 -9.939 16.118 20.384 1.00 4.43 C ATOM 1337 CG ASN A 97 -9.869 17.624 20.231 1.00 44.22 C ATOM 1338 OD1 ASN A 97 -9.321 18.321 21.085 1.00 51.53 O ATOM 1339 ND2 ASN A 97 -10.428 18.135 19.139 1.00 73.42 N ATOM 0 H ASN A 97 -8.509 13.751 18.792 1.00 13.34 H new ATOM 0 HA ASN A 97 -8.184 15.917 19.160 1.00 52.30 H new ATOM 0 HB2 ASN A 97 -10.727 15.727 19.740 1.00 4.43 H new ATOM 0 HB3 ASN A 97 -10.214 15.872 21.410 1.00 4.43 H new ATOM 0 HD21 ASN A 97 -10.414 19.143 18.983 1.00 73.42 H new ATOM 0 HD22 ASN A 97 -10.871 17.519 18.457 1.00 73.42 H new ATOM 1346 N GLY A 98 -6.541 14.825 21.138 1.00 44.43 N ATOM 1347 CA GLY A 98 -5.544 14.882 22.190 1.00 52.05 C ATOM 1348 C GLY A 98 -6.020 14.232 23.475 1.00 51.34 C ATOM 1349 O GLY A 98 -5.795 14.759 24.564 1.00 72.31 O ATOM 0 H GLY A 98 -6.326 14.179 20.379 1.00 44.43 H new ATOM 0 HA2 GLY A 98 -4.634 14.387 21.851 1.00 52.05 H new ATOM 0 HA3 GLY A 98 -5.286 15.923 22.386 1.00 52.05 H new ATOM 1353 N GLY A 99 -6.681 13.086 23.347 1.00 71.25 N ATOM 1354 CA GLY A 99 -7.181 12.385 24.515 1.00 52.01 C ATOM 1355 C GLY A 99 -8.437 13.019 25.079 1.00 13.21 C ATOM 1356 O GLY A 99 -8.419 13.577 26.176 1.00 61.24 O ATOM 0 H GLY A 99 -6.879 12.631 22.456 1.00 71.25 H new ATOM 0 HA2 GLY A 99 -7.388 11.348 24.251 1.00 52.01 H new ATOM 0 HA3 GLY A 99 -6.409 12.370 25.284 1.00 52.01 H new ATOM 1360 N SER A 100 -9.529 12.936 24.327 1.00 22.23 N ATOM 1361 CA SER A 100 -10.799 13.511 24.756 1.00 54.13 C ATOM 1362 C SER A 100 -11.970 12.819 24.066 1.00 13.25 C ATOM 1363 O SER A 100 -12.219 13.032 22.878 1.00 42.43 O ATOM 1364 CB SER A 100 -10.829 15.011 24.457 1.00 3.10 C ATOM 1365 OG SER A 100 -11.853 15.657 25.193 1.00 72.44 O ATOM 0 H SER A 100 -9.560 12.476 23.417 1.00 22.23 H new ATOM 0 HA SER A 100 -10.894 13.360 25.831 1.00 54.13 H new ATOM 0 HB2 SER A 100 -9.864 15.454 24.705 1.00 3.10 H new ATOM 0 HB3 SER A 100 -10.988 15.169 23.390 1.00 3.10 H new ATOM 0 HG SER A 100 -11.850 16.615 24.986 1.00 72.44 H new ATOM 1371 N CYS A 101 -12.684 11.989 24.816 1.00 71.40 N ATOM 1372 CA CYS A 101 -13.830 11.264 24.278 1.00 11.14 C ATOM 1373 C CYS A 101 -14.775 10.834 25.394 1.00 63.14 C ATOM 1374 O CYS A 101 -14.431 9.992 26.225 1.00 44.32 O ATOM 1375 CB CYS A 101 -13.360 10.038 23.492 1.00 53.32 C ATOM 1376 SG CYS A 101 -14.390 9.640 22.060 1.00 44.23 S ATOM 0 H CYS A 101 -12.490 11.801 25.800 1.00 71.40 H new ATOM 0 HA CYS A 101 -14.369 11.933 23.608 1.00 11.14 H new ATOM 0 HB2 CYS A 101 -12.337 10.206 23.155 1.00 53.32 H new ATOM 0 HB3 CYS A 101 -13.338 9.178 24.161 1.00 53.32 H new ATOM 0 HG CYS A 101 -13.912 8.591 21.460 1.00 44.23 H new