USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 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 94 CYS SG : rot 33:sc= 0.601 USER MOD Set 1.2: A 101 CYS SG : rot -139:sc= 0.542 USER MOD Single : A 5 THR OG1 : rot -13:sc= 0.648 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 145:sc= -0.413 (180deg=-1.81!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -21:sc= 0.116 USER MOD Single : A 21 SER OG : rot 180:sc= -0.543 USER MOD Single : A 23 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= -1.5 K(o=-1.5,f=-0.028) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.752 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 45 THR OG1 : rot 147:sc= -0.168 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= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 58 SER OG : rot 42:sc= 0.18 USER MOD Single : A 61 HIS : no HE2:sc= -1.95 X(o=-2,f=-2.4) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.7!) USER MOD Single : A 70 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.3) 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 80 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 84 ASN : amide:sc= -2.43 K(o=-2.4,f=-5.4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0656 USER MOD Single : A 93 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= 0.087 (180deg=-0.494) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.267 14.597 20.936 1.00 24.43 N ATOM 47 CA THR A 5 -17.328 13.193 21.322 1.00 21.50 C ATOM 48 C THR A 5 -17.537 12.296 20.108 1.00 44.32 C ATOM 49 O THR A 5 -18.013 12.748 19.066 1.00 31.52 O ATOM 50 CB THR A 5 -18.459 12.938 22.336 1.00 63.31 C ATOM 51 OG1 THR A 5 -19.493 13.915 22.173 1.00 52.11 O ATOM 52 CG2 THR A 5 -17.931 12.984 23.761 1.00 73.11 C ATOM 0 HA THR A 5 -16.372 12.952 21.787 1.00 21.50 H new ATOM 0 HB THR A 5 -18.866 11.944 22.149 1.00 63.31 H new ATOM 0 HG1 THR A 5 -19.165 14.648 21.612 1.00 52.11 H new ATOM 0 HG21 THR A 5 -18.749 12.801 24.458 1.00 73.11 H new ATOM 0 HG22 THR A 5 -17.166 12.219 23.890 1.00 73.11 H new ATOM 0 HG23 THR A 5 -17.499 13.965 23.958 1.00 73.11 H new ATOM 60 N ALA A 6 -17.180 11.024 20.248 1.00 54.41 N ATOM 61 CA ALA A 6 -17.331 10.064 19.162 1.00 71.33 C ATOM 62 C ALA A 6 -17.797 8.710 19.688 1.00 54.01 C ATOM 63 O ALA A 6 -17.397 8.280 20.770 1.00 55.21 O ATOM 64 CB ALA A 6 -16.021 9.915 18.403 1.00 20.32 C ATOM 0 H ALA A 6 -16.784 10.634 21.103 1.00 54.41 H new ATOM 0 HA ALA A 6 -18.092 10.441 18.479 1.00 71.33 H new ATOM 0 HB1 ALA A 6 -16.149 9.195 17.595 1.00 20.32 H new ATOM 0 HB2 ALA A 6 -15.730 10.879 17.987 1.00 20.32 H new ATOM 0 HB3 ALA A 6 -15.245 9.564 19.083 1.00 20.32 H new ATOM 70 N THR A 7 -18.647 8.041 18.915 1.00 73.32 N ATOM 71 CA THR A 7 -19.169 6.736 19.304 1.00 42.42 C ATOM 72 C THR A 7 -18.847 5.680 18.252 1.00 63.25 C ATOM 73 O THR A 7 -18.942 5.936 17.051 1.00 60.24 O ATOM 74 CB THR A 7 -20.693 6.783 19.518 1.00 24.34 C ATOM 75 OG1 THR A 7 -21.107 8.123 19.806 1.00 74.53 O ATOM 76 CG2 THR A 7 -21.108 5.863 20.657 1.00 1.24 C ATOM 0 H THR A 7 -18.989 8.381 18.016 1.00 73.32 H new ATOM 0 HA THR A 7 -18.686 6.468 20.244 1.00 42.42 H new ATOM 0 HB THR A 7 -21.177 6.443 18.602 1.00 24.34 H new ATOM 0 HG1 THR A 7 -22.078 8.144 19.939 1.00 74.53 H new ATOM 0 HG21 THR A 7 -22.189 5.913 20.790 1.00 1.24 H new ATOM 0 HG22 THR A 7 -20.818 4.839 20.422 1.00 1.24 H new ATOM 0 HG23 THR A 7 -20.615 6.177 21.577 1.00 1.24 H new ATOM 84 N PHE A 8 -18.466 4.493 18.711 1.00 2.20 N ATOM 85 CA PHE A 8 -18.130 3.397 17.809 1.00 70.04 C ATOM 86 C PHE A 8 -19.390 2.686 17.325 1.00 23.44 C ATOM 87 O PHE A 8 -20.293 2.396 18.109 1.00 61.43 O ATOM 88 CB PHE A 8 -17.205 2.399 18.508 1.00 54.23 C ATOM 89 CG PHE A 8 -16.963 1.147 17.714 1.00 44.24 C ATOM 90 CD1 PHE A 8 -16.365 1.207 16.466 1.00 23.03 C ATOM 91 CD2 PHE A 8 -17.336 -0.089 18.217 1.00 14.53 C ATOM 92 CE1 PHE A 8 -16.142 0.057 15.733 1.00 5.44 C ATOM 93 CE2 PHE A 8 -17.114 -1.242 17.488 1.00 33.43 C ATOM 94 CZ PHE A 8 -16.518 -1.169 16.244 1.00 70.50 C ATOM 0 H PHE A 8 -18.382 4.265 19.702 1.00 2.20 H new ATOM 0 HA PHE A 8 -17.615 3.816 16.944 1.00 70.04 H new ATOM 0 HB2 PHE A 8 -16.249 2.882 18.710 1.00 54.23 H new ATOM 0 HB3 PHE A 8 -17.636 2.130 19.472 1.00 54.23 H new ATOM 0 HD1 PHE A 8 -16.070 2.164 16.061 1.00 23.03 H new ATOM 0 HD2 PHE A 8 -17.805 -0.152 19.188 1.00 14.53 H new ATOM 0 HE1 PHE A 8 -15.674 0.117 14.761 1.00 5.44 H new ATOM 0 HE2 PHE A 8 -17.407 -2.200 17.891 1.00 33.43 H new ATOM 0 HZ PHE A 8 -16.347 -2.069 15.672 1.00 70.50 H new ATOM 104 N ALA A 9 -19.443 2.406 16.027 1.00 62.01 N ATOM 105 CA ALA A 9 -20.590 1.728 15.437 1.00 10.33 C ATOM 106 C ALA A 9 -20.145 0.600 14.512 1.00 71.52 C ATOM 107 O ALA A 9 -18.966 0.487 14.175 1.00 23.51 O ATOM 108 CB ALA A 9 -21.460 2.721 14.680 1.00 35.11 C ATOM 0 H ALA A 9 -18.704 2.639 15.364 1.00 62.01 H new ATOM 0 HA ALA A 9 -21.176 1.291 16.245 1.00 10.33 H new ATOM 0 HB1 ALA A 9 -22.313 2.200 14.245 1.00 35.11 H new ATOM 0 HB2 ALA A 9 -21.816 3.490 15.366 1.00 35.11 H new ATOM 0 HB3 ALA A 9 -20.875 3.186 13.886 1.00 35.11 H new ATOM 114 N LYS A 10 -21.096 -0.235 14.105 1.00 34.41 N ATOM 115 CA LYS A 10 -20.802 -1.355 13.219 1.00 64.20 C ATOM 116 C LYS A 10 -21.353 -1.101 11.820 1.00 42.51 C ATOM 117 O LYS A 10 -22.382 -0.444 11.656 1.00 14.40 O ATOM 118 CB LYS A 10 -21.395 -2.648 13.784 1.00 62.52 C ATOM 119 CG LYS A 10 -20.424 -3.816 13.779 1.00 54.45 C ATOM 120 CD LYS A 10 -20.507 -4.604 12.482 1.00 53.41 C ATOM 121 CE LYS A 10 -19.189 -5.293 12.163 1.00 51.22 C ATOM 122 NZ LYS A 10 -18.703 -6.117 13.305 1.00 43.31 N ATOM 0 H LYS A 10 -22.077 -0.157 14.375 1.00 34.41 H new ATOM 0 HA LYS A 10 -19.719 -1.458 13.151 1.00 64.20 H new ATOM 0 HB2 LYS A 10 -21.729 -2.468 14.806 1.00 62.52 H new ATOM 0 HB3 LYS A 10 -22.277 -2.917 13.203 1.00 62.52 H new ATOM 0 HG2 LYS A 10 -19.408 -3.446 13.917 1.00 54.45 H new ATOM 0 HG3 LYS A 10 -20.641 -4.474 14.620 1.00 54.45 H new ATOM 0 HD2 LYS A 10 -21.299 -5.349 12.558 1.00 53.41 H new ATOM 0 HD3 LYS A 10 -20.776 -3.935 11.665 1.00 53.41 H new ATOM 0 HE2 LYS A 10 -19.314 -5.927 11.285 1.00 51.22 H new ATOM 0 HE3 LYS A 10 -18.439 -4.543 11.911 1.00 51.22 H new ATOM 0 HZ1 LYS A 10 -18.226 -6.967 12.942 1.00 43.31 H new ATOM 0 HZ2 LYS A 10 -18.034 -5.561 13.874 1.00 43.31 H new ATOM 0 HZ3 LYS A 10 -19.510 -6.400 13.897 1.00 43.31 H new ATOM 136 N THR A 11 -20.664 -1.626 10.812 1.00 53.23 N ATOM 137 CA THR A 11 -21.083 -1.456 9.427 1.00 63.13 C ATOM 138 C THR A 11 -21.514 -2.785 8.816 1.00 73.14 C ATOM 139 O THR A 11 -22.642 -2.926 8.345 1.00 63.43 O ATOM 140 CB THR A 11 -19.958 -0.849 8.568 1.00 73.53 C ATOM 141 OG1 THR A 11 -19.152 0.027 9.366 1.00 12.34 O ATOM 142 CG2 THR A 11 -20.531 -0.084 7.386 1.00 45.11 C ATOM 0 H THR A 11 -19.812 -2.174 10.930 1.00 53.23 H new ATOM 0 HA THR A 11 -21.931 -0.771 9.436 1.00 63.13 H new ATOM 0 HB THR A 11 -19.342 -1.663 8.187 1.00 73.53 H new ATOM 0 HG1 THR A 11 -18.438 0.408 8.814 1.00 12.34 H new ATOM 0 HG21 THR A 11 -19.717 0.335 6.795 1.00 45.11 H new ATOM 0 HG22 THR A 11 -21.119 -0.760 6.766 1.00 45.11 H new ATOM 0 HG23 THR A 11 -21.168 0.722 7.749 1.00 45.11 H new ATOM 150 N SER A 12 -20.607 -3.757 8.827 1.00 63.00 N ATOM 151 CA SER A 12 -20.893 -5.074 8.271 1.00 14.11 C ATOM 152 C SER A 12 -19.691 -6.000 8.425 1.00 20.15 C ATOM 153 O SER A 12 -18.559 -5.624 8.121 1.00 10.32 O ATOM 154 CB SER A 12 -21.273 -4.955 6.794 1.00 11.34 C ATOM 155 OG SER A 12 -20.957 -6.143 6.089 1.00 25.33 O ATOM 0 H SER A 12 -19.669 -3.657 9.215 1.00 63.00 H new ATOM 0 HA SER A 12 -21.732 -5.500 8.822 1.00 14.11 H new ATOM 0 HB2 SER A 12 -22.340 -4.748 6.705 1.00 11.34 H new ATOM 0 HB3 SER A 12 -20.747 -4.112 6.347 1.00 11.34 H new ATOM 0 HG SER A 12 -21.211 -6.042 5.148 1.00 25.33 H new ATOM 161 N ASP A 13 -19.946 -7.215 8.901 1.00 11.51 N ATOM 162 CA ASP A 13 -18.885 -8.198 9.095 1.00 44.04 C ATOM 163 C ASP A 13 -19.131 -9.438 8.241 1.00 3.53 C ATOM 164 O ASP A 13 -20.206 -10.035 8.291 1.00 11.12 O ATOM 165 CB ASP A 13 -18.790 -8.590 10.570 1.00 14.12 C ATOM 166 CG ASP A 13 -20.152 -8.776 11.209 1.00 72.24 C ATOM 167 OD1 ASP A 13 -20.694 -9.898 11.134 1.00 63.11 O ATOM 168 OD2 ASP A 13 -20.675 -7.799 11.786 1.00 42.02 O ATOM 0 H ASP A 13 -20.877 -7.542 9.159 1.00 11.51 H new ATOM 0 HA ASP A 13 -17.943 -7.747 8.785 1.00 44.04 H new ATOM 0 HB2 ASP A 13 -18.220 -9.515 10.661 1.00 14.12 H new ATOM 0 HB3 ASP A 13 -18.239 -7.821 11.112 1.00 14.12 H new ATOM 173 N TRP A 14 -18.128 -9.817 7.458 1.00 32.13 N ATOM 174 CA TRP A 14 -18.236 -10.986 6.592 1.00 11.31 C ATOM 175 C TRP A 14 -17.320 -12.107 7.073 1.00 2.54 C ATOM 176 O TRP A 14 -16.159 -12.188 6.672 1.00 65.33 O ATOM 177 CB TRP A 14 -17.888 -10.611 5.149 1.00 63.53 C ATOM 178 CG TRP A 14 -16.619 -9.824 5.030 1.00 53.32 C ATOM 179 CD1 TRP A 14 -15.393 -10.298 4.660 1.00 70.14 C ATOM 180 CD2 TRP A 14 -16.452 -8.424 5.281 1.00 11.22 C ATOM 181 NE1 TRP A 14 -14.472 -9.277 4.668 1.00 21.21 N ATOM 182 CE2 TRP A 14 -15.097 -8.118 5.044 1.00 44.33 C ATOM 183 CE3 TRP A 14 -17.314 -7.400 5.681 1.00 53.02 C ATOM 184 CZ2 TRP A 14 -14.589 -6.831 5.196 1.00 53.44 C ATOM 185 CZ3 TRP A 14 -16.807 -6.124 5.831 1.00 73.23 C ATOM 186 CH2 TRP A 14 -15.455 -5.848 5.589 1.00 45.14 C ATOM 0 H TRP A 14 -17.232 -9.333 7.405 1.00 32.13 H new ATOM 0 HA TRP A 14 -19.266 -11.342 6.630 1.00 11.31 H new ATOM 0 HB2 TRP A 14 -17.800 -11.521 4.556 1.00 63.53 H new ATOM 0 HB3 TRP A 14 -18.708 -10.032 4.724 1.00 63.53 H new ATOM 0 HD1 TRP A 14 -15.178 -11.324 4.399 1.00 70.14 H new ATOM 0 HE1 TRP A 14 -13.484 -9.368 4.432 1.00 21.21 H new ATOM 0 HE3 TRP A 14 -18.358 -7.602 5.870 1.00 53.02 H new ATOM 0 HZ2 TRP A 14 -13.547 -6.616 5.010 1.00 53.44 H new ATOM 0 HZ3 TRP A 14 -17.464 -5.325 6.140 1.00 73.23 H new ATOM 0 HH2 TRP A 14 -15.090 -4.840 5.715 1.00 45.14 H new ATOM 197 N GLY A 15 -17.850 -12.969 7.934 1.00 22.32 N ATOM 198 CA GLY A 15 -17.066 -14.074 8.456 1.00 51.40 C ATOM 199 C GLY A 15 -16.042 -13.625 9.480 1.00 43.23 C ATOM 200 O GLY A 15 -16.350 -13.505 10.666 1.00 34.14 O ATOM 0 H GLY A 15 -18.808 -12.923 8.280 1.00 22.32 H new ATOM 0 HA2 GLY A 15 -17.733 -14.806 8.911 1.00 51.40 H new ATOM 0 HA3 GLY A 15 -16.557 -14.575 7.633 1.00 51.40 H new ATOM 204 N THR A 16 -14.819 -13.377 9.022 1.00 14.54 N ATOM 205 CA THR A 16 -13.745 -12.942 9.906 1.00 30.10 C ATOM 206 C THR A 16 -13.519 -11.439 9.799 1.00 41.22 C ATOM 207 O THR A 16 -12.900 -10.830 10.670 1.00 74.30 O ATOM 208 CB THR A 16 -12.426 -13.672 9.591 1.00 4.14 C ATOM 209 OG1 THR A 16 -11.401 -13.247 10.496 1.00 23.44 O ATOM 210 CG2 THR A 16 -11.988 -13.403 8.159 1.00 23.24 C ATOM 0 H THR A 16 -14.548 -13.470 8.043 1.00 14.54 H new ATOM 0 HA THR A 16 -14.054 -13.189 10.922 1.00 30.10 H new ATOM 0 HB THR A 16 -12.592 -14.743 9.709 1.00 4.14 H new ATOM 0 HG1 THR A 16 -11.645 -12.380 10.882 1.00 23.44 H new ATOM 0 HG21 THR A 16 -11.054 -13.929 7.959 1.00 23.24 H new ATOM 0 HG22 THR A 16 -12.757 -13.755 7.471 1.00 23.24 H new ATOM 0 HG23 THR A 16 -11.839 -12.332 8.019 1.00 23.24 H new ATOM 218 N GLY A 17 -14.025 -10.844 8.723 1.00 23.52 N ATOM 219 CA GLY A 17 -13.869 -9.416 8.522 1.00 51.20 C ATOM 220 C GLY A 17 -14.982 -8.613 9.167 1.00 14.13 C ATOM 221 O GLY A 17 -16.118 -9.077 9.258 1.00 43.45 O ATOM 0 H GLY A 17 -14.540 -11.326 7.987 1.00 23.52 H new ATOM 0 HA2 GLY A 17 -12.911 -9.097 8.932 1.00 51.20 H new ATOM 0 HA3 GLY A 17 -13.845 -9.203 7.453 1.00 51.20 H new ATOM 225 N PHE A 18 -14.655 -7.407 9.618 1.00 54.54 N ATOM 226 CA PHE A 18 -15.634 -6.539 10.261 1.00 22.32 C ATOM 227 C PHE A 18 -15.510 -5.106 9.750 1.00 21.55 C ATOM 228 O PHE A 18 -14.421 -4.650 9.407 1.00 31.50 O ATOM 229 CB PHE A 18 -15.454 -6.568 11.781 1.00 14.35 C ATOM 230 CG PHE A 18 -14.285 -5.755 12.260 1.00 14.12 C ATOM 231 CD1 PHE A 18 -14.434 -4.409 12.549 1.00 74.34 C ATOM 232 CD2 PHE A 18 -13.038 -6.339 12.421 1.00 60.24 C ATOM 233 CE1 PHE A 18 -13.360 -3.658 12.992 1.00 63.00 C ATOM 234 CE2 PHE A 18 -11.962 -5.593 12.865 1.00 13.55 C ATOM 235 CZ PHE A 18 -12.123 -4.251 13.148 1.00 75.23 C ATOM 0 H PHE A 18 -13.719 -7.008 9.550 1.00 54.54 H new ATOM 0 HA PHE A 18 -16.629 -6.910 10.013 1.00 22.32 H new ATOM 0 HB2 PHE A 18 -16.363 -6.197 12.254 1.00 14.35 H new ATOM 0 HB3 PHE A 18 -15.325 -7.601 12.104 1.00 14.35 H new ATOM 0 HD1 PHE A 18 -15.399 -3.940 12.427 1.00 74.34 H new ATOM 0 HD2 PHE A 18 -12.906 -7.387 12.197 1.00 60.24 H new ATOM 0 HE1 PHE A 18 -13.489 -2.609 13.216 1.00 63.00 H new ATOM 0 HE2 PHE A 18 -10.996 -6.060 12.990 1.00 13.55 H new ATOM 0 HZ PHE A 18 -11.282 -3.666 13.491 1.00 75.23 H new ATOM 245 N GLY A 19 -16.637 -4.403 9.702 1.00 44.30 N ATOM 246 CA GLY A 19 -16.635 -3.030 9.231 1.00 15.41 C ATOM 247 C GLY A 19 -16.847 -2.032 10.352 1.00 52.50 C ATOM 248 O GLY A 19 -17.906 -2.004 10.976 1.00 4.20 O ATOM 0 H GLY A 19 -17.551 -4.759 9.981 1.00 44.30 H new ATOM 0 HA2 GLY A 19 -15.687 -2.820 8.737 1.00 15.41 H new ATOM 0 HA3 GLY A 19 -17.419 -2.904 8.484 1.00 15.41 H new ATOM 252 N GLY A 20 -15.833 -1.211 10.610 1.00 42.32 N ATOM 253 CA GLY A 20 -15.933 -0.218 11.665 1.00 10.12 C ATOM 254 C GLY A 20 -16.549 1.080 11.183 1.00 2.11 C ATOM 255 O GLY A 20 -16.369 1.470 10.030 1.00 4.01 O ATOM 0 H GLY A 20 -14.945 -1.216 10.108 1.00 42.32 H new ATOM 0 HA2 GLY A 20 -16.532 -0.620 12.482 1.00 10.12 H new ATOM 0 HA3 GLY A 20 -14.940 -0.018 12.067 1.00 10.12 H new ATOM 259 N SER A 21 -17.279 1.751 12.069 1.00 21.03 N ATOM 260 CA SER A 21 -17.929 3.010 11.726 1.00 3.42 C ATOM 261 C SER A 21 -17.841 4.000 12.884 1.00 71.50 C ATOM 262 O SER A 21 -18.630 3.938 13.828 1.00 54.32 O ATOM 263 CB SER A 21 -19.394 2.769 11.356 1.00 73.13 C ATOM 264 OG SER A 21 -20.206 3.861 11.752 1.00 4.34 O ATOM 0 H SER A 21 -17.435 1.444 13.029 1.00 21.03 H new ATOM 0 HA SER A 21 -17.411 3.435 10.867 1.00 3.42 H new ATOM 0 HB2 SER A 21 -19.481 2.619 10.280 1.00 73.13 H new ATOM 0 HB3 SER A 21 -19.748 1.856 11.835 1.00 73.13 H new ATOM 0 HG SER A 21 -21.137 3.683 11.503 1.00 4.34 H new ATOM 270 N TRP A 22 -16.877 4.910 12.804 1.00 63.31 N ATOM 271 CA TRP A 22 -16.685 5.912 13.845 1.00 45.04 C ATOM 272 C TRP A 22 -17.498 7.169 13.548 1.00 35.14 C ATOM 273 O TRP A 22 -17.355 7.775 12.486 1.00 63.33 O ATOM 274 CB TRP A 22 -15.204 6.267 13.973 1.00 54.33 C ATOM 275 CG TRP A 22 -14.366 5.141 14.500 1.00 1.55 C ATOM 276 CD1 TRP A 22 -13.608 4.272 13.768 1.00 21.20 C ATOM 277 CD2 TRP A 22 -14.204 4.762 15.871 1.00 63.41 C ATOM 278 NE1 TRP A 22 -12.985 3.375 14.603 1.00 4.53 N ATOM 279 CE2 TRP A 22 -13.334 3.655 15.897 1.00 42.41 C ATOM 280 CE3 TRP A 22 -14.709 5.251 17.079 1.00 35.53 C ATOM 281 CZ2 TRP A 22 -12.959 3.031 17.083 1.00 31.42 C ATOM 282 CZ3 TRP A 22 -14.336 4.629 18.256 1.00 42.35 C ATOM 283 CH2 TRP A 22 -13.468 3.530 18.252 1.00 14.03 C ATOM 0 H TRP A 22 -16.217 4.974 12.029 1.00 63.31 H new ATOM 0 HA TRP A 22 -17.033 5.491 14.788 1.00 45.04 H new ATOM 0 HB2 TRP A 22 -14.824 6.567 12.996 1.00 54.33 H new ATOM 0 HB3 TRP A 22 -15.100 7.128 14.634 1.00 54.33 H new ATOM 0 HD1 TRP A 22 -13.512 4.287 12.692 1.00 21.20 H new ATOM 0 HE1 TRP A 22 -12.363 2.623 14.307 1.00 4.53 H new ATOM 0 HE3 TRP A 22 -15.378 6.099 17.093 1.00 35.53 H new ATOM 0 HZ2 TRP A 22 -12.290 2.183 17.081 1.00 31.42 H new ATOM 0 HZ3 TRP A 22 -14.721 4.997 19.195 1.00 42.35 H new ATOM 0 HH2 TRP A 22 -13.195 3.067 19.189 1.00 14.03 H new ATOM 294 N THR A 23 -18.351 7.554 14.492 1.00 61.10 N ATOM 295 CA THR A 23 -19.186 8.737 14.330 1.00 45.13 C ATOM 296 C THR A 23 -18.637 9.912 15.132 1.00 10.23 C ATOM 297 O THR A 23 -18.815 9.984 16.348 1.00 14.13 O ATOM 298 CB THR A 23 -20.638 8.465 14.769 1.00 34.24 C ATOM 299 OG1 THR A 23 -21.063 7.184 14.289 1.00 15.50 O ATOM 300 CG2 THR A 23 -21.573 9.544 14.246 1.00 43.04 C ATOM 0 H THR A 23 -18.482 7.063 15.377 1.00 61.10 H new ATOM 0 HA THR A 23 -19.176 8.988 13.269 1.00 45.13 H new ATOM 0 HB THR A 23 -20.673 8.474 15.858 1.00 34.24 H new ATOM 0 HG1 THR A 23 -21.986 7.018 14.574 1.00 15.50 H new ATOM 0 HG21 THR A 23 -22.592 9.330 14.569 1.00 43.04 H new ATOM 0 HG22 THR A 23 -21.264 10.514 14.637 1.00 43.04 H new ATOM 0 HG23 THR A 23 -21.534 9.563 13.157 1.00 43.04 H new ATOM 308 N VAL A 24 -17.969 10.832 14.442 1.00 23.33 N ATOM 309 CA VAL A 24 -17.396 12.006 15.090 1.00 34.45 C ATOM 310 C VAL A 24 -18.322 13.210 14.966 1.00 35.14 C ATOM 311 O VAL A 24 -18.816 13.518 13.881 1.00 31.02 O ATOM 312 CB VAL A 24 -16.023 12.363 14.489 1.00 32.24 C ATOM 313 CG1 VAL A 24 -15.355 13.461 15.301 1.00 50.04 C ATOM 314 CG2 VAL A 24 -15.136 11.129 14.415 1.00 24.12 C ATOM 0 H VAL A 24 -17.812 10.787 13.435 1.00 23.33 H new ATOM 0 HA VAL A 24 -17.270 11.757 16.144 1.00 34.45 H new ATOM 0 HB VAL A 24 -16.175 12.734 13.475 1.00 32.24 H new ATOM 0 HG11 VAL A 24 -14.386 13.700 14.862 1.00 50.04 H new ATOM 0 HG12 VAL A 24 -15.985 14.351 15.297 1.00 50.04 H new ATOM 0 HG13 VAL A 24 -15.214 13.120 16.327 1.00 50.04 H new ATOM 0 HG21 VAL A 24 -14.170 11.400 13.988 1.00 24.12 H new ATOM 0 HG22 VAL A 24 -14.989 10.726 15.417 1.00 24.12 H new ATOM 0 HG23 VAL A 24 -15.612 10.376 13.787 1.00 24.12 H new ATOM 324 N LYS A 25 -18.553 13.889 16.084 1.00 51.11 N ATOM 325 CA LYS A 25 -19.419 15.062 16.102 1.00 14.33 C ATOM 326 C LYS A 25 -18.867 16.132 17.039 1.00 34.44 C ATOM 327 O LYS A 25 -18.641 15.878 18.221 1.00 25.40 O ATOM 328 CB LYS A 25 -20.834 14.671 16.534 1.00 73.24 C ATOM 329 CG LYS A 25 -21.896 15.675 16.122 1.00 21.20 C ATOM 330 CD LYS A 25 -22.710 16.148 17.314 1.00 22.33 C ATOM 331 CE LYS A 25 -23.952 15.292 17.515 1.00 3.42 C ATOM 332 NZ LYS A 25 -25.187 16.120 17.608 1.00 52.22 N ATOM 0 H LYS A 25 -18.152 13.647 16.990 1.00 51.11 H new ATOM 0 HA LYS A 25 -19.454 15.471 15.092 1.00 14.33 H new ATOM 0 HB2 LYS A 25 -21.080 13.699 16.106 1.00 73.24 H new ATOM 0 HB3 LYS A 25 -20.855 14.557 17.618 1.00 73.24 H new ATOM 0 HG2 LYS A 25 -21.422 16.531 15.642 1.00 21.20 H new ATOM 0 HG3 LYS A 25 -22.559 15.223 15.384 1.00 21.20 H new ATOM 0 HD2 LYS A 25 -22.094 16.115 18.213 1.00 22.33 H new ATOM 0 HD3 LYS A 25 -23.003 17.187 17.167 1.00 22.33 H new ATOM 0 HE2 LYS A 25 -24.047 14.590 16.687 1.00 3.42 H new ATOM 0 HE3 LYS A 25 -23.842 14.700 18.424 1.00 3.42 H new ATOM 0 HZ1 LYS A 25 -26.011 15.500 17.745 1.00 52.22 H new ATOM 0 HZ2 LYS A 25 -25.107 16.773 18.414 1.00 52.22 H new ATOM 0 HZ3 LYS A 25 -25.306 16.666 16.731 1.00 52.22 H new ATOM 346 N ASN A 26 -18.652 17.329 16.502 1.00 61.33 N ATOM 347 CA ASN A 26 -18.128 18.437 17.291 1.00 53.34 C ATOM 348 C ASN A 26 -19.110 19.604 17.311 1.00 60.53 C ATOM 349 O ASN A 26 -19.563 20.069 16.265 1.00 33.02 O ATOM 350 CB ASN A 26 -16.781 18.899 16.728 1.00 65.43 C ATOM 351 CG ASN A 26 -15.664 17.917 17.021 1.00 33.52 C ATOM 352 OD1 ASN A 26 -14.668 18.264 17.654 1.00 52.21 O ATOM 353 ND2 ASN A 26 -15.827 16.682 16.561 1.00 0.23 N ATOM 0 H ASN A 26 -18.833 17.556 15.524 1.00 61.33 H new ATOM 0 HA ASN A 26 -17.987 18.087 18.314 1.00 53.34 H new ATOM 0 HB2 ASN A 26 -16.868 19.035 15.650 1.00 65.43 H new ATOM 0 HB3 ASN A 26 -16.527 19.871 17.152 1.00 65.43 H new ATOM 0 HD21 ASN A 26 -15.109 15.977 16.728 1.00 0.23 H new ATOM 0 HD22 ASN A 26 -16.670 16.439 16.041 1.00 0.23 H new ATOM 360 N THR A 27 -19.437 20.074 18.512 1.00 2.13 N ATOM 361 CA THR A 27 -20.367 21.186 18.670 1.00 30.31 C ATOM 362 C THR A 27 -20.091 21.953 19.958 1.00 4.53 C ATOM 363 O THR A 27 -19.305 21.517 20.796 1.00 13.55 O ATOM 364 CB THR A 27 -21.829 20.699 18.678 1.00 15.33 C ATOM 365 OG1 THR A 27 -22.718 21.821 18.678 1.00 13.44 O ATOM 366 CG2 THR A 27 -22.102 19.829 19.895 1.00 21.10 C ATOM 0 H THR A 27 -19.072 19.702 19.389 1.00 2.13 H new ATOM 0 HA THR A 27 -20.218 21.848 17.817 1.00 30.31 H new ATOM 0 HB THR A 27 -21.996 20.103 17.781 1.00 15.33 H new ATOM 0 HG1 THR A 27 -23.645 21.504 18.681 1.00 13.44 H new ATOM 0 HG21 THR A 27 -23.140 19.497 19.879 1.00 21.10 H new ATOM 0 HG22 THR A 27 -21.443 18.961 19.877 1.00 21.10 H new ATOM 0 HG23 THR A 27 -21.919 20.405 20.802 1.00 21.10 H new ATOM 374 N GLY A 28 -20.746 23.101 20.108 1.00 25.35 N ATOM 375 CA GLY A 28 -20.559 23.912 21.298 1.00 15.32 C ATOM 376 C GLY A 28 -19.096 24.190 21.584 1.00 24.21 C ATOM 377 O GLY A 28 -18.707 24.384 22.736 1.00 22.22 O ATOM 0 H GLY A 28 -21.402 23.484 19.427 1.00 25.35 H new ATOM 0 HA2 GLY A 28 -21.089 24.857 21.177 1.00 15.32 H new ATOM 0 HA3 GLY A 28 -21.004 23.404 22.154 1.00 15.32 H new ATOM 381 N THR A 29 -18.282 24.210 20.534 1.00 2.54 N ATOM 382 CA THR A 29 -16.855 24.463 20.677 1.00 53.34 C ATOM 383 C THR A 29 -16.395 25.569 19.735 1.00 50.32 C ATOM 384 O THR A 29 -17.105 25.938 18.798 1.00 14.21 O ATOM 385 CB THR A 29 -16.027 23.194 20.402 1.00 72.32 C ATOM 386 OG1 THR A 29 -14.631 23.474 20.559 1.00 21.41 O ATOM 387 CG2 THR A 29 -16.290 22.670 18.998 1.00 71.11 C ATOM 0 H THR A 29 -18.588 24.054 19.574 1.00 2.54 H new ATOM 0 HA THR A 29 -16.693 24.776 21.708 1.00 53.34 H new ATOM 0 HB THR A 29 -16.326 22.430 21.120 1.00 72.32 H new ATOM 0 HG1 THR A 29 -14.113 22.661 20.384 1.00 21.41 H new ATOM 0 HG21 THR A 29 -15.694 21.773 18.827 1.00 71.11 H new ATOM 0 HG22 THR A 29 -17.348 22.429 18.892 1.00 71.11 H new ATOM 0 HG23 THR A 29 -16.017 23.432 18.268 1.00 71.11 H new ATOM 395 N THR A 30 -15.200 26.097 19.986 1.00 51.23 N ATOM 396 CA THR A 30 -14.646 27.162 19.160 1.00 34.12 C ATOM 397 C THR A 30 -14.334 26.661 17.754 1.00 40.52 C ATOM 398 O THR A 30 -14.565 25.495 17.434 1.00 74.34 O ATOM 399 CB THR A 30 -13.362 27.744 19.781 1.00 2.30 C ATOM 400 OG1 THR A 30 -12.435 26.692 20.069 1.00 24.54 O ATOM 401 CG2 THR A 30 -13.678 28.512 21.056 1.00 75.02 C ATOM 0 H THR A 30 -14.598 25.804 20.755 1.00 51.23 H new ATOM 0 HA THR A 30 -15.402 27.945 19.105 1.00 34.12 H new ATOM 0 HB THR A 30 -12.917 28.432 19.062 1.00 2.30 H new ATOM 0 HG1 THR A 30 -11.621 27.071 20.462 1.00 24.54 H new ATOM 0 HG21 THR A 30 -12.756 28.914 21.477 1.00 75.02 H new ATOM 0 HG22 THR A 30 -14.360 29.331 20.828 1.00 75.02 H new ATOM 0 HG23 THR A 30 -14.145 27.842 21.778 1.00 75.02 H new ATOM 409 N SER A 31 -13.808 27.550 16.917 1.00 22.30 N ATOM 410 CA SER A 31 -13.468 27.198 15.543 1.00 64.02 C ATOM 411 C SER A 31 -12.602 25.943 15.503 1.00 33.34 C ATOM 412 O SER A 31 -11.598 25.844 16.209 1.00 61.24 O ATOM 413 CB SER A 31 -12.738 28.358 14.864 1.00 55.41 C ATOM 414 OG SER A 31 -12.008 29.124 15.807 1.00 32.30 O ATOM 0 H SER A 31 -13.608 28.519 17.166 1.00 22.30 H new ATOM 0 HA SER A 31 -14.394 26.996 15.005 1.00 64.02 H new ATOM 0 HB2 SER A 31 -12.060 27.970 14.104 1.00 55.41 H new ATOM 0 HB3 SER A 31 -13.459 28.996 14.353 1.00 55.41 H new ATOM 0 HG SER A 31 -11.549 29.858 15.347 1.00 32.30 H new ATOM 420 N LEU A 32 -12.998 24.986 14.671 1.00 50.21 N ATOM 421 CA LEU A 32 -12.258 23.735 14.537 1.00 2.44 C ATOM 422 C LEU A 32 -11.361 23.762 13.303 1.00 44.03 C ATOM 423 O LEU A 32 -11.328 24.751 12.570 1.00 1.34 O ATOM 424 CB LEU A 32 -13.227 22.555 14.451 1.00 11.24 C ATOM 425 CG LEU A 32 -13.324 21.673 15.697 1.00 45.45 C ATOM 426 CD1 LEU A 32 -11.955 21.132 16.075 1.00 33.51 C ATOM 427 CD2 LEU A 32 -13.930 22.454 16.854 1.00 61.53 C ATOM 0 H LEU A 32 -13.826 25.052 14.079 1.00 50.21 H new ATOM 0 HA LEU A 32 -11.628 23.617 15.419 1.00 2.44 H new ATOM 0 HB2 LEU A 32 -14.221 22.943 14.227 1.00 11.24 H new ATOM 0 HB3 LEU A 32 -12.931 21.929 13.609 1.00 11.24 H new ATOM 0 HG LEU A 32 -13.976 20.828 15.473 1.00 45.45 H new ATOM 0 HD11 LEU A 32 -12.043 20.507 16.964 1.00 33.51 H new ATOM 0 HD12 LEU A 32 -11.558 20.538 15.252 1.00 33.51 H new ATOM 0 HD13 LEU A 32 -11.280 21.962 16.281 1.00 33.51 H new ATOM 0 HD21 LEU A 32 -13.992 21.812 17.733 1.00 61.53 H new ATOM 0 HD22 LEU A 32 -13.303 23.317 17.078 1.00 61.53 H new ATOM 0 HD23 LEU A 32 -14.929 22.793 16.581 1.00 61.53 H new ATOM 439 N SER A 33 -10.637 22.670 13.079 1.00 61.31 N ATOM 440 CA SER A 33 -9.739 22.570 11.936 1.00 32.14 C ATOM 441 C SER A 33 -9.709 21.144 11.392 1.00 71.42 C ATOM 442 O SER A 33 -9.925 20.918 10.202 1.00 11.22 O ATOM 443 CB SER A 33 -8.327 23.006 12.330 1.00 41.43 C ATOM 444 OG SER A 33 -8.214 23.163 13.733 1.00 21.42 O ATOM 0 H SER A 33 -10.655 21.842 13.675 1.00 61.31 H new ATOM 0 HA SER A 33 -10.111 23.232 11.154 1.00 32.14 H new ATOM 0 HB2 SER A 33 -7.605 22.266 11.985 1.00 41.43 H new ATOM 0 HB3 SER A 33 -8.082 23.946 11.835 1.00 41.43 H new ATOM 0 HG SER A 33 -7.302 23.440 13.959 1.00 21.42 H new ATOM 450 N SER A 34 -9.441 20.187 12.274 1.00 21.14 N ATOM 451 CA SER A 34 -9.379 18.783 11.883 1.00 63.14 C ATOM 452 C SER A 34 -9.756 17.877 13.051 1.00 61.12 C ATOM 453 O SER A 34 -9.790 18.312 14.203 1.00 10.10 O ATOM 454 CB SER A 34 -7.976 18.432 11.383 1.00 64.24 C ATOM 455 OG SER A 34 -7.126 19.566 11.413 1.00 1.05 O ATOM 0 H SER A 34 -9.263 20.358 13.264 1.00 21.14 H new ATOM 0 HA SER A 34 -10.095 18.624 11.076 1.00 63.14 H new ATOM 0 HB2 SER A 34 -7.553 17.640 12.002 1.00 64.24 H new ATOM 0 HB3 SER A 34 -8.035 18.045 10.366 1.00 64.24 H new ATOM 0 HG SER A 34 -6.235 19.316 11.090 1.00 1.05 H new ATOM 461 N TRP A 35 -10.039 16.616 12.746 1.00 35.22 N ATOM 462 CA TRP A 35 -10.414 15.647 13.770 1.00 54.24 C ATOM 463 C TRP A 35 -9.511 14.420 13.715 1.00 13.44 C ATOM 464 O TRP A 35 -9.350 13.801 12.663 1.00 14.14 O ATOM 465 CB TRP A 35 -11.875 15.229 13.595 1.00 42.14 C ATOM 466 CG TRP A 35 -12.240 14.928 12.173 1.00 65.32 C ATOM 467 CD1 TRP A 35 -12.670 15.819 11.231 1.00 13.44 C ATOM 468 CD2 TRP A 35 -12.210 13.648 11.533 1.00 24.14 C ATOM 469 NE1 TRP A 35 -12.908 15.170 10.043 1.00 75.41 N ATOM 470 CE2 TRP A 35 -12.633 13.837 10.203 1.00 12.33 C ATOM 471 CE3 TRP A 35 -11.865 12.360 11.953 1.00 62.22 C ATOM 472 CZ2 TRP A 35 -12.720 12.786 9.294 1.00 3.45 C ATOM 473 CZ3 TRP A 35 -11.953 11.319 11.049 1.00 51.33 C ATOM 474 CH2 TRP A 35 -12.377 11.537 9.732 1.00 11.10 C ATOM 0 H TRP A 35 -10.016 16.240 11.798 1.00 35.22 H new ATOM 0 HA TRP A 35 -10.293 16.120 14.744 1.00 54.24 H new ATOM 0 HB2 TRP A 35 -12.069 14.348 14.207 1.00 42.14 H new ATOM 0 HB3 TRP A 35 -12.520 16.024 13.968 1.00 42.14 H new ATOM 0 HD1 TRP A 35 -12.803 16.878 11.396 1.00 13.44 H new ATOM 0 HE1 TRP A 35 -13.236 15.609 9.183 1.00 75.41 H new ATOM 0 HE3 TRP A 35 -11.536 12.182 12.966 1.00 62.22 H new ATOM 0 HZ2 TRP A 35 -13.047 12.952 8.278 1.00 3.45 H new ATOM 0 HZ3 TRP A 35 -11.690 10.320 11.363 1.00 51.33 H new ATOM 0 HH2 TRP A 35 -12.434 10.702 9.049 1.00 11.10 H new ATOM 485 N THR A 36 -8.922 14.072 14.855 1.00 25.41 N ATOM 486 CA THR A 36 -8.035 12.919 14.936 1.00 1.20 C ATOM 487 C THR A 36 -8.558 11.891 15.933 1.00 40.42 C ATOM 488 O THR A 36 -8.484 12.094 17.145 1.00 45.11 O ATOM 489 CB THR A 36 -6.609 13.336 15.345 1.00 30.44 C ATOM 490 OG1 THR A 36 -6.454 14.752 15.209 1.00 4.13 O ATOM 491 CG2 THR A 36 -5.571 12.622 14.492 1.00 41.31 C ATOM 0 H THR A 36 -9.044 14.573 15.735 1.00 25.41 H new ATOM 0 HA THR A 36 -8.005 12.473 13.942 1.00 1.20 H new ATOM 0 HB THR A 36 -6.457 13.054 16.387 1.00 30.44 H new ATOM 0 HG1 THR A 36 -5.546 15.008 15.473 1.00 4.13 H new ATOM 0 HG21 THR A 36 -4.572 12.932 14.799 1.00 41.31 H new ATOM 0 HG22 THR A 36 -5.672 11.544 14.622 1.00 41.31 H new ATOM 0 HG23 THR A 36 -5.724 12.877 13.443 1.00 41.31 H new ATOM 499 N VAL A 37 -9.085 10.786 15.415 1.00 61.35 N ATOM 500 CA VAL A 37 -9.619 9.725 16.261 1.00 12.01 C ATOM 501 C VAL A 37 -8.680 8.525 16.294 1.00 20.51 C ATOM 502 O VAL A 37 -8.597 7.764 15.331 1.00 52.41 O ATOM 503 CB VAL A 37 -11.006 9.266 15.775 1.00 21.22 C ATOM 504 CG1 VAL A 37 -11.633 8.309 16.779 1.00 43.12 C ATOM 505 CG2 VAL A 37 -11.910 10.465 15.533 1.00 70.03 C ATOM 0 H VAL A 37 -9.154 10.602 14.414 1.00 61.35 H new ATOM 0 HA VAL A 37 -9.713 10.136 17.266 1.00 12.01 H new ATOM 0 HB VAL A 37 -10.884 8.736 14.830 1.00 21.22 H new ATOM 0 HG11 VAL A 37 -12.613 7.995 16.419 1.00 43.12 H new ATOM 0 HG12 VAL A 37 -10.993 7.435 16.897 1.00 43.12 H new ATOM 0 HG13 VAL A 37 -11.743 8.811 17.740 1.00 43.12 H new ATOM 0 HG21 VAL A 37 -12.886 10.122 15.190 1.00 70.03 H new ATOM 0 HG22 VAL A 37 -12.028 11.025 16.461 1.00 70.03 H new ATOM 0 HG23 VAL A 37 -11.465 11.109 14.775 1.00 70.03 H new ATOM 515 N GLU A 38 -7.977 8.361 17.409 1.00 73.22 N ATOM 516 CA GLU A 38 -7.043 7.251 17.568 1.00 45.02 C ATOM 517 C GLU A 38 -7.444 6.366 18.744 1.00 42.11 C ATOM 518 O GLU A 38 -8.089 6.824 19.688 1.00 3.30 O ATOM 519 CB GLU A 38 -5.622 7.778 17.773 1.00 52.32 C ATOM 520 CG GLU A 38 -5.538 8.944 18.743 1.00 53.31 C ATOM 521 CD GLU A 38 -5.839 10.275 18.082 1.00 42.14 C ATOM 522 OE1 GLU A 38 -6.034 10.294 16.848 1.00 22.31 O ATOM 523 OE2 GLU A 38 -5.879 11.298 18.797 1.00 45.21 O ATOM 0 H GLU A 38 -8.036 8.982 18.216 1.00 73.22 H new ATOM 0 HA GLU A 38 -7.073 6.651 16.658 1.00 45.02 H new ATOM 0 HB2 GLU A 38 -4.992 6.967 18.138 1.00 52.32 H new ATOM 0 HB3 GLU A 38 -5.216 8.088 16.810 1.00 52.32 H new ATOM 0 HG2 GLU A 38 -6.239 8.782 19.562 1.00 53.31 H new ATOM 0 HG3 GLU A 38 -4.540 8.977 19.180 1.00 53.31 H new ATOM 530 N TRP A 39 -7.059 5.097 18.679 1.00 72.43 N ATOM 531 CA TRP A 39 -7.379 4.146 19.739 1.00 40.21 C ATOM 532 C TRP A 39 -6.341 3.032 19.801 1.00 34.12 C ATOM 533 O TRP A 39 -5.505 2.898 18.907 1.00 33.32 O ATOM 534 CB TRP A 39 -8.770 3.552 19.516 1.00 63.31 C ATOM 535 CG TRP A 39 -9.447 4.069 18.283 1.00 50.52 C ATOM 536 CD1 TRP A 39 -10.498 4.940 18.227 1.00 14.11 C ATOM 537 CD2 TRP A 39 -9.119 3.747 16.927 1.00 13.34 C ATOM 538 NE1 TRP A 39 -10.843 5.177 16.919 1.00 0.34 N ATOM 539 CE2 TRP A 39 -10.012 4.459 16.101 1.00 32.43 C ATOM 540 CE3 TRP A 39 -8.157 2.928 16.329 1.00 41.51 C ATOM 541 CZ2 TRP A 39 -9.970 4.373 14.712 1.00 73.44 C ATOM 542 CZ3 TRP A 39 -8.116 2.845 14.950 1.00 63.22 C ATOM 543 CH2 TRP A 39 -9.018 3.564 14.154 1.00 42.41 C ATOM 0 H TRP A 39 -6.525 4.702 17.905 1.00 72.43 H new ATOM 0 HA TRP A 39 -7.368 4.681 20.689 1.00 40.21 H new ATOM 0 HB2 TRP A 39 -8.687 2.467 19.448 1.00 63.31 H new ATOM 0 HB3 TRP A 39 -9.394 3.771 20.383 1.00 63.31 H new ATOM 0 HD1 TRP A 39 -10.986 5.378 19.085 1.00 14.11 H new ATOM 0 HE1 TRP A 39 -11.597 5.789 16.607 1.00 0.34 H new ATOM 0 HE3 TRP A 39 -7.458 2.370 16.934 1.00 41.51 H new ATOM 0 HZ2 TRP A 39 -10.665 4.925 14.097 1.00 73.44 H new ATOM 0 HZ3 TRP A 39 -7.376 2.215 14.478 1.00 63.22 H new ATOM 0 HH2 TRP A 39 -8.961 3.478 13.079 1.00 42.41 H new ATOM 554 N ASP A 40 -6.398 2.234 20.862 1.00 44.11 N ATOM 555 CA ASP A 40 -5.463 1.129 21.040 1.00 42.15 C ATOM 556 C ASP A 40 -6.087 -0.188 20.593 1.00 63.24 C ATOM 557 O ASP A 40 -7.188 -0.541 21.017 1.00 1.45 O ATOM 558 CB ASP A 40 -5.029 1.032 22.504 1.00 33.02 C ATOM 559 CG ASP A 40 -3.849 0.099 22.697 1.00 45.32 C ATOM 560 OD1 ASP A 40 -2.770 0.384 22.138 1.00 54.50 O ATOM 561 OD2 ASP A 40 -4.006 -0.916 23.408 1.00 43.31 O ATOM 0 H ASP A 40 -7.082 2.332 21.612 1.00 44.11 H new ATOM 0 HA ASP A 40 -4.587 1.323 20.421 1.00 42.15 H new ATOM 0 HB2 ASP A 40 -4.767 2.025 22.869 1.00 33.02 H new ATOM 0 HB3 ASP A 40 -5.867 0.682 23.106 1.00 33.02 H new ATOM 566 N PHE A 41 -5.377 -0.911 19.733 1.00 33.52 N ATOM 567 CA PHE A 41 -5.863 -2.190 19.227 1.00 55.51 C ATOM 568 C PHE A 41 -5.007 -3.341 19.747 1.00 15.25 C ATOM 569 O PHE A 41 -4.157 -3.884 19.042 1.00 12.12 O ATOM 570 CB PHE A 41 -5.861 -2.189 17.697 1.00 11.21 C ATOM 571 CG PHE A 41 -7.168 -1.756 17.095 1.00 73.33 C ATOM 572 CD1 PHE A 41 -8.365 -2.274 17.562 1.00 33.44 C ATOM 573 CD2 PHE A 41 -7.198 -0.832 16.064 1.00 64.55 C ATOM 574 CE1 PHE A 41 -9.569 -1.879 17.011 1.00 42.55 C ATOM 575 CE2 PHE A 41 -8.399 -0.431 15.511 1.00 2.42 C ATOM 576 CZ PHE A 41 -9.586 -0.956 15.984 1.00 52.32 C ATOM 0 H PHE A 41 -4.464 -0.634 19.372 1.00 33.52 H new ATOM 0 HA PHE A 41 -6.884 -2.330 19.583 1.00 55.51 H new ATOM 0 HB2 PHE A 41 -5.070 -1.527 17.343 1.00 11.21 H new ATOM 0 HB3 PHE A 41 -5.621 -3.191 17.341 1.00 11.21 H new ATOM 0 HD1 PHE A 41 -8.357 -2.995 18.366 1.00 33.44 H new ATOM 0 HD2 PHE A 41 -6.273 -0.420 15.688 1.00 64.55 H new ATOM 0 HE1 PHE A 41 -10.495 -2.291 17.383 1.00 42.55 H new ATOM 0 HE2 PHE A 41 -8.410 0.293 14.709 1.00 2.42 H new ATOM 0 HZ PHE A 41 -10.526 -0.645 15.551 1.00 52.32 H new ATOM 586 N PRO A 42 -5.236 -3.723 21.013 1.00 2.23 N ATOM 587 CA PRO A 42 -4.497 -4.813 21.656 1.00 22.21 C ATOM 588 C PRO A 42 -4.854 -6.177 21.077 1.00 63.24 C ATOM 589 O PRO A 42 -3.975 -6.962 20.720 1.00 21.33 O ATOM 590 CB PRO A 42 -4.935 -4.722 23.120 1.00 70.30 C ATOM 591 CG PRO A 42 -6.275 -4.071 23.075 1.00 34.33 C ATOM 592 CD PRO A 42 -6.234 -3.120 21.911 1.00 60.41 C ATOM 0 HA PRO A 42 -3.421 -4.717 21.511 1.00 22.21 H new ATOM 0 HB2 PRO A 42 -4.990 -5.709 23.579 1.00 70.30 H new ATOM 0 HB3 PRO A 42 -4.230 -4.136 23.709 1.00 70.30 H new ATOM 0 HG2 PRO A 42 -7.065 -4.811 22.946 1.00 34.33 H new ATOM 0 HG3 PRO A 42 -6.483 -3.541 24.005 1.00 34.33 H new ATOM 0 HD2 PRO A 42 -7.208 -3.033 21.429 1.00 60.41 H new ATOM 0 HD3 PRO A 42 -5.941 -2.117 22.222 1.00 60.41 H new ATOM 600 N THR A 43 -6.151 -6.455 20.985 1.00 24.51 N ATOM 601 CA THR A 43 -6.625 -7.725 20.450 1.00 30.23 C ATOM 602 C THR A 43 -6.415 -7.799 18.942 1.00 70.14 C ATOM 603 O THR A 43 -6.523 -6.794 18.241 1.00 62.00 O ATOM 604 CB THR A 43 -8.118 -7.944 20.760 1.00 11.40 C ATOM 605 OG1 THR A 43 -8.865 -6.769 20.425 1.00 72.42 O ATOM 606 CG2 THR A 43 -8.322 -8.279 22.230 1.00 4.22 C ATOM 0 H THR A 43 -6.892 -5.817 21.274 1.00 24.51 H new ATOM 0 HA THR A 43 -6.042 -8.509 20.934 1.00 30.23 H new ATOM 0 HB THR A 43 -8.472 -8.783 20.160 1.00 11.40 H new ATOM 0 HG1 THR A 43 -9.813 -6.917 20.623 1.00 72.42 H new ATOM 0 HG21 THR A 43 -9.384 -8.429 22.425 1.00 4.22 H new ATOM 0 HG22 THR A 43 -7.776 -9.190 22.475 1.00 4.22 H new ATOM 0 HG23 THR A 43 -7.953 -7.458 22.845 1.00 4.22 H new ATOM 614 N GLY A 44 -6.114 -8.996 18.449 1.00 13.35 N ATOM 615 CA GLY A 44 -5.893 -9.178 17.026 1.00 24.31 C ATOM 616 C GLY A 44 -6.812 -8.316 16.182 1.00 51.35 C ATOM 617 O GLY A 44 -7.965 -8.673 15.944 1.00 65.22 O ATOM 0 H GLY A 44 -6.019 -9.843 19.009 1.00 13.35 H new ATOM 0 HA2 GLY A 44 -4.856 -8.939 16.789 1.00 24.31 H new ATOM 0 HA3 GLY A 44 -6.045 -10.226 16.769 1.00 24.31 H new ATOM 621 N THR A 45 -6.299 -7.176 15.729 1.00 72.11 N ATOM 622 CA THR A 45 -7.082 -6.259 14.909 1.00 54.23 C ATOM 623 C THR A 45 -6.179 -5.400 14.030 1.00 32.01 C ATOM 624 O THR A 45 -5.021 -5.150 14.368 1.00 64.32 O ATOM 625 CB THR A 45 -7.958 -5.338 15.778 1.00 25.11 C ATOM 626 OG1 THR A 45 -7.185 -4.797 16.854 1.00 73.43 O ATOM 627 CG2 THR A 45 -9.153 -6.097 16.337 1.00 31.11 C ATOM 0 H THR A 45 -5.345 -6.866 15.916 1.00 72.11 H new ATOM 0 HA THR A 45 -7.725 -6.871 14.277 1.00 54.23 H new ATOM 0 HB THR A 45 -8.324 -4.525 15.151 1.00 25.11 H new ATOM 0 HG1 THR A 45 -7.498 -3.891 17.059 1.00 73.43 H new ATOM 0 HG21 THR A 45 -9.757 -5.426 16.948 1.00 31.11 H new ATOM 0 HG22 THR A 45 -9.757 -6.482 15.515 1.00 31.11 H new ATOM 0 HG23 THR A 45 -8.802 -6.928 16.949 1.00 31.11 H new ATOM 635 N LYS A 46 -6.715 -4.951 12.901 1.00 1.12 N ATOM 636 CA LYS A 46 -5.960 -4.118 11.973 1.00 51.00 C ATOM 637 C LYS A 46 -6.852 -3.615 10.843 1.00 3.13 C ATOM 638 O LYS A 46 -7.572 -4.391 10.215 1.00 4.23 O ATOM 639 CB LYS A 46 -4.780 -4.903 11.395 1.00 1.01 C ATOM 640 CG LYS A 46 -5.176 -6.240 10.792 1.00 25.14 C ATOM 641 CD LYS A 46 -4.431 -7.391 11.447 1.00 62.43 C ATOM 642 CE LYS A 46 -2.980 -7.443 10.996 1.00 22.34 C ATOM 643 NZ LYS A 46 -2.544 -8.835 10.693 1.00 44.41 N ATOM 0 H LYS A 46 -7.671 -5.150 12.606 1.00 1.12 H new ATOM 0 HA LYS A 46 -5.581 -3.257 12.523 1.00 51.00 H new ATOM 0 HB2 LYS A 46 -4.292 -4.299 10.630 1.00 1.01 H new ATOM 0 HB3 LYS A 46 -4.046 -5.072 12.183 1.00 1.01 H new ATOM 0 HG2 LYS A 46 -6.250 -6.388 10.907 1.00 25.14 H new ATOM 0 HG3 LYS A 46 -4.968 -6.233 9.722 1.00 25.14 H new ATOM 0 HD2 LYS A 46 -4.473 -7.283 12.531 1.00 62.43 H new ATOM 0 HD3 LYS A 46 -4.924 -8.332 11.201 1.00 62.43 H new ATOM 0 HE2 LYS A 46 -2.852 -6.821 10.110 1.00 22.34 H new ATOM 0 HE3 LYS A 46 -2.342 -7.024 11.774 1.00 22.34 H new ATOM 0 HZ1 LYS A 46 -1.549 -8.829 10.389 1.00 44.41 H new ATOM 0 HZ2 LYS A 46 -2.642 -9.423 11.545 1.00 44.41 H new ATOM 0 HZ3 LYS A 46 -3.136 -9.226 9.933 1.00 44.41 H new ATOM 657 N VAL A 47 -6.798 -2.311 10.587 1.00 34.54 N ATOM 658 CA VAL A 47 -7.600 -1.706 9.531 1.00 41.20 C ATOM 659 C VAL A 47 -6.972 -1.942 8.161 1.00 65.45 C ATOM 660 O VAL A 47 -6.176 -1.134 7.683 1.00 61.11 O ATOM 661 CB VAL A 47 -7.767 -0.190 9.752 1.00 33.24 C ATOM 662 CG1 VAL A 47 -8.570 0.430 8.619 1.00 14.35 C ATOM 663 CG2 VAL A 47 -8.428 0.081 11.095 1.00 50.53 C ATOM 0 H VAL A 47 -6.207 -1.654 11.097 1.00 34.54 H new ATOM 0 HA VAL A 47 -8.580 -2.181 9.566 1.00 41.20 H new ATOM 0 HB VAL A 47 -6.779 0.270 9.758 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -8.677 1.501 8.793 1.00 14.35 H new ATOM 0 HG12 VAL A 47 -8.052 0.266 7.674 1.00 14.35 H new ATOM 0 HG13 VAL A 47 -9.557 -0.032 8.577 1.00 14.35 H new ATOM 0 HG21 VAL A 47 -8.539 1.156 11.236 1.00 50.53 H new ATOM 0 HG22 VAL A 47 -9.410 -0.391 11.119 1.00 50.53 H new ATOM 0 HG23 VAL A 47 -7.809 -0.328 11.894 1.00 50.53 H new ATOM 673 N THR A 48 -7.338 -3.056 7.533 1.00 63.24 N ATOM 674 CA THR A 48 -6.811 -3.400 6.219 1.00 43.01 C ATOM 675 C THR A 48 -7.231 -2.373 5.173 1.00 20.53 C ATOM 676 O THR A 48 -6.449 -2.015 4.292 1.00 34.13 O ATOM 677 CB THR A 48 -7.285 -4.795 5.772 1.00 3.54 C ATOM 678 OG1 THR A 48 -6.816 -5.789 6.690 1.00 13.04 O ATOM 679 CG2 THR A 48 -6.784 -5.114 4.371 1.00 60.51 C ATOM 0 H THR A 48 -7.997 -3.735 7.914 1.00 63.24 H new ATOM 0 HA THR A 48 -5.724 -3.404 6.305 1.00 43.01 H new ATOM 0 HB THR A 48 -8.375 -4.798 5.760 1.00 3.54 H new ATOM 0 HG1 THR A 48 -7.123 -6.673 6.400 1.00 13.04 H new ATOM 0 HG21 THR A 48 -7.131 -6.104 4.077 1.00 60.51 H new ATOM 0 HG22 THR A 48 -7.167 -4.372 3.670 1.00 60.51 H new ATOM 0 HG23 THR A 48 -5.694 -5.094 4.361 1.00 60.51 H new ATOM 687 N SER A 49 -8.470 -1.903 5.275 1.00 70.32 N ATOM 688 CA SER A 49 -8.995 -0.919 4.336 1.00 52.31 C ATOM 689 C SER A 49 -9.595 0.272 5.075 1.00 53.43 C ATOM 690 O SER A 49 -10.144 0.127 6.167 1.00 11.33 O ATOM 691 CB SER A 49 -10.050 -1.558 3.433 1.00 24.13 C ATOM 692 OG SER A 49 -9.896 -1.136 2.089 1.00 23.54 O ATOM 0 H SER A 49 -9.129 -2.188 5.999 1.00 70.32 H new ATOM 0 HA SER A 49 -8.168 -0.563 3.721 1.00 52.31 H new ATOM 0 HB2 SER A 49 -9.970 -2.644 3.488 1.00 24.13 H new ATOM 0 HB3 SER A 49 -11.046 -1.293 3.789 1.00 24.13 H new ATOM 0 HG SER A 49 -10.582 -1.560 1.532 1.00 23.54 H new ATOM 698 N ALA A 50 -9.485 1.452 4.471 1.00 73.42 N ATOM 699 CA ALA A 50 -10.018 2.669 5.071 1.00 24.45 C ATOM 700 C ALA A 50 -10.536 3.626 4.002 1.00 33.14 C ATOM 701 O ALA A 50 -9.840 3.919 3.029 1.00 65.23 O ATOM 702 CB ALA A 50 -8.955 3.349 5.919 1.00 32.42 C ATOM 0 H ALA A 50 -9.032 1.590 3.568 1.00 73.42 H new ATOM 0 HA ALA A 50 -10.855 2.392 5.711 1.00 24.45 H new ATOM 0 HB1 ALA A 50 -9.367 4.256 6.361 1.00 32.42 H new ATOM 0 HB2 ALA A 50 -8.634 2.673 6.712 1.00 32.42 H new ATOM 0 HB3 ALA A 50 -8.100 3.606 5.294 1.00 32.42 H new ATOM 708 N TRP A 51 -11.760 4.107 4.188 1.00 32.24 N ATOM 709 CA TRP A 51 -12.370 5.030 3.238 1.00 63.10 C ATOM 710 C TRP A 51 -12.905 6.268 3.950 1.00 41.32 C ATOM 711 O TRP A 51 -13.423 6.181 5.064 1.00 11.23 O ATOM 712 CB TRP A 51 -13.501 4.336 2.477 1.00 20.11 C ATOM 713 CG TRP A 51 -14.479 3.639 3.372 1.00 23.53 C ATOM 714 CD1 TRP A 51 -15.489 4.215 4.090 1.00 14.11 C ATOM 715 CD2 TRP A 51 -14.541 2.234 3.646 1.00 52.14 C ATOM 716 NE1 TRP A 51 -16.173 3.253 4.794 1.00 44.14 N ATOM 717 CE2 TRP A 51 -15.612 2.030 4.538 1.00 3.03 C ATOM 718 CE3 TRP A 51 -13.797 1.130 3.223 1.00 1.01 C ATOM 719 CZ2 TRP A 51 -15.954 0.767 5.013 1.00 54.20 C ATOM 720 CZ3 TRP A 51 -14.137 -0.123 3.696 1.00 1.23 C ATOM 721 CH2 TRP A 51 -15.208 -0.297 4.582 1.00 64.45 C ATOM 0 H TRP A 51 -12.349 3.873 4.987 1.00 32.24 H new ATOM 0 HA TRP A 51 -11.603 5.344 2.530 1.00 63.10 H new ATOM 0 HB2 TRP A 51 -14.032 5.075 1.876 1.00 20.11 H new ATOM 0 HB3 TRP A 51 -13.072 3.611 1.785 1.00 20.11 H new ATOM 0 HD1 TRP A 51 -15.716 5.271 4.102 1.00 14.11 H new ATOM 0 HE1 TRP A 51 -16.970 3.422 5.408 1.00 44.14 H new ATOM 0 HE3 TRP A 51 -12.971 1.254 2.539 1.00 1.01 H new ATOM 0 HZ2 TRP A 51 -16.779 0.631 5.697 1.00 54.20 H new ATOM 0 HZ3 TRP A 51 -13.567 -0.983 3.377 1.00 1.23 H new ATOM 0 HH2 TRP A 51 -15.450 -1.290 4.932 1.00 64.45 H new ATOM 732 N ASP A 52 -12.775 7.420 3.300 1.00 64.40 N ATOM 733 CA ASP A 52 -13.248 8.676 3.872 1.00 53.40 C ATOM 734 C ASP A 52 -12.475 9.020 5.142 1.00 25.14 C ATOM 735 O ASP A 52 -12.894 9.874 5.922 1.00 71.34 O ATOM 736 CB ASP A 52 -14.744 8.593 4.176 1.00 35.22 C ATOM 737 CG ASP A 52 -15.491 9.845 3.758 1.00 73.42 C ATOM 738 OD1 ASP A 52 -14.907 10.944 3.856 1.00 72.33 O ATOM 739 OD2 ASP A 52 -16.658 9.724 3.333 1.00 51.45 O ATOM 0 H ASP A 52 -12.347 7.510 2.379 1.00 64.40 H new ATOM 0 HA ASP A 52 -13.079 9.466 3.140 1.00 53.40 H new ATOM 0 HB2 ASP A 52 -15.169 7.731 3.661 1.00 35.22 H new ATOM 0 HB3 ASP A 52 -14.886 8.428 5.244 1.00 35.22 H new ATOM 744 N ALA A 53 -11.347 8.347 5.341 1.00 61.53 N ATOM 745 CA ALA A 53 -10.516 8.582 6.517 1.00 12.12 C ATOM 746 C ALA A 53 -9.197 7.822 6.417 1.00 23.43 C ATOM 747 O ALA A 53 -9.182 6.595 6.318 1.00 13.34 O ATOM 748 CB ALA A 53 -11.264 8.182 7.780 1.00 13.03 C ATOM 0 H ALA A 53 -10.987 7.636 4.705 1.00 61.53 H new ATOM 0 HA ALA A 53 -10.289 9.647 6.565 1.00 12.12 H new ATOM 0 HB1 ALA A 53 -10.632 8.363 8.650 1.00 13.03 H new ATOM 0 HB2 ALA A 53 -12.176 8.773 7.865 1.00 13.03 H new ATOM 0 HB3 ALA A 53 -11.520 7.124 7.731 1.00 13.03 H new ATOM 754 N THR A 54 -8.091 8.559 6.444 1.00 2.01 N ATOM 755 CA THR A 54 -6.768 7.955 6.355 1.00 42.52 C ATOM 756 C THR A 54 -6.337 7.373 7.697 1.00 5.31 C ATOM 757 O THR A 54 -5.994 8.109 8.623 1.00 11.15 O ATOM 758 CB THR A 54 -5.714 8.979 5.890 1.00 23.54 C ATOM 759 OG1 THR A 54 -6.035 9.450 4.577 1.00 64.41 O ATOM 760 CG2 THR A 54 -4.324 8.360 5.887 1.00 60.22 C ATOM 0 H THR A 54 -8.086 9.576 6.527 1.00 2.01 H new ATOM 0 HA THR A 54 -6.835 7.153 5.620 1.00 42.52 H new ATOM 0 HB THR A 54 -5.720 9.817 6.587 1.00 23.54 H new ATOM 0 HG1 THR A 54 -5.362 10.101 4.289 1.00 64.41 H new ATOM 0 HG21 THR A 54 -3.596 9.101 5.555 1.00 60.22 H new ATOM 0 HG22 THR A 54 -4.071 8.029 6.894 1.00 60.22 H new ATOM 0 HG23 THR A 54 -4.307 7.507 5.209 1.00 60.22 H new ATOM 768 N VAL A 55 -6.358 6.048 7.795 1.00 64.24 N ATOM 769 CA VAL A 55 -5.968 5.367 9.024 1.00 51.22 C ATOM 770 C VAL A 55 -4.496 4.974 8.991 1.00 12.22 C ATOM 771 O VAL A 55 -3.981 4.539 7.960 1.00 14.32 O ATOM 772 CB VAL A 55 -6.820 4.105 9.261 1.00 62.12 C ATOM 773 CG1 VAL A 55 -6.588 3.560 10.662 1.00 1.21 C ATOM 774 CG2 VAL A 55 -8.293 4.408 9.035 1.00 61.32 C ATOM 0 H VAL A 55 -6.641 5.425 7.039 1.00 64.24 H new ATOM 0 HA VAL A 55 -6.135 6.068 9.841 1.00 51.22 H new ATOM 0 HB VAL A 55 -6.515 3.341 8.545 1.00 62.12 H new ATOM 0 HG11 VAL A 55 -7.198 2.669 10.811 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -5.535 3.304 10.783 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -6.864 4.316 11.397 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -8.880 3.506 9.207 1.00 61.32 H new ATOM 0 HG22 VAL A 55 -8.614 5.187 9.726 1.00 61.32 H new ATOM 0 HG23 VAL A 55 -8.441 4.748 8.010 1.00 61.32 H new ATOM 784 N THR A 56 -3.821 5.129 10.126 1.00 42.54 N ATOM 785 CA THR A 56 -2.407 4.792 10.227 1.00 32.35 C ATOM 786 C THR A 56 -2.145 3.867 11.411 1.00 45.12 C ATOM 787 O THR A 56 -2.753 4.015 12.471 1.00 25.14 O ATOM 788 CB THR A 56 -1.536 6.053 10.373 1.00 45.33 C ATOM 789 OG1 THR A 56 -1.577 6.819 9.164 1.00 13.34 O ATOM 790 CG2 THR A 56 -0.097 5.684 10.699 1.00 5.41 C ATOM 0 H THR A 56 -4.232 5.486 10.989 1.00 42.54 H new ATOM 0 HA THR A 56 -2.139 4.280 9.303 1.00 32.35 H new ATOM 0 HB THR A 56 -1.934 6.649 11.194 1.00 45.33 H new ATOM 0 HG1 THR A 56 -1.022 7.620 9.265 1.00 13.34 H new ATOM 0 HG21 THR A 56 0.498 6.592 10.797 1.00 5.41 H new ATOM 0 HG22 THR A 56 -0.067 5.128 11.636 1.00 5.41 H new ATOM 0 HG23 THR A 56 0.311 5.068 9.898 1.00 5.41 H new ATOM 798 N ASN A 57 -1.237 2.916 11.225 1.00 23.02 N ATOM 799 CA ASN A 57 -0.895 1.968 12.279 1.00 41.32 C ATOM 800 C ASN A 57 0.501 2.245 12.827 1.00 10.02 C ATOM 801 O ASN A 57 1.341 2.833 12.146 1.00 72.13 O ATOM 802 CB ASN A 57 -0.973 0.535 11.749 1.00 32.25 C ATOM 803 CG ASN A 57 0.323 0.087 11.102 1.00 0.13 C ATOM 804 OD1 ASN A 57 0.555 0.332 9.918 1.00 35.41 O ATOM 805 ND2 ASN A 57 1.175 -0.573 11.879 1.00 4.25 N ATOM 0 H ASN A 57 -0.724 2.781 10.354 1.00 23.02 H new ATOM 0 HA ASN A 57 -1.614 2.088 13.089 1.00 41.32 H new ATOM 0 HB2 ASN A 57 -1.219 -0.140 12.569 1.00 32.25 H new ATOM 0 HB3 ASN A 57 -1.783 0.463 11.023 1.00 32.25 H new ATOM 0 HD21 ASN A 57 2.064 -0.899 11.499 1.00 4.25 H new ATOM 0 HD22 ASN A 57 0.940 -0.753 12.855 1.00 4.25 H new ATOM 812 N SER A 58 0.742 1.815 14.062 1.00 41.33 N ATOM 813 CA SER A 58 2.036 2.019 14.703 1.00 63.44 C ATOM 814 C SER A 58 2.227 1.046 15.862 1.00 22.21 C ATOM 815 O SER A 58 1.941 1.370 17.015 1.00 11.22 O ATOM 816 CB SER A 58 2.157 3.459 15.207 1.00 11.21 C ATOM 817 OG SER A 58 2.908 4.253 14.305 1.00 24.15 O ATOM 0 H SER A 58 0.059 1.324 14.638 1.00 41.33 H new ATOM 0 HA SER A 58 2.814 1.833 13.963 1.00 63.44 H new ATOM 0 HB2 SER A 58 1.163 3.888 15.334 1.00 11.21 H new ATOM 0 HB3 SER A 58 2.634 3.466 16.187 1.00 11.21 H new ATOM 0 HG SER A 58 2.643 4.043 13.385 1.00 24.15 H new ATOM 823 N GLY A 59 2.712 -0.151 15.547 1.00 15.01 N ATOM 824 CA GLY A 59 2.933 -1.155 16.572 1.00 13.02 C ATOM 825 C GLY A 59 1.638 -1.735 17.105 1.00 10.43 C ATOM 826 O GLY A 59 1.119 -2.713 16.565 1.00 41.13 O ATOM 0 H GLY A 59 2.956 -0.444 14.601 1.00 15.01 H new ATOM 0 HA2 GLY A 59 3.546 -1.958 16.163 1.00 13.02 H new ATOM 0 HA3 GLY A 59 3.495 -0.712 17.395 1.00 13.02 H new ATOM 830 N ASP A 60 1.116 -1.133 18.168 1.00 45.22 N ATOM 831 CA ASP A 60 -0.127 -1.596 18.774 1.00 72.53 C ATOM 832 C ASP A 60 -1.133 -0.455 18.889 1.00 33.30 C ATOM 833 O ASP A 60 -2.179 -0.597 19.523 1.00 34.24 O ATOM 834 CB ASP A 60 0.147 -2.192 20.156 1.00 43.22 C ATOM 835 CG ASP A 60 -0.347 -3.620 20.279 1.00 43.24 C ATOM 836 OD1 ASP A 60 -1.533 -3.867 19.972 1.00 52.54 O ATOM 837 OD2 ASP A 60 0.452 -4.491 20.680 1.00 12.34 O ATOM 0 H ASP A 60 1.534 -0.324 18.628 1.00 45.22 H new ATOM 0 HA ASP A 60 -0.552 -2.367 18.131 1.00 72.53 H new ATOM 0 HB2 ASP A 60 1.218 -2.163 20.355 1.00 43.22 H new ATOM 0 HB3 ASP A 60 -0.335 -1.577 20.916 1.00 43.22 H new ATOM 842 N HIS A 61 -0.810 0.677 18.272 1.00 73.31 N ATOM 843 CA HIS A 61 -1.685 1.843 18.305 1.00 62.21 C ATOM 844 C HIS A 61 -2.068 2.276 16.893 1.00 75.33 C ATOM 845 O HIS A 61 -1.280 2.141 15.957 1.00 35.11 O ATOM 846 CB HIS A 61 -1.004 2.998 19.039 1.00 42.54 C ATOM 847 CG HIS A 61 -1.752 4.293 18.942 1.00 74.24 C ATOM 848 ND1 HIS A 61 -2.540 4.784 19.962 1.00 2.12 N ATOM 849 CD2 HIS A 61 -1.826 5.200 17.941 1.00 34.21 C ATOM 850 CE1 HIS A 61 -3.068 5.937 19.590 1.00 31.51 C ATOM 851 NE2 HIS A 61 -2.650 6.212 18.368 1.00 4.34 N ATOM 0 H HIS A 61 0.052 0.811 17.743 1.00 73.31 H new ATOM 0 HA HIS A 61 -2.594 1.569 18.840 1.00 62.21 H new ATOM 0 HB2 HIS A 61 -0.889 2.732 20.090 1.00 42.54 H new ATOM 0 HB3 HIS A 61 -0.002 3.135 18.633 1.00 42.54 H new ATOM 0 HD1 HIS A 61 -2.691 4.329 20.862 1.00 2.12 H new ATOM 0 HD2 HIS A 61 -1.329 5.139 16.984 1.00 34.21 H new ATOM 0 HE1 HIS A 61 -3.729 6.550 20.184 1.00 31.51 H new ATOM 859 N TRP A 62 -3.281 2.795 16.747 1.00 64.55 N ATOM 860 CA TRP A 62 -3.768 3.247 15.448 1.00 53.45 C ATOM 861 C TRP A 62 -4.335 4.660 15.541 1.00 32.11 C ATOM 862 O TRP A 62 -4.645 5.146 16.629 1.00 12.11 O ATOM 863 CB TRP A 62 -4.836 2.288 14.920 1.00 40.32 C ATOM 864 CG TRP A 62 -4.291 0.949 14.526 1.00 41.35 C ATOM 865 CD1 TRP A 62 -3.777 -0.003 15.358 1.00 74.55 C ATOM 866 CD2 TRP A 62 -4.202 0.417 13.200 1.00 24.52 C ATOM 867 NE1 TRP A 62 -3.375 -1.097 14.630 1.00 61.13 N ATOM 868 CE2 TRP A 62 -3.626 -0.865 13.304 1.00 40.23 C ATOM 869 CE3 TRP A 62 -4.556 0.895 11.936 1.00 52.41 C ATOM 870 CZ2 TRP A 62 -3.395 -1.670 12.191 1.00 41.05 C ATOM 871 CZ3 TRP A 62 -4.326 0.096 10.832 1.00 35.52 C ATOM 872 CH2 TRP A 62 -3.750 -1.176 10.966 1.00 65.13 C ATOM 0 H TRP A 62 -3.946 2.914 17.511 1.00 64.55 H new ATOM 0 HA TRP A 62 -2.926 3.259 14.755 1.00 53.45 H new ATOM 0 HB2 TRP A 62 -5.600 2.150 15.685 1.00 40.32 H new ATOM 0 HB3 TRP A 62 -5.326 2.741 14.058 1.00 40.32 H new ATOM 0 HD1 TRP A 62 -3.698 0.090 16.431 1.00 74.55 H new ATOM 0 HE1 TRP A 62 -2.957 -1.944 15.015 1.00 61.13 H new ATOM 0 HE3 TRP A 62 -5.002 1.872 11.823 1.00 52.41 H new ATOM 0 HZ2 TRP A 62 -2.951 -2.649 12.292 1.00 41.05 H new ATOM 0 HZ3 TRP A 62 -4.594 0.457 9.850 1.00 35.52 H new ATOM 0 HH2 TRP A 62 -3.584 -1.777 10.084 1.00 65.13 H new ATOM 883 N THR A 63 -4.469 5.315 14.392 1.00 14.22 N ATOM 884 CA THR A 63 -4.998 6.673 14.344 1.00 32.51 C ATOM 885 C THR A 63 -5.736 6.928 13.035 1.00 60.24 C ATOM 886 O THR A 63 -5.402 6.352 12.001 1.00 4.51 O ATOM 887 CB THR A 63 -3.878 7.718 14.501 1.00 33.30 C ATOM 888 OG1 THR A 63 -4.444 9.012 14.735 1.00 43.20 O ATOM 889 CG2 THR A 63 -2.998 7.760 13.260 1.00 64.42 C ATOM 0 H THR A 63 -4.219 4.927 13.482 1.00 14.22 H new ATOM 0 HA THR A 63 -5.695 6.771 15.176 1.00 32.51 H new ATOM 0 HB THR A 63 -3.262 7.432 15.354 1.00 33.30 H new ATOM 0 HG1 THR A 63 -3.725 9.670 14.835 1.00 43.20 H new ATOM 0 HG21 THR A 63 -2.214 8.505 13.395 1.00 64.42 H new ATOM 0 HG22 THR A 63 -2.545 6.781 13.102 1.00 64.42 H new ATOM 0 HG23 THR A 63 -3.604 8.023 12.393 1.00 64.42 H new ATOM 897 N ALA A 64 -6.741 7.797 13.089 1.00 0.23 N ATOM 898 CA ALA A 64 -7.526 8.131 11.906 1.00 53.21 C ATOM 899 C ALA A 64 -7.596 9.640 11.703 1.00 52.14 C ATOM 900 O ALA A 64 -7.945 10.385 12.620 1.00 2.15 O ATOM 901 CB ALA A 64 -8.925 7.545 12.018 1.00 63.00 C ATOM 0 H ALA A 64 -7.030 8.282 13.938 1.00 0.23 H new ATOM 0 HA ALA A 64 -7.032 7.697 11.037 1.00 53.21 H new ATOM 0 HB1 ALA A 64 -9.500 7.802 11.128 1.00 63.00 H new ATOM 0 HB2 ALA A 64 -8.859 6.461 12.107 1.00 63.00 H new ATOM 0 HB3 ALA A 64 -9.420 7.952 12.900 1.00 63.00 H new ATOM 907 N LYS A 65 -7.263 10.087 10.497 1.00 54.31 N ATOM 908 CA LYS A 65 -7.288 11.508 10.172 1.00 44.15 C ATOM 909 C LYS A 65 -7.784 11.732 8.748 1.00 43.11 C ATOM 910 O LYS A 65 -7.652 10.860 7.890 1.00 64.31 O ATOM 911 CB LYS A 65 -5.893 12.116 10.339 1.00 73.32 C ATOM 912 CG LYS A 65 -4.836 11.460 9.467 1.00 62.45 C ATOM 913 CD LYS A 65 -4.085 10.376 10.222 1.00 24.05 C ATOM 914 CE LYS A 65 -2.771 10.896 10.785 1.00 4.02 C ATOM 915 NZ LYS A 65 -1.695 10.914 9.755 1.00 65.41 N ATOM 0 H LYS A 65 -6.972 9.484 9.727 1.00 54.31 H new ATOM 0 HA LYS A 65 -7.976 12.000 10.859 1.00 44.15 H new ATOM 0 HB2 LYS A 65 -5.938 13.179 10.103 1.00 73.32 H new ATOM 0 HB3 LYS A 65 -5.593 12.034 11.384 1.00 73.32 H new ATOM 0 HG2 LYS A 65 -5.308 11.029 8.584 1.00 62.45 H new ATOM 0 HG3 LYS A 65 -4.132 12.215 9.117 1.00 62.45 H new ATOM 0 HD2 LYS A 65 -4.707 10.000 11.035 1.00 24.05 H new ATOM 0 HD3 LYS A 65 -3.889 9.536 9.555 1.00 24.05 H new ATOM 0 HE2 LYS A 65 -2.917 11.903 11.176 1.00 4.02 H new ATOM 0 HE3 LYS A 65 -2.462 10.271 11.622 1.00 4.02 H new ATOM 0 HZ1 LYS A 65 -0.816 11.275 10.178 1.00 65.41 H new ATOM 0 HZ2 LYS A 65 -1.538 9.949 9.400 1.00 65.41 H new ATOM 0 HZ3 LYS A 65 -1.979 11.531 8.967 1.00 65.41 H new ATOM 929 N ASN A 66 -8.355 12.907 8.502 1.00 74.23 N ATOM 930 CA ASN A 66 -8.871 13.245 7.181 1.00 53.55 C ATOM 931 C ASN A 66 -8.377 14.620 6.740 1.00 42.31 C ATOM 932 O ASN A 66 -7.843 14.777 5.642 1.00 55.15 O ATOM 933 CB ASN A 66 -10.400 13.217 7.185 1.00 23.04 C ATOM 934 CG ASN A 66 -10.984 13.331 5.789 1.00 15.13 C ATOM 935 OD1 ASN A 66 -10.393 13.951 4.906 1.00 44.02 O ATOM 936 ND2 ASN A 66 -12.150 12.729 5.586 1.00 3.13 N ATOM 0 H ASN A 66 -8.472 13.641 9.201 1.00 74.23 H new ATOM 0 HA ASN A 66 -8.503 12.502 6.473 1.00 53.55 H new ATOM 0 HB2 ASN A 66 -10.743 12.290 7.645 1.00 23.04 H new ATOM 0 HB3 ASN A 66 -10.774 14.035 7.800 1.00 23.04 H new ATOM 0 HD21 ASN A 66 -12.592 12.770 4.668 1.00 3.13 H new ATOM 0 HD22 ASN A 66 -12.604 12.226 6.348 1.00 3.13 H new ATOM 943 N VAL A 67 -8.560 15.613 7.604 1.00 41.55 N ATOM 944 CA VAL A 67 -8.132 16.975 7.306 1.00 2.34 C ATOM 945 C VAL A 67 -6.840 17.317 8.038 1.00 44.35 C ATOM 946 O VAL A 67 -6.670 18.433 8.529 1.00 72.42 O ATOM 947 CB VAL A 67 -9.216 18.001 7.690 1.00 32.15 C ATOM 948 CG1 VAL A 67 -9.318 19.090 6.634 1.00 4.53 C ATOM 949 CG2 VAL A 67 -10.556 17.309 7.888 1.00 42.33 C ATOM 0 H VAL A 67 -9.002 15.500 8.516 1.00 41.55 H new ATOM 0 HA VAL A 67 -7.960 17.025 6.231 1.00 2.34 H new ATOM 0 HB VAL A 67 -8.933 18.469 8.632 1.00 32.15 H new ATOM 0 HG11 VAL A 67 -10.088 19.805 6.922 1.00 4.53 H new ATOM 0 HG12 VAL A 67 -8.360 19.603 6.547 1.00 4.53 H new ATOM 0 HG13 VAL A 67 -9.578 18.643 5.675 1.00 4.53 H new ATOM 0 HG21 VAL A 67 -11.310 18.048 8.159 1.00 42.33 H new ATOM 0 HG22 VAL A 67 -10.849 16.813 6.963 1.00 42.33 H new ATOM 0 HG23 VAL A 67 -10.470 16.570 8.684 1.00 42.33 H new ATOM 959 N GLY A 68 -5.931 16.351 8.107 1.00 34.04 N ATOM 960 CA GLY A 68 -4.664 16.570 8.781 1.00 50.21 C ATOM 961 C GLY A 68 -3.690 17.370 7.938 1.00 75.50 C ATOM 962 O GLY A 68 -2.570 17.647 8.368 1.00 1.22 O ATOM 0 H GLY A 68 -6.049 15.420 7.708 1.00 34.04 H new ATOM 0 HA2 GLY A 68 -4.841 17.093 9.721 1.00 50.21 H new ATOM 0 HA3 GLY A 68 -4.218 15.607 9.031 1.00 50.21 H new ATOM 966 N TRP A 69 -4.115 17.738 6.735 1.00 41.24 N ATOM 967 CA TRP A 69 -3.271 18.509 5.829 1.00 34.02 C ATOM 968 C TRP A 69 -3.845 19.903 5.603 1.00 61.41 C ATOM 969 O TRP A 69 -3.107 20.856 5.356 1.00 11.14 O ATOM 970 CB TRP A 69 -3.125 17.781 4.492 1.00 12.13 C ATOM 971 CG TRP A 69 -4.356 17.030 4.087 1.00 24.34 C ATOM 972 CD1 TRP A 69 -4.654 15.728 4.376 1.00 2.43 C ATOM 973 CD2 TRP A 69 -5.454 17.533 3.320 1.00 5.52 C ATOM 974 NE1 TRP A 69 -5.871 15.393 3.833 1.00 21.13 N ATOM 975 CE2 TRP A 69 -6.384 16.483 3.181 1.00 54.35 C ATOM 976 CE3 TRP A 69 -5.745 18.770 2.737 1.00 3.23 C ATOM 977 CZ2 TRP A 69 -7.578 16.634 2.483 1.00 62.42 C ATOM 978 CZ3 TRP A 69 -6.932 18.918 2.045 1.00 51.20 C ATOM 979 CH2 TRP A 69 -7.837 17.856 1.923 1.00 22.13 C ATOM 0 H TRP A 69 -5.039 17.515 6.364 1.00 41.24 H new ATOM 0 HA TRP A 69 -2.288 18.612 6.288 1.00 34.02 H new ATOM 0 HB2 TRP A 69 -2.879 18.506 3.717 1.00 12.13 H new ATOM 0 HB3 TRP A 69 -2.288 17.086 4.555 1.00 12.13 H new ATOM 0 HD1 TRP A 69 -4.026 15.061 4.947 1.00 2.43 H new ATOM 0 HE1 TRP A 69 -6.320 14.480 3.904 1.00 21.13 H new ATOM 0 HE3 TRP A 69 -5.054 19.595 2.826 1.00 3.23 H new ATOM 0 HZ2 TRP A 69 -8.276 15.816 2.386 1.00 62.42 H new ATOM 0 HZ3 TRP A 69 -7.166 19.869 1.590 1.00 51.20 H new ATOM 0 HH2 TRP A 69 -8.757 18.004 1.377 1.00 22.13 H new ATOM 990 N ASN A 70 -5.166 20.015 5.691 1.00 44.04 N ATOM 991 CA ASN A 70 -5.839 21.294 5.495 1.00 71.42 C ATOM 992 C ASN A 70 -6.289 21.882 6.830 1.00 24.43 C ATOM 993 O ASN A 70 -6.171 23.084 7.062 1.00 60.23 O ATOM 994 CB ASN A 70 -7.044 21.124 4.569 1.00 4.23 C ATOM 995 CG ASN A 70 -6.832 21.780 3.219 1.00 3.00 C ATOM 996 OD1 ASN A 70 -5.701 21.919 2.754 1.00 53.32 O ATOM 997 ND2 ASN A 70 -7.924 22.188 2.581 1.00 34.24 N ATOM 0 H ASN A 70 -5.792 19.236 5.897 1.00 44.04 H new ATOM 0 HA ASN A 70 -5.130 21.982 5.035 1.00 71.42 H new ATOM 0 HB2 ASN A 70 -7.242 20.062 4.427 1.00 4.23 H new ATOM 0 HB3 ASN A 70 -7.927 21.552 5.044 1.00 4.23 H new ATOM 0 HD21 ASN A 70 -7.844 22.637 1.668 1.00 34.24 H new ATOM 0 HD22 ASN A 70 -8.842 22.053 3.004 1.00 34.24 H new ATOM 1004 N GLY A 71 -6.805 21.023 7.704 1.00 60.33 N ATOM 1005 CA GLY A 71 -7.265 21.475 9.005 1.00 71.04 C ATOM 1006 C GLY A 71 -8.209 22.657 8.908 1.00 24.43 C ATOM 1007 O GLY A 71 -7.985 23.695 9.531 1.00 74.10 O ATOM 0 H GLY A 71 -6.913 20.023 7.535 1.00 60.33 H new ATOM 0 HA2 GLY A 71 -7.768 20.653 9.515 1.00 71.04 H new ATOM 0 HA3 GLY A 71 -6.405 21.750 9.616 1.00 71.04 H new ATOM 1011 N THR A 72 -9.269 22.502 8.122 1.00 24.25 N ATOM 1012 CA THR A 72 -10.251 23.565 7.942 1.00 72.32 C ATOM 1013 C THR A 72 -11.668 23.049 8.167 1.00 34.04 C ATOM 1014 O THR A 72 -12.296 22.512 7.253 1.00 73.52 O ATOM 1015 CB THR A 72 -10.159 24.182 6.534 1.00 75.13 C ATOM 1016 OG1 THR A 72 -11.279 25.042 6.303 1.00 3.13 O ATOM 1017 CG2 THR A 72 -10.115 23.097 5.469 1.00 44.44 C ATOM 0 H THR A 72 -9.470 21.650 7.599 1.00 24.25 H new ATOM 0 HA THR A 72 -10.025 24.332 8.682 1.00 72.32 H new ATOM 0 HB THR A 72 -9.238 24.762 6.474 1.00 75.13 H new ATOM 0 HG1 THR A 72 -11.213 25.432 5.406 1.00 3.13 H new ATOM 0 HG21 THR A 72 -10.050 23.557 4.483 1.00 44.44 H new ATOM 0 HG22 THR A 72 -9.243 22.463 5.631 1.00 44.44 H new ATOM 0 HG23 THR A 72 -11.020 22.492 5.528 1.00 44.44 H new ATOM 1025 N LEU A 73 -12.166 23.215 9.387 1.00 23.12 N ATOM 1026 CA LEU A 73 -13.511 22.767 9.731 1.00 41.44 C ATOM 1027 C LEU A 73 -14.230 23.807 10.585 1.00 24.10 C ATOM 1028 O LEU A 73 -13.598 24.673 11.189 1.00 42.51 O ATOM 1029 CB LEU A 73 -13.450 21.433 10.477 1.00 21.34 C ATOM 1030 CG LEU A 73 -14.681 20.534 10.347 1.00 52.14 C ATOM 1031 CD1 LEU A 73 -14.268 19.073 10.259 1.00 70.20 C ATOM 1032 CD2 LEU A 73 -15.627 20.754 11.517 1.00 72.33 C ATOM 0 H LEU A 73 -11.659 23.656 10.154 1.00 23.12 H new ATOM 0 HA LEU A 73 -14.071 22.634 8.805 1.00 41.44 H new ATOM 0 HB2 LEU A 73 -12.581 20.880 10.120 1.00 21.34 H new ATOM 0 HB3 LEU A 73 -13.285 21.638 11.535 1.00 21.34 H new ATOM 0 HG LEU A 73 -15.205 20.797 9.428 1.00 52.14 H new ATOM 0 HD11 LEU A 73 -15.157 18.449 10.167 1.00 70.20 H new ATOM 0 HD12 LEU A 73 -13.630 18.927 9.387 1.00 70.20 H new ATOM 0 HD13 LEU A 73 -13.721 18.795 11.160 1.00 70.20 H new ATOM 0 HD21 LEU A 73 -16.497 20.106 11.408 1.00 72.33 H new ATOM 0 HD22 LEU A 73 -15.114 20.518 12.449 1.00 72.33 H new ATOM 0 HD23 LEU A 73 -15.949 21.795 11.533 1.00 72.33 H new ATOM 1044 N ALA A 74 -15.555 23.714 10.632 1.00 1.33 N ATOM 1045 CA ALA A 74 -16.359 24.644 11.414 1.00 25.21 C ATOM 1046 C ALA A 74 -16.457 24.195 12.868 1.00 71.10 C ATOM 1047 O ALA A 74 -16.211 23.037 13.204 1.00 55.21 O ATOM 1048 CB ALA A 74 -17.748 24.781 10.807 1.00 20.55 C ATOM 0 H ALA A 74 -16.094 23.003 10.137 1.00 1.33 H new ATOM 0 HA ALA A 74 -15.868 25.617 11.393 1.00 25.21 H new ATOM 0 HB1 ALA A 74 -18.338 25.479 11.402 1.00 20.55 H new ATOM 0 HB2 ALA A 74 -17.664 25.155 9.787 1.00 20.55 H new ATOM 0 HB3 ALA A 74 -18.239 23.808 10.798 1.00 20.55 H new ATOM 1054 N PRO A 75 -16.826 25.132 13.754 1.00 62.12 N ATOM 1055 CA PRO A 75 -16.965 24.856 15.187 1.00 51.34 C ATOM 1056 C PRO A 75 -18.160 23.959 15.492 1.00 3.53 C ATOM 1057 O PRO A 75 -18.335 23.504 16.620 1.00 30.43 O ATOM 1058 CB PRO A 75 -17.170 26.245 15.797 1.00 40.45 C ATOM 1059 CG PRO A 75 -17.745 27.063 14.693 1.00 24.42 C ATOM 1060 CD PRO A 75 -17.137 26.534 13.424 1.00 54.12 C ATOM 0 HA PRO A 75 -16.101 24.323 15.585 1.00 51.34 H new ATOM 0 HB2 PRO A 75 -17.844 26.206 16.653 1.00 40.45 H new ATOM 0 HB3 PRO A 75 -16.228 26.665 16.151 1.00 40.45 H new ATOM 0 HG2 PRO A 75 -18.831 26.978 14.670 1.00 24.42 H new ATOM 0 HG3 PRO A 75 -17.511 28.119 14.827 1.00 24.42 H new ATOM 0 HD2 PRO A 75 -17.830 26.605 12.586 1.00 54.12 H new ATOM 0 HD3 PRO A 75 -16.242 27.090 13.145 1.00 54.12 H new ATOM 1068 N GLY A 76 -18.981 23.708 14.475 1.00 54.43 N ATOM 1069 CA GLY A 76 -20.148 22.865 14.655 1.00 42.45 C ATOM 1070 C GLY A 76 -20.479 22.061 13.414 1.00 45.34 C ATOM 1071 O GLY A 76 -20.823 22.624 12.374 1.00 71.25 O ATOM 0 H GLY A 76 -18.858 24.074 13.531 1.00 54.43 H new ATOM 0 HA2 GLY A 76 -19.976 22.185 15.489 1.00 42.45 H new ATOM 0 HA3 GLY A 76 -21.003 23.486 14.921 1.00 42.45 H new ATOM 1075 N ALA A 77 -20.375 20.741 13.521 1.00 35.32 N ATOM 1076 CA ALA A 77 -20.666 19.857 12.399 1.00 42.43 C ATOM 1077 C ALA A 77 -20.467 18.396 12.785 1.00 13.44 C ATOM 1078 O ALA A 77 -19.971 18.092 13.869 1.00 71.43 O ATOM 1079 CB ALA A 77 -19.792 20.214 11.206 1.00 70.11 C ATOM 0 H ALA A 77 -20.091 20.259 14.374 1.00 35.32 H new ATOM 0 HA ALA A 77 -21.712 19.993 12.123 1.00 42.43 H new ATOM 0 HB1 ALA A 77 -20.020 19.546 10.375 1.00 70.11 H new ATOM 0 HB2 ALA A 77 -19.987 21.244 10.907 1.00 70.11 H new ATOM 0 HB3 ALA A 77 -18.742 20.108 11.479 1.00 70.11 H new ATOM 1085 N SER A 78 -20.856 17.494 11.890 1.00 30.02 N ATOM 1086 CA SER A 78 -20.725 16.063 12.139 1.00 11.04 C ATOM 1087 C SER A 78 -20.006 15.374 10.982 1.00 24.13 C ATOM 1088 O SER A 78 -20.346 15.577 9.816 1.00 1.31 O ATOM 1089 CB SER A 78 -22.103 15.431 12.347 1.00 54.41 C ATOM 1090 OG SER A 78 -23.096 16.120 11.609 1.00 60.04 O ATOM 0 H SER A 78 -21.265 17.729 10.985 1.00 30.02 H new ATOM 0 HA SER A 78 -20.132 15.930 13.044 1.00 11.04 H new ATOM 0 HB2 SER A 78 -22.077 14.385 12.040 1.00 54.41 H new ATOM 0 HB3 SER A 78 -22.357 15.446 13.407 1.00 54.41 H new ATOM 0 HG SER A 78 -23.967 15.696 11.757 1.00 60.04 H new ATOM 1096 N VAL A 79 -19.011 14.558 11.313 1.00 32.30 N ATOM 1097 CA VAL A 79 -18.245 13.837 10.304 1.00 50.33 C ATOM 1098 C VAL A 79 -18.072 12.372 10.688 1.00 0.52 C ATOM 1099 O VAL A 79 -17.492 12.056 11.726 1.00 41.45 O ATOM 1100 CB VAL A 79 -16.856 14.470 10.096 1.00 24.02 C ATOM 1101 CG1 VAL A 79 -16.974 15.773 9.319 1.00 52.35 C ATOM 1102 CG2 VAL A 79 -16.169 14.697 11.433 1.00 74.44 C ATOM 0 H VAL A 79 -18.716 14.380 12.273 1.00 32.30 H new ATOM 0 HA VAL A 79 -18.808 13.901 9.373 1.00 50.33 H new ATOM 0 HB VAL A 79 -16.245 13.781 9.512 1.00 24.02 H new ATOM 0 HG11 VAL A 79 -15.983 16.206 9.182 1.00 52.35 H new ATOM 0 HG12 VAL A 79 -17.422 15.577 8.345 1.00 52.35 H new ATOM 0 HG13 VAL A 79 -17.601 16.471 9.873 1.00 52.35 H new ATOM 0 HG21 VAL A 79 -15.189 15.145 11.267 1.00 74.44 H new ATOM 0 HG22 VAL A 79 -16.775 15.366 12.044 1.00 74.44 H new ATOM 0 HG23 VAL A 79 -16.050 13.743 11.947 1.00 74.44 H new ATOM 1112 N SER A 80 -18.579 11.480 9.842 1.00 54.43 N ATOM 1113 CA SER A 80 -18.482 10.047 10.094 1.00 71.24 C ATOM 1114 C SER A 80 -17.661 9.359 9.008 1.00 34.54 C ATOM 1115 O SER A 80 -17.836 9.625 7.818 1.00 61.55 O ATOM 1116 CB SER A 80 -19.878 9.426 10.165 1.00 22.31 C ATOM 1117 OG SER A 80 -20.765 10.247 10.904 1.00 44.33 O ATOM 0 H SER A 80 -19.061 11.725 8.977 1.00 54.43 H new ATOM 0 HA SER A 80 -17.979 9.904 11.050 1.00 71.24 H new ATOM 0 HB2 SER A 80 -20.266 9.281 9.157 1.00 22.31 H new ATOM 0 HB3 SER A 80 -19.818 8.441 10.628 1.00 22.31 H new ATOM 0 HG SER A 80 -21.651 9.829 10.933 1.00 44.33 H new ATOM 1123 N PHE A 81 -16.764 8.471 9.426 1.00 60.44 N ATOM 1124 CA PHE A 81 -15.914 7.745 8.491 1.00 23.14 C ATOM 1125 C PHE A 81 -15.950 6.246 8.776 1.00 41.20 C ATOM 1126 O PHE A 81 -15.990 5.823 9.930 1.00 74.11 O ATOM 1127 CB PHE A 81 -14.475 8.257 8.572 1.00 32.32 C ATOM 1128 CG PHE A 81 -13.758 7.833 9.822 1.00 72.45 C ATOM 1129 CD1 PHE A 81 -13.090 6.621 9.877 1.00 13.11 C ATOM 1130 CD2 PHE A 81 -13.752 8.648 10.943 1.00 70.44 C ATOM 1131 CE1 PHE A 81 -12.430 6.228 11.026 1.00 61.42 C ATOM 1132 CE2 PHE A 81 -13.094 8.261 12.095 1.00 51.44 C ATOM 1133 CZ PHE A 81 -12.431 7.051 12.137 1.00 20.31 C ATOM 0 H PHE A 81 -16.608 8.237 10.407 1.00 60.44 H new ATOM 0 HA PHE A 81 -16.296 7.915 7.484 1.00 23.14 H new ATOM 0 HB2 PHE A 81 -13.921 7.898 7.705 1.00 32.32 H new ATOM 0 HB3 PHE A 81 -14.481 9.346 8.518 1.00 32.32 H new ATOM 0 HD1 PHE A 81 -13.085 5.975 9.011 1.00 13.11 H new ATOM 0 HD2 PHE A 81 -14.268 9.597 10.916 1.00 70.44 H new ATOM 0 HE1 PHE A 81 -11.914 5.280 11.056 1.00 61.42 H new ATOM 0 HE2 PHE A 81 -13.099 8.905 12.962 1.00 51.44 H new ATOM 0 HZ PHE A 81 -11.914 6.748 13.036 1.00 20.31 H new ATOM 1143 N GLY A 82 -15.936 5.447 7.713 1.00 3.34 N ATOM 1144 CA GLY A 82 -15.968 4.004 7.868 1.00 53.13 C ATOM 1145 C GLY A 82 -14.704 3.338 7.361 1.00 24.34 C ATOM 1146 O GLY A 82 -13.940 3.936 6.605 1.00 54.33 O ATOM 0 H GLY A 82 -15.903 5.773 6.747 1.00 3.34 H new ATOM 0 HA2 GLY A 82 -16.108 3.758 8.921 1.00 53.13 H new ATOM 0 HA3 GLY A 82 -16.827 3.603 7.330 1.00 53.13 H new ATOM 1150 N PHE A 83 -14.483 2.096 7.779 1.00 23.23 N ATOM 1151 CA PHE A 83 -13.302 1.349 7.365 1.00 2.51 C ATOM 1152 C PHE A 83 -13.541 -0.153 7.477 1.00 35.52 C ATOM 1153 O PHE A 83 -14.605 -0.593 7.913 1.00 53.32 O ATOM 1154 CB PHE A 83 -12.094 1.750 8.214 1.00 64.10 C ATOM 1155 CG PHE A 83 -12.106 1.153 9.592 1.00 32.03 C ATOM 1156 CD1 PHE A 83 -11.532 -0.085 9.830 1.00 51.32 C ATOM 1157 CD2 PHE A 83 -12.691 1.830 10.650 1.00 42.21 C ATOM 1158 CE1 PHE A 83 -11.542 -0.637 11.096 1.00 72.35 C ATOM 1159 CE2 PHE A 83 -12.704 1.284 11.919 1.00 71.44 C ATOM 1160 CZ PHE A 83 -12.128 0.049 12.143 1.00 41.01 C ATOM 0 H PHE A 83 -15.107 1.586 8.404 1.00 23.23 H new ATOM 0 HA PHE A 83 -13.099 1.590 6.321 1.00 2.51 H new ATOM 0 HB2 PHE A 83 -11.182 1.444 7.702 1.00 64.10 H new ATOM 0 HB3 PHE A 83 -12.063 2.836 8.297 1.00 64.10 H new ATOM 0 HD1 PHE A 83 -11.071 -0.625 9.016 1.00 51.32 H new ATOM 0 HD2 PHE A 83 -13.142 2.796 10.481 1.00 42.21 H new ATOM 0 HE1 PHE A 83 -11.092 -1.604 11.268 1.00 72.35 H new ATOM 0 HE2 PHE A 83 -13.164 1.822 12.735 1.00 71.44 H new ATOM 0 HZ PHE A 83 -12.135 -0.380 13.134 1.00 41.01 H new ATOM 1170 N ASN A 84 -12.543 -0.938 7.082 1.00 44.54 N ATOM 1171 CA ASN A 84 -12.645 -2.391 7.138 1.00 35.13 C ATOM 1172 C ASN A 84 -11.391 -3.000 7.758 1.00 73.20 C ATOM 1173 O ASN A 84 -10.273 -2.721 7.327 1.00 62.33 O ATOM 1174 CB ASN A 84 -12.862 -2.963 5.734 1.00 63.24 C ATOM 1175 CG ASN A 84 -12.482 -4.428 5.642 1.00 41.22 C ATOM 1176 OD1 ASN A 84 -12.664 -5.189 6.592 1.00 61.24 O ATOM 1177 ND2 ASN A 84 -11.951 -4.829 4.493 1.00 4.41 N ATOM 0 H ASN A 84 -11.655 -0.591 6.720 1.00 44.54 H new ATOM 0 HA ASN A 84 -13.500 -2.647 7.764 1.00 35.13 H new ATOM 0 HB2 ASN A 84 -13.909 -2.844 5.454 1.00 63.24 H new ATOM 0 HB3 ASN A 84 -12.273 -2.392 5.017 1.00 63.24 H new ATOM 0 HD21 ASN A 84 -11.675 -5.803 4.371 1.00 4.41 H new ATOM 0 HD22 ASN A 84 -11.819 -4.163 3.732 1.00 4.41 H new ATOM 1184 N GLY A 85 -11.586 -3.837 8.773 1.00 64.34 N ATOM 1185 CA GLY A 85 -10.464 -4.473 9.437 1.00 54.21 C ATOM 1186 C GLY A 85 -10.688 -5.955 9.664 1.00 64.31 C ATOM 1187 O GLY A 85 -11.827 -6.404 9.797 1.00 14.53 O ATOM 0 H GLY A 85 -12.502 -4.086 9.147 1.00 64.34 H new ATOM 0 HA2 GLY A 85 -9.564 -4.332 8.838 1.00 54.21 H new ATOM 0 HA3 GLY A 85 -10.289 -3.984 10.395 1.00 54.21 H new ATOM 1191 N SER A 86 -9.600 -6.717 9.707 1.00 23.44 N ATOM 1192 CA SER A 86 -9.683 -8.158 9.914 1.00 21.44 C ATOM 1193 C SER A 86 -9.543 -8.504 11.393 1.00 1.11 C ATOM 1194 O SER A 86 -8.465 -8.378 11.971 1.00 71.04 O ATOM 1195 CB SER A 86 -8.600 -8.875 9.105 1.00 72.03 C ATOM 1196 OG SER A 86 -8.871 -10.263 9.008 1.00 41.44 O ATOM 0 H SER A 86 -8.650 -6.360 9.601 1.00 23.44 H new ATOM 0 HA SER A 86 -10.662 -8.493 9.572 1.00 21.44 H new ATOM 0 HB2 SER A 86 -8.541 -8.442 8.106 1.00 72.03 H new ATOM 0 HB3 SER A 86 -7.629 -8.723 9.576 1.00 72.03 H new ATOM 0 HG SER A 86 -8.166 -10.698 8.485 1.00 41.44 H new ATOM 1202 N GLY A 87 -10.643 -8.940 11.999 1.00 74.32 N ATOM 1203 CA GLY A 87 -10.621 -9.298 13.406 1.00 62.44 C ATOM 1204 C GLY A 87 -12.013 -9.399 13.999 1.00 53.32 C ATOM 1205 O GLY A 87 -13.009 -9.505 13.284 1.00 42.12 O ATOM 0 H GLY A 87 -11.548 -9.052 11.542 1.00 74.32 H new ATOM 0 HA2 GLY A 87 -10.107 -10.252 13.527 1.00 62.44 H new ATOM 0 HA3 GLY A 87 -10.047 -8.554 13.958 1.00 62.44 H new ATOM 1209 N PRO A 88 -12.093 -9.370 15.338 1.00 3.42 N ATOM 1210 CA PRO A 88 -13.368 -9.460 16.056 1.00 65.22 C ATOM 1211 C PRO A 88 -14.223 -8.209 15.880 1.00 74.11 C ATOM 1212 O PRO A 88 -15.447 -8.288 15.796 1.00 0.45 O ATOM 1213 CB PRO A 88 -12.941 -9.613 17.518 1.00 20.14 C ATOM 1214 CG PRO A 88 -11.591 -8.987 17.587 1.00 24.01 C ATOM 1215 CD PRO A 88 -10.947 -9.247 16.253 1.00 52.32 C ATOM 0 HA PRO A 88 -13.985 -10.280 15.689 1.00 65.22 H new ATOM 0 HB2 PRO A 88 -13.642 -9.117 18.189 1.00 20.14 H new ATOM 0 HB3 PRO A 88 -12.906 -10.662 17.812 1.00 20.14 H new ATOM 0 HG2 PRO A 88 -11.666 -7.917 17.783 1.00 24.01 H new ATOM 0 HG3 PRO A 88 -11.001 -9.418 18.396 1.00 24.01 H new ATOM 0 HD2 PRO A 88 -10.285 -8.432 15.961 1.00 52.32 H new ATOM 0 HD3 PRO A 88 -10.345 -10.156 16.268 1.00 52.32 H new ATOM 1223 N GLY A 89 -13.567 -7.053 15.824 1.00 11.02 N ATOM 1224 CA GLY A 89 -14.283 -5.802 15.657 1.00 54.31 C ATOM 1225 C GLY A 89 -14.684 -5.183 16.981 1.00 63.52 C ATOM 1226 O GLY A 89 -15.663 -4.440 17.055 1.00 41.33 O ATOM 0 H GLY A 89 -12.553 -6.961 15.891 1.00 11.02 H new ATOM 0 HA2 GLY A 89 -13.658 -5.100 15.106 1.00 54.31 H new ATOM 0 HA3 GLY A 89 -15.175 -5.975 15.055 1.00 54.31 H new ATOM 1230 N SER A 90 -13.929 -5.491 18.030 1.00 71.33 N ATOM 1231 CA SER A 90 -14.215 -4.963 19.360 1.00 20.44 C ATOM 1232 C SER A 90 -13.120 -4.001 19.809 1.00 71.44 C ATOM 1233 O SER A 90 -12.267 -4.333 20.633 1.00 55.34 O ATOM 1234 CB SER A 90 -14.349 -6.107 20.367 1.00 22.22 C ATOM 1235 OG SER A 90 -15.582 -6.788 20.204 1.00 13.02 O ATOM 0 H SER A 90 -13.114 -6.103 17.986 1.00 71.33 H new ATOM 0 HA SER A 90 -15.157 -4.417 19.313 1.00 20.44 H new ATOM 0 HB2 SER A 90 -13.523 -6.807 20.239 1.00 22.22 H new ATOM 0 HB3 SER A 90 -14.279 -5.713 21.381 1.00 22.22 H new ATOM 0 HG SER A 90 -15.643 -7.515 20.858 1.00 13.02 H new ATOM 1241 N PRO A 91 -13.144 -2.780 19.256 1.00 73.15 N ATOM 1242 CA PRO A 91 -12.161 -1.743 19.585 1.00 44.11 C ATOM 1243 C PRO A 91 -12.333 -1.211 21.004 1.00 13.22 C ATOM 1244 O PRO A 91 -13.419 -1.284 21.578 1.00 50.22 O ATOM 1245 CB PRO A 91 -12.452 -0.641 18.563 1.00 64.24 C ATOM 1246 CG PRO A 91 -13.883 -0.835 18.194 1.00 73.13 C ATOM 1247 CD PRO A 91 -14.133 -2.315 18.268 1.00 35.24 C ATOM 0 HA PRO A 91 -11.140 -2.122 19.545 1.00 44.11 H new ATOM 0 HB2 PRO A 91 -12.283 0.348 18.989 1.00 64.24 H new ATOM 0 HB3 PRO A 91 -11.803 -0.728 17.692 1.00 64.24 H new ATOM 0 HG2 PRO A 91 -14.539 -0.294 18.876 1.00 73.13 H new ATOM 0 HG3 PRO A 91 -14.082 -0.455 17.192 1.00 73.13 H new ATOM 0 HD2 PRO A 91 -15.152 -2.535 18.586 1.00 35.24 H new ATOM 0 HD3 PRO A 91 -13.990 -2.795 17.300 1.00 35.24 H new ATOM 1255 N SER A 92 -11.253 -0.676 21.565 1.00 75.21 N ATOM 1256 CA SER A 92 -11.282 -0.135 22.919 1.00 24.21 C ATOM 1257 C SER A 92 -10.341 1.059 23.048 1.00 42.41 C ATOM 1258 O SER A 92 -9.619 1.398 22.111 1.00 21.13 O ATOM 1259 CB SER A 92 -10.896 -1.214 23.931 1.00 34.15 C ATOM 1260 OG SER A 92 -11.372 -2.487 23.526 1.00 62.41 O ATOM 0 H SER A 92 -10.347 -0.606 21.102 1.00 75.21 H new ATOM 0 HA SER A 92 -12.298 0.201 23.127 1.00 24.21 H new ATOM 0 HB2 SER A 92 -9.812 -1.245 24.039 1.00 34.15 H new ATOM 0 HB3 SER A 92 -11.306 -0.963 24.909 1.00 34.15 H new ATOM 0 HG SER A 92 -11.111 -3.160 24.189 1.00 62.41 H new ATOM 1266 N ASN A 93 -10.356 1.693 24.216 1.00 21.02 N ATOM 1267 CA ASN A 93 -9.505 2.850 24.468 1.00 71.20 C ATOM 1268 C ASN A 93 -9.668 3.895 23.369 1.00 52.40 C ATOM 1269 O ASN A 93 -8.714 4.220 22.661 1.00 43.21 O ATOM 1270 CB ASN A 93 -8.040 2.420 24.566 1.00 30.43 C ATOM 1271 CG ASN A 93 -7.748 1.647 25.838 1.00 52.43 C ATOM 1272 OD1 ASN A 93 -7.168 2.182 26.783 1.00 3.31 O ATOM 1273 ND2 ASN A 93 -8.149 0.382 25.866 1.00 22.12 N ATOM 0 H ASN A 93 -10.948 1.425 25.002 1.00 21.02 H new ATOM 0 HA ASN A 93 -9.810 3.295 25.415 1.00 71.20 H new ATOM 0 HB2 ASN A 93 -7.787 1.804 23.703 1.00 30.43 H new ATOM 0 HB3 ASN A 93 -7.402 3.303 24.526 1.00 30.43 H new ATOM 0 HD21 ASN A 93 -7.980 -0.188 26.695 1.00 22.12 H new ATOM 0 HD22 ASN A 93 -8.626 -0.020 25.059 1.00 22.12 H new ATOM 1280 N CYS A 94 -10.881 4.420 23.233 1.00 31.32 N ATOM 1281 CA CYS A 94 -11.169 5.429 22.220 1.00 31.41 C ATOM 1282 C CYS A 94 -10.774 6.818 22.709 1.00 72.14 C ATOM 1283 O CYS A 94 -11.125 7.222 23.818 1.00 73.23 O ATOM 1284 CB CYS A 94 -12.654 5.406 21.857 1.00 42.51 C ATOM 1285 SG CYS A 94 -13.761 5.710 23.254 1.00 42.00 S ATOM 0 H CYS A 94 -11.681 4.163 23.812 1.00 31.32 H new ATOM 0 HA CYS A 94 -10.581 5.196 21.332 1.00 31.41 H new ATOM 0 HB2 CYS A 94 -12.841 6.157 21.089 1.00 42.51 H new ATOM 0 HB3 CYS A 94 -12.895 4.437 21.420 1.00 42.51 H new ATOM 0 HG CYS A 94 -13.190 6.525 24.091 1.00 42.00 H new ATOM 1291 N LYS A 95 -10.039 7.545 21.875 1.00 43.35 N ATOM 1292 CA LYS A 95 -9.594 8.891 22.221 1.00 3.01 C ATOM 1293 C LYS A 95 -9.408 9.741 20.968 1.00 43.52 C ATOM 1294 O LYS A 95 -8.976 9.245 19.927 1.00 31.20 O ATOM 1295 CB LYS A 95 -8.283 8.830 23.007 1.00 35.42 C ATOM 1296 CG LYS A 95 -7.144 8.178 22.243 1.00 22.54 C ATOM 1297 CD LYS A 95 -7.097 6.678 22.485 1.00 14.03 C ATOM 1298 CE LYS A 95 -5.738 6.098 22.123 1.00 21.11 C ATOM 1299 NZ LYS A 95 -5.554 4.728 22.679 1.00 50.32 N ATOM 0 H LYS A 95 -9.738 7.225 20.954 1.00 43.35 H new ATOM 0 HA LYS A 95 -10.362 9.353 22.842 1.00 3.01 H new ATOM 0 HB2 LYS A 95 -7.989 9.842 23.286 1.00 35.42 H new ATOM 0 HB3 LYS A 95 -8.450 8.280 23.933 1.00 35.42 H new ATOM 0 HG2 LYS A 95 -7.262 8.372 21.177 1.00 22.54 H new ATOM 0 HG3 LYS A 95 -6.198 8.626 22.546 1.00 22.54 H new ATOM 0 HD2 LYS A 95 -7.315 6.470 23.533 1.00 14.03 H new ATOM 0 HD3 LYS A 95 -7.872 6.189 21.895 1.00 14.03 H new ATOM 0 HE2 LYS A 95 -5.634 6.067 21.038 1.00 21.11 H new ATOM 0 HE3 LYS A 95 -4.952 6.752 22.500 1.00 21.11 H new ATOM 0 HZ1 LYS A 95 -4.954 4.171 22.038 1.00 50.32 H new ATOM 0 HZ2 LYS A 95 -5.099 4.790 23.612 1.00 50.32 H new ATOM 0 HZ3 LYS A 95 -6.480 4.265 22.776 1.00 50.32 H new ATOM 1313 N LEU A 96 -9.736 11.024 21.076 1.00 62.51 N ATOM 1314 CA LEU A 96 -9.603 11.945 19.952 1.00 65.20 C ATOM 1315 C LEU A 96 -9.353 13.368 20.440 1.00 14.11 C ATOM 1316 O LEU A 96 -9.698 13.717 21.568 1.00 63.22 O ATOM 1317 CB LEU A 96 -10.863 11.905 19.085 1.00 52.43 C ATOM 1318 CG LEU A 96 -12.185 12.162 19.809 1.00 22.52 C ATOM 1319 CD1 LEU A 96 -12.409 13.653 20.001 1.00 55.42 C ATOM 1320 CD2 LEU A 96 -13.343 11.541 19.041 1.00 40.52 C ATOM 0 H LEU A 96 -10.096 11.450 21.930 1.00 62.51 H new ATOM 0 HA LEU A 96 -8.747 11.631 19.355 1.00 65.20 H new ATOM 0 HB2 LEU A 96 -10.757 12.644 18.291 1.00 52.43 H new ATOM 0 HB3 LEU A 96 -10.919 10.928 18.605 1.00 52.43 H new ATOM 0 HG LEU A 96 -12.135 11.695 20.792 1.00 22.52 H new ATOM 0 HD11 LEU A 96 -13.355 13.815 20.518 1.00 55.42 H new ATOM 0 HD12 LEU A 96 -11.595 14.070 20.594 1.00 55.42 H new ATOM 0 HD13 LEU A 96 -12.438 14.145 19.029 1.00 55.42 H new ATOM 0 HD21 LEU A 96 -14.276 11.734 19.571 1.00 40.52 H new ATOM 0 HD22 LEU A 96 -13.395 11.979 18.044 1.00 40.52 H new ATOM 0 HD23 LEU A 96 -13.189 10.465 18.957 1.00 40.52 H new ATOM 1332 N ASN A 97 -8.750 14.185 19.582 1.00 61.52 N ATOM 1333 CA ASN A 97 -8.454 15.571 19.926 1.00 53.21 C ATOM 1334 C ASN A 97 -7.419 15.645 21.044 1.00 1.50 C ATOM 1335 O ASN A 97 -7.550 16.440 21.974 1.00 1.50 O ATOM 1336 CB ASN A 97 -9.732 16.296 20.349 1.00 43.13 C ATOM 1337 CG ASN A 97 -9.766 17.735 19.871 1.00 40.33 C ATOM 1338 OD1 ASN A 97 -8.755 18.438 19.909 1.00 73.22 O ATOM 1339 ND2 ASN A 97 -10.931 18.182 19.418 1.00 64.21 N ATOM 0 H ASN A 97 -8.457 13.911 18.644 1.00 61.52 H new ATOM 0 HA ASN A 97 -8.043 16.059 19.043 1.00 53.21 H new ATOM 0 HB2 ASN A 97 -10.597 15.764 19.952 1.00 43.13 H new ATOM 0 HB3 ASN A 97 -9.816 16.275 21.436 1.00 43.13 H new ATOM 0 HD21 ASN A 97 -11.014 19.142 19.084 1.00 64.21 H new ATOM 0 HD22 ASN A 97 -11.743 17.565 19.404 1.00 64.21 H new ATOM 1346 N GLY A 98 -6.388 14.811 20.946 1.00 31.34 N ATOM 1347 CA GLY A 98 -5.345 14.798 21.955 1.00 61.12 C ATOM 1348 C GLY A 98 -5.819 14.214 23.271 1.00 4.11 C ATOM 1349 O GLY A 98 -5.503 14.737 24.339 1.00 32.54 O ATOM 0 H GLY A 98 -6.257 14.144 20.186 1.00 31.34 H new ATOM 0 HA2 GLY A 98 -4.497 14.220 21.589 1.00 61.12 H new ATOM 0 HA3 GLY A 98 -4.990 15.815 22.119 1.00 61.12 H new ATOM 1353 N GLY A 99 -6.583 13.128 23.194 1.00 74.42 N ATOM 1354 CA GLY A 99 -7.090 12.492 24.397 1.00 42.40 C ATOM 1355 C GLY A 99 -8.360 13.145 24.906 1.00 2.15 C ATOM 1356 O GLY A 99 -8.347 13.831 25.928 1.00 0.03 O ATOM 0 H GLY A 99 -6.860 12.678 22.322 1.00 74.42 H new ATOM 0 HA2 GLY A 99 -7.283 11.439 24.194 1.00 42.40 H new ATOM 0 HA3 GLY A 99 -6.327 12.532 25.175 1.00 42.40 H new ATOM 1360 N SER A 100 -9.461 12.933 24.191 1.00 11.44 N ATOM 1361 CA SER A 100 -10.744 13.510 24.572 1.00 75.14 C ATOM 1362 C SER A 100 -11.899 12.698 23.995 1.00 34.50 C ATOM 1363 O SER A 100 -12.196 12.781 22.803 1.00 21.23 O ATOM 1364 CB SER A 100 -10.837 14.960 24.095 1.00 42.44 C ATOM 1365 OG SER A 100 -11.273 15.815 25.138 1.00 20.02 O ATOM 0 H SER A 100 -9.489 12.365 23.344 1.00 11.44 H new ATOM 0 HA SER A 100 -10.815 13.487 25.659 1.00 75.14 H new ATOM 0 HB2 SER A 100 -9.863 15.290 23.734 1.00 42.44 H new ATOM 0 HB3 SER A 100 -11.528 15.026 23.254 1.00 42.44 H new ATOM 0 HG SER A 100 -11.322 16.736 24.807 1.00 20.02 H new ATOM 1371 N CYS A 101 -12.546 11.912 24.850 1.00 41.12 N ATOM 1372 CA CYS A 101 -13.669 11.083 24.426 1.00 13.21 C ATOM 1373 C CYS A 101 -14.514 10.659 25.623 1.00 12.24 C ATOM 1374 O CYS A 101 -14.044 9.935 26.501 1.00 51.31 O ATOM 1375 CB CYS A 101 -13.163 9.847 23.680 1.00 41.40 C ATOM 1376 SG CYS A 101 -14.306 9.225 22.425 1.00 21.43 S ATOM 0 H CYS A 101 -12.312 11.832 25.840 1.00 41.12 H new ATOM 0 HA CYS A 101 -14.293 11.674 23.755 1.00 13.21 H new ATOM 0 HB2 CYS A 101 -12.212 10.087 23.204 1.00 41.40 H new ATOM 0 HB3 CYS A 101 -12.967 9.055 24.402 1.00 41.40 H new ATOM 0 HG CYS A 101 -14.334 7.926 22.469 1.00 21.43 H new