USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1017 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 50 ASN : amide:sc= -0.164 K(o=1.8,f=-5.5!) USER MOD Set 1.2: B 3 LYS NZ :NH3+ -155:sc= 1.93 (180deg=2.1) USER MOD Set 2.1: A 18 ASN : amide:sc= 0 K(o=-0.21,f=-2.6) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.212 K(o=-0.21,f=-4.3!) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00563) USER MOD Single : A 9 ASN : amide:sc= -1.64 K(o=-1.6,f=-6.7!) USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.0311 (180deg=-0.582) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -60:sc= 0.00593 USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0.798 (180deg=-0.0114) USER MOD Single : A 33 ASN : amide:sc=-0.00186 X(o=-0.0019,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.605 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= -0.0634 (180deg=-1.42!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 64 TYR OH : rot 158:sc= 0.0449 USER MOD Single : B 4 LYS NZ :NH3+ -171:sc=-0.00504 (180deg=-0.0923) USER MOD Single : B 9 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.54) USER MOD Single : B 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.022) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : B 18 ASN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= -0.548 USER MOD Single : B 31 LYS NZ :NH3+ -147:sc= 1.28 (180deg=0.541) USER MOD Single : B 33 ASN : amide:sc= -0.0674 X(o=-0.067,f=-0.49) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.336 USER MOD Single : B 39 THR OG1 : rot 77:sc= 0.0938 USER MOD Single : B 50 ASN : amide:sc= 0.0128 X(o=0.013,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -138:sc= 0.014 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 174:sc= 0.397 (180deg=0.373) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot -83:sc= 0.25 USER MOD Single : B 65 ASN : amide:sc= 0.0772 K(o=0.077,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -3.007 13.708 6.115 1.00 45.24 N ATOM 55 CA LYS A 4 -4.359 13.986 6.682 1.00 23.13 C ATOM 56 C LYS A 4 -5.463 13.162 5.967 1.00 23.31 C ATOM 57 O LYS A 4 -6.391 12.666 6.614 1.00 33.50 O ATOM 58 CB LYS A 4 -4.679 15.508 6.615 1.00 33.34 C ATOM 59 CG LYS A 4 -3.909 16.372 7.642 1.00 14.10 C ATOM 60 CD LYS A 4 -4.250 15.995 9.107 1.00 31.25 C ATOM 61 CE LYS A 4 -3.584 16.929 10.137 1.00 54.34 C ATOM 62 NZ LYS A 4 -2.096 16.922 10.035 1.00 70.13 N ATOM 0 HA LYS A 4 -4.346 13.678 7.727 1.00 23.13 H new ATOM 0 HB2 LYS A 4 -4.452 15.870 5.612 1.00 33.34 H new ATOM 0 HB3 LYS A 4 -5.749 15.649 6.770 1.00 33.34 H new ATOM 0 HG2 LYS A 4 -2.837 16.255 7.480 1.00 14.10 H new ATOM 0 HG3 LYS A 4 -4.144 17.423 7.476 1.00 14.10 H new ATOM 0 HD2 LYS A 4 -5.331 16.025 9.242 1.00 31.25 H new ATOM 0 HD3 LYS A 4 -3.933 14.969 9.296 1.00 31.25 H new ATOM 0 HE2 LYS A 4 -3.950 17.945 9.992 1.00 54.34 H new ATOM 0 HE3 LYS A 4 -3.878 16.625 11.142 1.00 54.34 H new ATOM 0 HZ1 LYS A 4 -1.695 17.539 10.770 1.00 70.13 H new ATOM 0 HZ2 LYS A 4 -1.744 15.952 10.166 1.00 70.13 H new ATOM 0 HZ3 LYS A 4 -1.811 17.270 9.097 1.00 70.13 H new ATOM 76 N ILE A 5 -5.345 13.032 4.634 1.00 11.32 N ATOM 77 CA ILE A 5 -6.296 12.253 3.797 1.00 43.23 C ATOM 78 C ILE A 5 -6.299 10.760 4.200 1.00 52.52 C ATOM 79 O ILE A 5 -7.343 10.174 4.451 1.00 21.11 O ATOM 80 CB ILE A 5 -5.925 12.374 2.267 1.00 63.42 C ATOM 81 CG1 ILE A 5 -5.876 13.872 1.826 1.00 14.41 C ATOM 82 CG2 ILE A 5 -6.897 11.559 1.371 1.00 45.15 C ATOM 83 CD1 ILE A 5 -5.432 14.093 0.387 1.00 32.34 C ATOM 0 H ILE A 5 -4.590 13.461 4.099 1.00 11.32 H new ATOM 0 HA ILE A 5 -7.290 12.669 3.963 1.00 43.23 H new ATOM 0 HB ILE A 5 -4.931 11.946 2.136 1.00 63.42 H new ATOM 0 HG12 ILE A 5 -6.866 14.309 1.959 1.00 14.41 H new ATOM 0 HG13 ILE A 5 -5.198 14.411 2.489 1.00 14.41 H new ATOM 0 HG21 ILE A 5 -6.607 11.669 0.326 1.00 45.15 H new ATOM 0 HG22 ILE A 5 -6.854 10.506 1.651 1.00 45.15 H new ATOM 0 HG23 ILE A 5 -7.913 11.929 1.506 1.00 45.15 H new ATOM 0 HD11 ILE A 5 -5.427 15.161 0.168 1.00 32.34 H new ATOM 0 HD12 ILE A 5 -4.429 13.690 0.250 1.00 32.34 H new ATOM 0 HD13 ILE A 5 -6.122 13.587 -0.288 1.00 32.34 H new ATOM 95 N VAL A 6 -5.092 10.187 4.264 1.00 1.12 N ATOM 96 CA VAL A 6 -4.852 8.766 4.561 1.00 14.34 C ATOM 97 C VAL A 6 -5.090 8.455 6.049 1.00 55.01 C ATOM 98 O VAL A 6 -5.439 7.339 6.392 1.00 65.34 O ATOM 99 CB VAL A 6 -3.402 8.337 4.108 1.00 5.25 C ATOM 100 CG1 VAL A 6 -3.154 8.779 2.647 1.00 32.33 C ATOM 101 CG2 VAL A 6 -2.304 8.896 5.047 1.00 64.02 C ATOM 0 H VAL A 6 -4.231 10.711 4.107 1.00 1.12 H new ATOM 0 HA VAL A 6 -5.570 8.178 3.989 1.00 14.34 H new ATOM 0 HB VAL A 6 -3.344 7.250 4.169 1.00 5.25 H new ATOM 0 HG11 VAL A 6 -2.151 8.480 2.341 1.00 32.33 H new ATOM 0 HG12 VAL A 6 -3.888 8.307 1.994 1.00 32.33 H new ATOM 0 HG13 VAL A 6 -3.247 9.863 2.574 1.00 32.33 H new ATOM 0 HG21 VAL A 6 -1.324 8.574 4.694 1.00 64.02 H new ATOM 0 HG22 VAL A 6 -2.348 9.985 5.050 1.00 64.02 H new ATOM 0 HG23 VAL A 6 -2.466 8.523 6.058 1.00 64.02 H new ATOM 111 N GLY A 7 -4.900 9.463 6.926 1.00 35.21 N ATOM 112 CA GLY A 7 -5.274 9.338 8.341 1.00 15.21 C ATOM 113 C GLY A 7 -6.794 9.244 8.539 1.00 20.53 C ATOM 114 O GLY A 7 -7.272 8.522 9.419 1.00 10.22 O ATOM 0 H GLY A 7 -4.492 10.364 6.677 1.00 35.21 H new ATOM 0 HA2 GLY A 7 -4.800 8.451 8.762 1.00 15.21 H new ATOM 0 HA3 GLY A 7 -4.891 10.197 8.892 1.00 15.21 H new ATOM 118 N ALA A 8 -7.543 9.979 7.692 1.00 50.22 N ATOM 119 CA ALA A 8 -9.022 9.963 7.684 1.00 24.14 C ATOM 120 C ALA A 8 -9.587 8.649 7.066 1.00 43.01 C ATOM 121 O ALA A 8 -10.349 7.921 7.721 1.00 22.34 O ATOM 122 CB ALA A 8 -9.545 11.196 6.923 1.00 55.25 C ATOM 0 H ALA A 8 -7.139 10.602 6.992 1.00 50.22 H new ATOM 0 HA ALA A 8 -9.369 10.000 8.717 1.00 24.14 H new ATOM 0 HB1 ALA A 8 -10.635 11.184 6.917 1.00 55.25 H new ATOM 0 HB2 ALA A 8 -9.194 12.103 7.415 1.00 55.25 H new ATOM 0 HB3 ALA A 8 -9.176 11.174 5.898 1.00 55.25 H new ATOM 128 N ASN A 9 -9.182 8.339 5.812 1.00 30.04 N ATOM 129 CA ASN A 9 -9.735 7.197 5.037 1.00 73.10 C ATOM 130 C ASN A 9 -9.281 5.817 5.585 1.00 32.53 C ATOM 131 O ASN A 9 -9.964 4.810 5.366 1.00 63.54 O ATOM 132 CB ASN A 9 -9.420 7.348 3.513 1.00 73.25 C ATOM 133 CG ASN A 9 -7.929 7.306 3.124 1.00 13.50 C ATOM 134 OD1 ASN A 9 -7.124 6.599 3.715 1.00 73.04 O ATOM 135 ND2 ASN A 9 -7.546 8.080 2.119 1.00 40.24 N ATOM 0 H ASN A 9 -8.468 8.867 5.310 1.00 30.04 H new ATOM 0 HA ASN A 9 -10.817 7.227 5.163 1.00 73.10 H new ATOM 0 HB2 ASN A 9 -9.938 6.554 2.975 1.00 73.25 H new ATOM 0 HB3 ASN A 9 -9.839 8.293 3.168 1.00 73.25 H new ATOM 0 HD21 ASN A 9 -6.568 8.092 1.828 1.00 40.24 H new ATOM 0 HD22 ASN A 9 -8.229 8.664 1.636 1.00 40.24 H new ATOM 142 N ALA A 10 -8.139 5.788 6.319 1.00 31.51 N ATOM 143 CA ALA A 10 -7.653 4.558 6.996 1.00 31.33 C ATOM 144 C ALA A 10 -8.601 4.141 8.138 1.00 33.31 C ATOM 145 O ALA A 10 -8.681 2.965 8.483 1.00 54.45 O ATOM 146 CB ALA A 10 -6.225 4.733 7.533 1.00 64.22 C ATOM 0 H ALA A 10 -7.539 6.601 6.457 1.00 31.51 H new ATOM 0 HA ALA A 10 -7.639 3.766 6.247 1.00 31.33 H new ATOM 0 HB1 ALA A 10 -5.905 3.813 8.021 1.00 64.22 H new ATOM 0 HB2 ALA A 10 -5.551 4.959 6.707 1.00 64.22 H new ATOM 0 HB3 ALA A 10 -6.205 5.552 8.253 1.00 64.22 H new ATOM 152 N GLY A 11 -9.318 5.134 8.708 1.00 64.10 N ATOM 153 CA GLY A 11 -10.375 4.875 9.694 1.00 41.30 C ATOM 154 C GLY A 11 -11.571 4.117 9.101 1.00 72.43 C ATOM 155 O GLY A 11 -12.177 3.283 9.770 1.00 62.13 O ATOM 0 H GLY A 11 -9.179 6.122 8.498 1.00 64.10 H new ATOM 0 HA2 GLY A 11 -9.960 4.299 10.521 1.00 41.30 H new ATOM 0 HA3 GLY A 11 -10.720 5.823 10.107 1.00 41.30 H new ATOM 159 N LYS A 12 -11.903 4.429 7.828 1.00 73.52 N ATOM 160 CA LYS A 12 -12.996 3.763 7.079 1.00 24.34 C ATOM 161 C LYS A 12 -12.588 2.353 6.570 1.00 55.14 C ATOM 162 O LYS A 12 -13.390 1.414 6.645 1.00 14.12 O ATOM 163 CB LYS A 12 -13.470 4.664 5.904 1.00 73.10 C ATOM 164 CG LYS A 12 -14.531 4.027 4.967 1.00 63.52 C ATOM 165 CD LYS A 12 -15.195 5.010 3.954 1.00 33.31 C ATOM 166 CE LYS A 12 -14.202 5.856 3.123 1.00 53.00 C ATOM 167 NZ LYS A 12 -13.767 7.084 3.844 1.00 13.13 N ATOM 0 H LYS A 12 -11.422 5.149 7.290 1.00 73.52 H new ATOM 0 HA LYS A 12 -13.826 3.618 7.770 1.00 24.34 H new ATOM 0 HB2 LYS A 12 -13.880 5.586 6.317 1.00 73.10 H new ATOM 0 HB3 LYS A 12 -12.601 4.941 5.307 1.00 73.10 H new ATOM 0 HG2 LYS A 12 -14.061 3.217 4.409 1.00 63.52 H new ATOM 0 HG3 LYS A 12 -15.313 3.579 5.580 1.00 63.52 H new ATOM 0 HD2 LYS A 12 -15.822 4.437 3.271 1.00 33.31 H new ATOM 0 HD3 LYS A 12 -15.854 5.684 4.502 1.00 33.31 H new ATOM 0 HE2 LYS A 12 -13.328 5.252 2.879 1.00 53.00 H new ATOM 0 HE3 LYS A 12 -14.669 6.137 2.179 1.00 53.00 H new ATOM 0 HZ1 LYS A 12 -13.569 7.839 3.156 1.00 13.13 H new ATOM 0 HZ2 LYS A 12 -14.521 7.393 4.490 1.00 13.13 H new ATOM 0 HZ3 LYS A 12 -12.906 6.879 4.390 1.00 13.13 H new ATOM 181 N VAL A 13 -11.345 2.201 6.046 1.00 23.31 N ATOM 182 CA VAL A 13 -10.864 0.882 5.540 1.00 31.44 C ATOM 183 C VAL A 13 -10.640 -0.109 6.711 1.00 43.45 C ATOM 184 O VAL A 13 -10.895 -1.311 6.577 1.00 72.44 O ATOM 185 CB VAL A 13 -9.574 0.988 4.620 1.00 44.52 C ATOM 186 CG1 VAL A 13 -9.783 2.002 3.467 1.00 51.11 C ATOM 187 CG2 VAL A 13 -8.298 1.320 5.421 1.00 43.50 C ATOM 0 H VAL A 13 -10.666 2.958 5.962 1.00 23.31 H new ATOM 0 HA VAL A 13 -11.655 0.494 4.898 1.00 31.44 H new ATOM 0 HB VAL A 13 -9.426 0.000 4.184 1.00 44.52 H new ATOM 0 HG11 VAL A 13 -8.881 2.050 2.857 1.00 51.11 H new ATOM 0 HG12 VAL A 13 -10.622 1.683 2.849 1.00 51.11 H new ATOM 0 HG13 VAL A 13 -9.993 2.988 3.883 1.00 51.11 H new ATOM 0 HG21 VAL A 13 -7.447 1.380 4.742 1.00 43.50 H new ATOM 0 HG22 VAL A 13 -8.426 2.276 5.929 1.00 43.50 H new ATOM 0 HG23 VAL A 13 -8.118 0.538 6.159 1.00 43.50 H new ATOM 197 N TRP A 14 -10.184 0.432 7.866 1.00 73.00 N ATOM 198 CA TRP A 14 -10.062 -0.333 9.128 1.00 55.11 C ATOM 199 C TRP A 14 -11.454 -0.636 9.732 1.00 1.14 C ATOM 200 O TRP A 14 -11.629 -1.654 10.387 1.00 11.02 O ATOM 201 CB TRP A 14 -9.184 0.402 10.178 1.00 31.23 C ATOM 202 CG TRP A 14 -8.803 -0.479 11.347 1.00 62.01 C ATOM 203 CD1 TRP A 14 -7.838 -1.446 11.364 1.00 35.55 C ATOM 204 CD2 TRP A 14 -9.407 -0.497 12.645 1.00 3.31 C ATOM 205 NE1 TRP A 14 -7.803 -2.055 12.591 1.00 72.14 N ATOM 206 CE2 TRP A 14 -8.756 -1.489 13.395 1.00 20.44 C ATOM 207 CE3 TRP A 14 -10.436 0.239 13.238 1.00 50.04 C ATOM 208 CZ2 TRP A 14 -9.102 -1.765 14.708 1.00 74.13 C ATOM 209 CZ3 TRP A 14 -10.781 -0.035 14.546 1.00 33.00 C ATOM 210 CH2 TRP A 14 -10.114 -1.031 15.272 1.00 52.24 C ATOM 0 H TRP A 14 -9.892 1.406 7.948 1.00 73.00 H new ATOM 0 HA TRP A 14 -9.569 -1.272 8.875 1.00 55.11 H new ATOM 0 HB2 TRP A 14 -8.278 0.768 9.695 1.00 31.23 H new ATOM 0 HB3 TRP A 14 -9.722 1.275 10.548 1.00 31.23 H new ATOM 0 HD1 TRP A 14 -7.196 -1.694 10.532 1.00 35.55 H new ATOM 0 HE1 TRP A 14 -7.170 -2.808 12.861 1.00 72.14 H new ATOM 0 HE3 TRP A 14 -10.952 1.008 12.683 1.00 50.04 H new ATOM 0 HZ2 TRP A 14 -8.591 -2.533 15.269 1.00 74.13 H new ATOM 0 HZ3 TRP A 14 -11.575 0.526 15.016 1.00 33.00 H new ATOM 0 HH2 TRP A 14 -10.402 -1.224 16.295 1.00 52.24 H new ATOM 221 N HIS A 15 -12.423 0.278 9.536 1.00 64.33 N ATOM 222 CA HIS A 15 -13.829 0.062 9.965 1.00 32.25 C ATOM 223 C HIS A 15 -14.448 -1.163 9.242 1.00 14.14 C ATOM 224 O HIS A 15 -15.077 -2.013 9.874 1.00 12.44 O ATOM 225 CB HIS A 15 -14.677 1.329 9.689 1.00 21.24 C ATOM 226 CG HIS A 15 -16.100 1.243 10.172 1.00 55.41 C ATOM 227 ND1 HIS A 15 -16.440 1.340 11.502 1.00 22.42 N ATOM 228 CD2 HIS A 15 -17.267 1.047 9.504 1.00 73.01 C ATOM 229 CE1 HIS A 15 -17.739 1.204 11.636 1.00 34.12 C ATOM 230 NE2 HIS A 15 -18.267 1.028 10.441 1.00 35.23 N ATOM 0 H HIS A 15 -12.263 1.177 9.082 1.00 64.33 H new ATOM 0 HA HIS A 15 -13.829 -0.137 11.037 1.00 32.25 H new ATOM 0 HB2 HIS A 15 -14.196 2.184 10.164 1.00 21.24 H new ATOM 0 HB3 HIS A 15 -14.681 1.522 8.616 1.00 21.24 H new ATOM 0 HD2 HIS A 15 -17.384 0.929 8.437 1.00 73.01 H new ATOM 0 HE1 HIS A 15 -18.283 1.232 12.568 1.00 34.12 H new ATOM 0 HE2 HIS A 15 -19.260 0.899 10.245 1.00 35.23 H new ATOM 239 N ALA A 16 -14.240 -1.223 7.916 1.00 41.42 N ATOM 240 CA ALA A 16 -14.710 -2.335 7.054 1.00 24.10 C ATOM 241 C ALA A 16 -13.976 -3.662 7.388 1.00 12.42 C ATOM 242 O ALA A 16 -14.553 -4.752 7.303 1.00 11.12 O ATOM 243 CB ALA A 16 -14.499 -1.951 5.581 1.00 74.24 C ATOM 0 H ALA A 16 -13.738 -0.499 7.403 1.00 41.42 H new ATOM 0 HA ALA A 16 -15.771 -2.501 7.240 1.00 24.10 H new ATOM 0 HB1 ALA A 16 -14.842 -2.763 4.940 1.00 74.24 H new ATOM 0 HB2 ALA A 16 -15.065 -1.047 5.356 1.00 74.24 H new ATOM 0 HB3 ALA A 16 -13.440 -1.769 5.401 1.00 74.24 H new ATOM 249 N LEU A 17 -12.693 -3.521 7.756 1.00 4.32 N ATOM 250 CA LEU A 17 -11.820 -4.630 8.206 1.00 15.34 C ATOM 251 C LEU A 17 -12.279 -5.187 9.586 1.00 41.03 C ATOM 252 O LEU A 17 -12.355 -6.400 9.783 1.00 54.45 O ATOM 253 CB LEU A 17 -10.343 -4.093 8.232 1.00 43.50 C ATOM 254 CG LEU A 17 -9.187 -4.999 8.793 1.00 44.41 C ATOM 255 CD1 LEU A 17 -9.033 -4.883 10.327 1.00 0.51 C ATOM 256 CD2 LEU A 17 -9.349 -6.459 8.335 1.00 22.45 C ATOM 0 H LEU A 17 -12.219 -2.618 7.751 1.00 4.32 H new ATOM 0 HA LEU A 17 -11.884 -5.472 7.517 1.00 15.34 H new ATOM 0 HB2 LEU A 17 -10.077 -3.825 7.209 1.00 43.50 H new ATOM 0 HB3 LEU A 17 -10.343 -3.171 8.813 1.00 43.50 H new ATOM 0 HG LEU A 17 -8.255 -4.625 8.368 1.00 44.41 H new ATOM 0 HD11 LEU A 17 -8.221 -5.529 10.661 1.00 0.51 H new ATOM 0 HD12 LEU A 17 -8.808 -3.850 10.593 1.00 0.51 H new ATOM 0 HD13 LEU A 17 -9.961 -5.188 10.810 1.00 0.51 H new ATOM 0 HD21 LEU A 17 -8.534 -7.060 8.739 1.00 22.45 H new ATOM 0 HD22 LEU A 17 -10.301 -6.850 8.695 1.00 22.45 H new ATOM 0 HD23 LEU A 17 -9.327 -6.503 7.246 1.00 22.45 H new ATOM 268 N ASN A 18 -12.576 -4.282 10.530 1.00 45.41 N ATOM 269 CA ASN A 18 -12.945 -4.645 11.922 1.00 74.11 C ATOM 270 C ASN A 18 -14.397 -5.185 11.981 1.00 62.13 C ATOM 271 O ASN A 18 -14.745 -5.975 12.866 1.00 50.22 O ATOM 272 CB ASN A 18 -12.757 -3.413 12.859 1.00 32.42 C ATOM 273 CG ASN A 18 -12.862 -3.767 14.346 1.00 24.13 C ATOM 274 OD1 ASN A 18 -11.877 -4.135 14.975 1.00 24.01 O ATOM 275 ND2 ASN A 18 -14.048 -3.672 14.916 1.00 34.55 N ATOM 0 H ASN A 18 -12.570 -3.277 10.358 1.00 45.41 H new ATOM 0 HA ASN A 18 -12.286 -5.441 12.268 1.00 74.11 H new ATOM 0 HB2 ASN A 18 -11.783 -2.963 12.667 1.00 32.42 H new ATOM 0 HB3 ASN A 18 -13.509 -2.662 12.617 1.00 32.42 H new ATOM 0 HD21 ASN A 18 -14.160 -3.907 15.902 1.00 34.55 H new ATOM 0 HD22 ASN A 18 -14.853 -3.363 14.371 1.00 34.55 H new ATOM 282 N GLU A 19 -15.219 -4.757 11.004 1.00 43.01 N ATOM 283 CA GLU A 19 -16.621 -5.207 10.844 1.00 64.22 C ATOM 284 C GLU A 19 -16.661 -6.680 10.352 1.00 71.01 C ATOM 285 O GLU A 19 -17.477 -7.484 10.826 1.00 62.14 O ATOM 286 CB GLU A 19 -17.349 -4.260 9.848 1.00 73.43 C ATOM 287 CG GLU A 19 -18.850 -4.542 9.632 1.00 63.14 C ATOM 288 CD GLU A 19 -19.508 -3.554 8.644 1.00 20.23 C ATOM 289 OE1 GLU A 19 -19.257 -3.671 7.418 1.00 31.21 O ATOM 290 OE2 GLU A 19 -20.257 -2.644 9.081 1.00 10.12 O ATOM 0 H GLU A 19 -14.929 -4.083 10.296 1.00 43.01 H new ATOM 0 HA GLU A 19 -17.134 -5.167 11.805 1.00 64.22 H new ATOM 0 HB2 GLU A 19 -17.238 -3.235 10.203 1.00 73.43 H new ATOM 0 HB3 GLU A 19 -16.844 -4.320 8.884 1.00 73.43 H new ATOM 0 HG2 GLU A 19 -18.974 -5.559 9.259 1.00 63.14 H new ATOM 0 HG3 GLU A 19 -19.367 -4.489 10.590 1.00 63.14 H new ATOM 297 N ALA A 20 -15.759 -7.011 9.403 1.00 42.52 N ATOM 298 CA ALA A 20 -15.564 -8.390 8.902 1.00 42.10 C ATOM 299 C ALA A 20 -14.143 -8.546 8.296 1.00 14.01 C ATOM 300 O ALA A 20 -13.851 -7.999 7.221 1.00 65.13 O ATOM 301 CB ALA A 20 -16.648 -8.754 7.870 1.00 42.14 C ATOM 0 H ALA A 20 -15.144 -6.328 8.961 1.00 42.52 H new ATOM 0 HA ALA A 20 -15.657 -9.081 9.740 1.00 42.10 H new ATOM 0 HB1 ALA A 20 -16.485 -9.772 7.515 1.00 42.14 H new ATOM 0 HB2 ALA A 20 -17.631 -8.685 8.335 1.00 42.14 H new ATOM 0 HB3 ALA A 20 -16.596 -8.063 7.028 1.00 42.14 H new ATOM 307 N ASP A 21 -13.257 -9.262 9.017 1.00 62.54 N ATOM 308 CA ASP A 21 -11.858 -9.518 8.585 1.00 51.22 C ATOM 309 C ASP A 21 -11.773 -10.584 7.461 1.00 2.32 C ATOM 310 O ASP A 21 -12.793 -11.146 7.039 1.00 64.52 O ATOM 311 CB ASP A 21 -11.011 -9.934 9.814 1.00 34.31 C ATOM 312 CG ASP A 21 -11.550 -11.194 10.516 1.00 44.13 C ATOM 313 OD1 ASP A 21 -12.430 -11.063 11.401 1.00 4.55 O ATOM 314 OD2 ASP A 21 -11.109 -12.316 10.179 1.00 71.35 O ATOM 0 H ASP A 21 -13.487 -9.682 9.918 1.00 62.54 H new ATOM 0 HA ASP A 21 -11.458 -8.596 8.162 1.00 51.22 H new ATOM 0 HB2 ASP A 21 -9.984 -10.113 9.497 1.00 34.31 H new ATOM 0 HB3 ASP A 21 -10.986 -9.110 10.527 1.00 34.31 H new ATOM 319 N GLY A 22 -10.537 -10.868 6.998 1.00 20.42 N ATOM 320 CA GLY A 22 -10.325 -11.776 5.861 1.00 12.51 C ATOM 321 C GLY A 22 -10.786 -11.159 4.545 1.00 30.10 C ATOM 322 O GLY A 22 -11.629 -11.719 3.833 1.00 44.01 O ATOM 0 H GLY A 22 -9.679 -10.483 7.394 1.00 20.42 H new ATOM 0 HA2 GLY A 22 -9.267 -12.030 5.792 1.00 12.51 H new ATOM 0 HA3 GLY A 22 -10.865 -12.707 6.034 1.00 12.51 H new ATOM 326 N ILE A 23 -10.224 -9.982 4.237 1.00 73.44 N ATOM 327 CA ILE A 23 -10.688 -9.128 3.131 1.00 10.04 C ATOM 328 C ILE A 23 -9.496 -8.693 2.233 1.00 30.22 C ATOM 329 O ILE A 23 -8.507 -8.160 2.721 1.00 70.41 O ATOM 330 CB ILE A 23 -11.476 -7.882 3.715 1.00 60.01 C ATOM 331 CG1 ILE A 23 -12.096 -7.021 2.574 1.00 13.10 C ATOM 332 CG2 ILE A 23 -10.597 -7.019 4.668 1.00 50.44 C ATOM 333 CD1 ILE A 23 -13.120 -7.743 1.717 1.00 1.44 C ATOM 0 H ILE A 23 -9.432 -9.593 4.749 1.00 73.44 H new ATOM 0 HA ILE A 23 -11.371 -9.695 2.498 1.00 10.04 H new ATOM 0 HB ILE A 23 -12.294 -8.278 4.317 1.00 60.01 H new ATOM 0 HG12 ILE A 23 -12.567 -6.143 3.016 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -11.292 -6.662 1.931 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -11.182 -6.179 5.041 1.00 50.44 H new ATOM 0 HG22 ILE A 23 -10.263 -7.629 5.507 1.00 50.44 H new ATOM 0 HG23 ILE A 23 -9.730 -6.644 4.124 1.00 50.44 H new ATOM 0 HD11 ILE A 23 -13.496 -7.065 0.951 1.00 1.44 H new ATOM 0 HD12 ILE A 23 -12.653 -8.605 1.241 1.00 1.44 H new ATOM 0 HD13 ILE A 23 -13.947 -8.078 2.343 1.00 1.44 H new ATOM 345 N SER A 24 -9.593 -8.954 0.914 1.00 1.05 N ATOM 346 CA SER A 24 -8.532 -8.600 -0.067 1.00 70.12 C ATOM 347 C SER A 24 -8.617 -7.111 -0.465 1.00 40.33 C ATOM 348 O SER A 24 -9.699 -6.527 -0.431 1.00 40.35 O ATOM 349 CB SER A 24 -8.639 -9.502 -1.321 1.00 61.43 C ATOM 350 OG SER A 24 -8.499 -10.879 -0.989 1.00 72.32 O ATOM 0 H SER A 24 -10.401 -9.413 0.495 1.00 1.05 H new ATOM 0 HA SER A 24 -7.564 -8.767 0.405 1.00 70.12 H new ATOM 0 HB2 SER A 24 -9.602 -9.340 -1.805 1.00 61.43 H new ATOM 0 HB3 SER A 24 -7.869 -9.220 -2.039 1.00 61.43 H new ATOM 0 HG SER A 24 -7.622 -11.029 -0.577 1.00 72.32 H new ATOM 356 N ILE A 25 -7.466 -6.527 -0.875 1.00 40.21 N ATOM 357 CA ILE A 25 -7.330 -5.069 -1.164 1.00 70.21 C ATOM 358 C ILE A 25 -8.411 -4.501 -2.162 1.00 4.21 C ATOM 359 O ILE A 25 -9.076 -3.517 -1.820 1.00 62.13 O ATOM 360 CB ILE A 25 -5.880 -4.711 -1.695 1.00 41.15 C ATOM 361 CG1 ILE A 25 -4.777 -5.139 -0.673 1.00 61.05 C ATOM 362 CG2 ILE A 25 -5.761 -3.207 -2.052 1.00 63.21 C ATOM 363 CD1 ILE A 25 -3.335 -4.864 -1.104 1.00 14.04 C ATOM 0 H ILE A 25 -6.601 -7.049 -1.017 1.00 40.21 H new ATOM 0 HA ILE A 25 -7.502 -4.584 -0.203 1.00 70.21 H new ATOM 0 HB ILE A 25 -5.720 -5.279 -2.611 1.00 41.15 H new ATOM 0 HG12 ILE A 25 -4.960 -4.623 0.270 1.00 61.05 H new ATOM 0 HG13 ILE A 25 -4.882 -6.206 -0.478 1.00 61.05 H new ATOM 0 HG21 ILE A 25 -4.754 -2.997 -2.413 1.00 63.21 H new ATOM 0 HG22 ILE A 25 -6.484 -2.959 -2.829 1.00 63.21 H new ATOM 0 HG23 ILE A 25 -5.962 -2.606 -1.165 1.00 63.21 H new ATOM 0 HD11 ILE A 25 -2.652 -5.199 -0.323 1.00 14.04 H new ATOM 0 HD12 ILE A 25 -3.122 -5.402 -2.028 1.00 14.04 H new ATOM 0 HD13 ILE A 25 -3.202 -3.795 -1.268 1.00 14.04 H new ATOM 375 N PRO A 26 -8.622 -5.087 -3.405 1.00 14.41 N ATOM 376 CA PRO A 26 -9.593 -4.513 -4.380 1.00 42.11 C ATOM 377 C PRO A 26 -11.082 -4.714 -3.988 1.00 51.54 C ATOM 378 O PRO A 26 -11.946 -3.965 -4.441 1.00 20.04 O ATOM 379 CB PRO A 26 -9.247 -5.240 -5.705 1.00 43.32 C ATOM 380 CG PRO A 26 -8.703 -6.563 -5.272 1.00 24.23 C ATOM 381 CD PRO A 26 -7.952 -6.297 -3.977 1.00 24.22 C ATOM 0 HA PRO A 26 -9.500 -3.428 -4.437 1.00 42.11 H new ATOM 0 HB2 PRO A 26 -10.129 -5.360 -6.335 1.00 43.32 H new ATOM 0 HB3 PRO A 26 -8.514 -4.680 -6.286 1.00 43.32 H new ATOM 0 HG2 PRO A 26 -9.505 -7.284 -5.118 1.00 24.23 H new ATOM 0 HG3 PRO A 26 -8.040 -6.981 -6.030 1.00 24.23 H new ATOM 0 HD2 PRO A 26 -8.017 -7.147 -3.297 1.00 24.22 H new ATOM 0 HD3 PRO A 26 -6.893 -6.116 -4.161 1.00 24.22 H new ATOM 389 N GLU A 27 -11.366 -5.709 -3.136 1.00 62.41 N ATOM 390 CA GLU A 27 -12.737 -5.976 -2.642 1.00 1.31 C ATOM 391 C GLU A 27 -13.082 -4.971 -1.529 1.00 43.55 C ATOM 392 O GLU A 27 -14.171 -4.391 -1.483 1.00 42.23 O ATOM 393 CB GLU A 27 -12.822 -7.419 -2.101 1.00 74.32 C ATOM 394 CG GLU A 27 -14.241 -7.878 -1.699 1.00 61.25 C ATOM 395 CD GLU A 27 -15.291 -7.718 -2.817 1.00 23.24 C ATOM 396 OE1 GLU A 27 -15.274 -8.521 -3.777 1.00 34.43 O ATOM 397 OE2 GLU A 27 -16.140 -6.799 -2.731 1.00 33.40 O ATOM 0 H GLU A 27 -10.663 -6.350 -2.769 1.00 62.41 H new ATOM 0 HA GLU A 27 -13.450 -5.864 -3.459 1.00 1.31 H new ATOM 0 HB2 GLU A 27 -12.437 -8.100 -2.860 1.00 74.32 H new ATOM 0 HB3 GLU A 27 -12.168 -7.506 -1.233 1.00 74.32 H new ATOM 0 HG2 GLU A 27 -14.202 -8.925 -1.398 1.00 61.25 H new ATOM 0 HG3 GLU A 27 -14.563 -7.308 -0.828 1.00 61.25 H new ATOM 404 N LEU A 28 -12.099 -4.800 -0.642 1.00 64.12 N ATOM 405 CA LEU A 28 -12.083 -3.793 0.429 1.00 34.31 C ATOM 406 C LEU A 28 -12.239 -2.363 -0.146 1.00 12.24 C ATOM 407 O LEU A 28 -12.930 -1.525 0.437 1.00 24.23 O ATOM 408 CB LEU A 28 -10.739 -3.958 1.173 1.00 51.40 C ATOM 409 CG LEU A 28 -10.455 -3.045 2.390 1.00 22.51 C ATOM 410 CD1 LEU A 28 -11.534 -3.180 3.490 1.00 12.14 C ATOM 411 CD2 LEU A 28 -9.035 -3.341 2.922 1.00 31.33 C ATOM 0 H LEU A 28 -11.260 -5.379 -0.648 1.00 64.12 H new ATOM 0 HA LEU A 28 -12.920 -3.938 1.112 1.00 34.31 H new ATOM 0 HB2 LEU A 28 -10.671 -4.992 1.511 1.00 51.40 H new ATOM 0 HB3 LEU A 28 -9.938 -3.806 0.450 1.00 51.40 H new ATOM 0 HG LEU A 28 -10.501 -2.005 2.068 1.00 22.51 H new ATOM 0 HD11 LEU A 28 -11.290 -2.520 4.322 1.00 12.14 H new ATOM 0 HD12 LEU A 28 -12.506 -2.905 3.082 1.00 12.14 H new ATOM 0 HD13 LEU A 28 -11.567 -4.211 3.842 1.00 12.14 H new ATOM 0 HD21 LEU A 28 -8.827 -2.701 3.780 1.00 31.33 H new ATOM 0 HD22 LEU A 28 -8.970 -4.386 3.224 1.00 31.33 H new ATOM 0 HD23 LEU A 28 -8.304 -3.144 2.137 1.00 31.33 H new ATOM 423 N ALA A 29 -11.611 -2.134 -1.318 1.00 61.24 N ATOM 424 CA ALA A 29 -11.719 -0.870 -2.082 1.00 41.34 C ATOM 425 C ALA A 29 -13.182 -0.558 -2.484 1.00 23.31 C ATOM 426 O ALA A 29 -13.617 0.590 -2.414 1.00 62.21 O ATOM 427 CB ALA A 29 -10.819 -0.924 -3.330 1.00 41.34 C ATOM 0 H ALA A 29 -11.010 -2.826 -1.766 1.00 61.24 H new ATOM 0 HA ALA A 29 -11.382 -0.063 -1.431 1.00 41.34 H new ATOM 0 HB1 ALA A 29 -10.907 0.011 -3.883 1.00 41.34 H new ATOM 0 HB2 ALA A 29 -9.783 -1.069 -3.025 1.00 41.34 H new ATOM 0 HB3 ALA A 29 -11.129 -1.753 -3.967 1.00 41.34 H new ATOM 433 N ARG A 30 -13.931 -1.605 -2.880 1.00 63.51 N ATOM 434 CA ARG A 30 -15.356 -1.485 -3.272 1.00 72.23 C ATOM 435 C ARG A 30 -16.267 -1.253 -2.038 1.00 74.31 C ATOM 436 O ARG A 30 -17.277 -0.544 -2.128 1.00 45.00 O ATOM 437 CB ARG A 30 -15.804 -2.753 -4.052 1.00 71.44 C ATOM 438 CG ARG A 30 -14.950 -3.043 -5.308 1.00 33.43 C ATOM 439 CD ARG A 30 -15.435 -4.264 -6.110 1.00 75.24 C ATOM 440 NE ARG A 30 -14.542 -4.555 -7.251 1.00 52.30 N ATOM 441 CZ ARG A 30 -14.837 -4.407 -8.528 1.00 72.32 C ATOM 442 NH1 ARG A 30 -15.971 -3.891 -8.912 1.00 73.40 N ATOM 443 NH2 ARG A 30 -13.972 -4.757 -9.424 1.00 35.24 N ATOM 0 H ARG A 30 -13.570 -2.557 -2.938 1.00 63.51 H new ATOM 0 HA ARG A 30 -15.456 -0.615 -3.922 1.00 72.23 H new ATOM 0 HB2 ARG A 30 -15.758 -3.614 -3.385 1.00 71.44 H new ATOM 0 HB3 ARG A 30 -16.846 -2.636 -4.351 1.00 71.44 H new ATOM 0 HG2 ARG A 30 -14.960 -2.166 -5.955 1.00 33.43 H new ATOM 0 HG3 ARG A 30 -13.915 -3.204 -5.005 1.00 33.43 H new ATOM 0 HD2 ARG A 30 -15.485 -5.134 -5.455 1.00 75.24 H new ATOM 0 HD3 ARG A 30 -16.446 -4.082 -6.475 1.00 75.24 H new ATOM 0 HE ARG A 30 -13.609 -4.903 -7.030 1.00 52.30 H new ATOM 0 HH11 ARG A 30 -16.655 -3.590 -8.218 1.00 73.40 H new ATOM 0 HH12 ARG A 30 -16.174 -3.788 -9.906 1.00 73.40 H new ATOM 0 HH21 ARG A 30 -13.072 -5.143 -9.140 1.00 35.24 H new ATOM 0 HH22 ARG A 30 -14.190 -4.647 -10.414 1.00 35.24 H new ATOM 457 N LYS A 31 -15.894 -1.864 -0.890 1.00 4.21 N ATOM 458 CA LYS A 31 -16.594 -1.663 0.408 1.00 55.44 C ATOM 459 C LYS A 31 -16.496 -0.187 0.875 1.00 44.31 C ATOM 460 O LYS A 31 -17.485 0.412 1.315 1.00 13.42 O ATOM 461 CB LYS A 31 -15.994 -2.594 1.500 1.00 31.22 C ATOM 462 CG LYS A 31 -16.113 -4.105 1.203 1.00 51.45 C ATOM 463 CD LYS A 31 -15.477 -4.984 2.304 1.00 64.23 C ATOM 464 CE LYS A 31 -16.126 -4.791 3.688 1.00 13.11 C ATOM 465 NZ LYS A 31 -15.500 -5.646 4.731 1.00 63.22 N ATOM 0 H LYS A 31 -15.105 -2.507 -0.833 1.00 4.21 H new ATOM 0 HA LYS A 31 -17.645 -1.912 0.258 1.00 55.44 H new ATOM 0 HB2 LYS A 31 -14.941 -2.346 1.630 1.00 31.22 H new ATOM 0 HB3 LYS A 31 -16.490 -2.385 2.448 1.00 31.22 H new ATOM 0 HG2 LYS A 31 -17.166 -4.368 1.097 1.00 51.45 H new ATOM 0 HG3 LYS A 31 -15.633 -4.322 0.249 1.00 51.45 H new ATOM 0 HD2 LYS A 31 -15.559 -6.032 2.015 1.00 64.23 H new ATOM 0 HD3 LYS A 31 -14.414 -4.754 2.374 1.00 64.23 H new ATOM 0 HE2 LYS A 31 -16.044 -3.745 3.982 1.00 13.11 H new ATOM 0 HE3 LYS A 31 -17.189 -5.021 3.623 1.00 13.11 H new ATOM 0 HZ1 LYS A 31 -16.167 -6.392 5.015 1.00 63.22 H new ATOM 0 HZ2 LYS A 31 -14.635 -6.081 4.350 1.00 63.22 H new ATOM 0 HZ3 LYS A 31 -15.259 -5.064 5.559 1.00 63.22 H new ATOM 479 N VAL A 32 -15.284 0.383 0.750 1.00 32.52 N ATOM 480 CA VAL A 32 -14.976 1.766 1.197 1.00 33.35 C ATOM 481 C VAL A 32 -15.150 2.806 0.058 1.00 23.03 C ATOM 482 O VAL A 32 -14.996 4.012 0.286 1.00 30.42 O ATOM 483 CB VAL A 32 -13.526 1.836 1.795 1.00 60.54 C ATOM 484 CG1 VAL A 32 -13.376 0.811 2.943 1.00 71.14 C ATOM 485 CG2 VAL A 32 -12.443 1.627 0.707 1.00 54.32 C ATOM 0 H VAL A 32 -14.485 -0.098 0.336 1.00 32.52 H new ATOM 0 HA VAL A 32 -15.695 2.023 1.975 1.00 33.35 H new ATOM 0 HB VAL A 32 -13.375 2.837 2.200 1.00 60.54 H new ATOM 0 HG11 VAL A 32 -12.367 0.867 3.351 1.00 71.14 H new ATOM 0 HG12 VAL A 32 -14.098 1.036 3.728 1.00 71.14 H new ATOM 0 HG13 VAL A 32 -13.557 -0.193 2.560 1.00 71.14 H new ATOM 0 HG21 VAL A 32 -11.454 1.683 1.162 1.00 54.32 H new ATOM 0 HG22 VAL A 32 -12.575 0.648 0.245 1.00 54.32 H new ATOM 0 HG23 VAL A 32 -12.537 2.402 -0.053 1.00 54.32 H new ATOM 495 N ASN A 33 -15.463 2.303 -1.160 1.00 0.05 N ATOM 496 CA ASN A 33 -15.765 3.115 -2.377 1.00 3.35 C ATOM 497 C ASN A 33 -14.526 3.880 -2.939 1.00 54.14 C ATOM 498 O ASN A 33 -14.668 4.753 -3.805 1.00 22.21 O ATOM 499 CB ASN A 33 -16.965 4.075 -2.123 1.00 70.51 C ATOM 500 CG ASN A 33 -18.233 3.328 -1.684 1.00 11.21 C ATOM 501 OD1 ASN A 33 -19.042 2.908 -2.504 1.00 14.34 O ATOM 502 ND2 ASN A 33 -18.420 3.164 -0.386 1.00 22.43 N ATOM 0 H ASN A 33 -15.515 1.299 -1.334 1.00 0.05 H new ATOM 0 HA ASN A 33 -16.049 2.406 -3.155 1.00 3.35 H new ATOM 0 HB2 ASN A 33 -16.690 4.800 -1.357 1.00 70.51 H new ATOM 0 HB3 ASN A 33 -17.175 4.637 -3.033 1.00 70.51 H new ATOM 0 HD21 ASN A 33 -19.251 2.679 -0.048 1.00 22.43 H new ATOM 0 HD22 ASN A 33 -17.733 3.522 0.277 1.00 22.43 H new ATOM 509 N LEU A 34 -13.312 3.514 -2.475 1.00 70.35 N ATOM 510 CA LEU A 34 -12.040 4.136 -2.931 1.00 14.03 C ATOM 511 C LEU A 34 -11.380 3.302 -4.057 1.00 3.12 C ATOM 512 O LEU A 34 -11.825 2.190 -4.371 1.00 51.52 O ATOM 513 CB LEU A 34 -11.050 4.285 -1.733 1.00 74.15 C ATOM 514 CG LEU A 34 -11.568 5.102 -0.501 1.00 52.54 C ATOM 515 CD1 LEU A 34 -10.554 5.065 0.666 1.00 10.11 C ATOM 516 CD2 LEU A 34 -11.923 6.555 -0.895 1.00 72.00 C ATOM 0 H LEU A 34 -13.181 2.782 -1.776 1.00 70.35 H new ATOM 0 HA LEU A 34 -12.275 5.123 -3.329 1.00 14.03 H new ATOM 0 HB2 LEU A 34 -10.775 3.287 -1.391 1.00 74.15 H new ATOM 0 HB3 LEU A 34 -10.139 4.759 -2.099 1.00 74.15 H new ATOM 0 HG LEU A 34 -12.485 4.625 -0.154 1.00 52.54 H new ATOM 0 HD11 LEU A 34 -10.944 5.641 1.505 1.00 10.11 H new ATOM 0 HD12 LEU A 34 -10.395 4.033 0.977 1.00 10.11 H new ATOM 0 HD13 LEU A 34 -9.607 5.495 0.339 1.00 10.11 H new ATOM 0 HD21 LEU A 34 -12.279 7.094 -0.017 1.00 72.00 H new ATOM 0 HD22 LEU A 34 -11.037 7.052 -1.291 1.00 72.00 H new ATOM 0 HD23 LEU A 34 -12.704 6.545 -1.656 1.00 72.00 H new ATOM 528 N SER A 35 -10.328 3.873 -4.678 1.00 41.32 N ATOM 529 CA SER A 35 -9.451 3.144 -5.628 1.00 21.31 C ATOM 530 C SER A 35 -8.635 2.044 -4.916 1.00 33.43 C ATOM 531 O SER A 35 -8.303 2.176 -3.731 1.00 31.23 O ATOM 532 CB SER A 35 -8.481 4.129 -6.334 1.00 74.11 C ATOM 533 OG SER A 35 -7.547 3.445 -7.163 1.00 32.52 O ATOM 0 H SER A 35 -10.060 4.847 -4.539 1.00 41.32 H new ATOM 0 HA SER A 35 -10.096 2.671 -6.369 1.00 21.31 H new ATOM 0 HB2 SER A 35 -9.053 4.835 -6.936 1.00 74.11 H new ATOM 0 HB3 SER A 35 -7.944 4.711 -5.585 1.00 74.11 H new ATOM 0 HG SER A 35 -6.953 4.096 -7.593 1.00 32.52 H new ATOM 539 N VAL A 36 -8.305 0.972 -5.664 1.00 24.34 N ATOM 540 CA VAL A 36 -7.457 -0.144 -5.172 1.00 61.53 C ATOM 541 C VAL A 36 -6.090 0.376 -4.662 1.00 31.22 C ATOM 542 O VAL A 36 -5.613 -0.037 -3.605 1.00 34.43 O ATOM 543 CB VAL A 36 -7.217 -1.218 -6.296 1.00 14.24 C ATOM 544 CG1 VAL A 36 -6.383 -2.418 -5.774 1.00 72.42 C ATOM 545 CG2 VAL A 36 -8.559 -1.692 -6.902 1.00 73.34 C ATOM 0 H VAL A 36 -8.617 0.851 -6.628 1.00 24.34 H new ATOM 0 HA VAL A 36 -7.993 -0.610 -4.345 1.00 61.53 H new ATOM 0 HB VAL A 36 -6.638 -0.742 -7.087 1.00 14.24 H new ATOM 0 HG11 VAL A 36 -6.238 -3.138 -6.579 1.00 72.42 H new ATOM 0 HG12 VAL A 36 -5.413 -2.063 -5.426 1.00 72.42 H new ATOM 0 HG13 VAL A 36 -6.911 -2.897 -4.949 1.00 72.42 H new ATOM 0 HG21 VAL A 36 -8.366 -2.434 -7.677 1.00 73.34 H new ATOM 0 HG22 VAL A 36 -9.175 -2.135 -6.120 1.00 73.34 H new ATOM 0 HG23 VAL A 36 -9.083 -0.841 -7.337 1.00 73.34 H new ATOM 555 N GLU A 37 -5.496 1.300 -5.442 1.00 11.02 N ATOM 556 CA GLU A 37 -4.221 1.973 -5.094 1.00 34.01 C ATOM 557 C GLU A 37 -4.330 2.776 -3.772 1.00 33.11 C ATOM 558 O GLU A 37 -3.454 2.682 -2.910 1.00 44.31 O ATOM 559 CB GLU A 37 -3.780 2.912 -6.245 1.00 13.21 C ATOM 560 CG GLU A 37 -3.635 2.220 -7.607 1.00 70.14 C ATOM 561 CD GLU A 37 -3.122 3.172 -8.703 1.00 14.12 C ATOM 562 OE1 GLU A 37 -3.949 3.876 -9.327 1.00 64.42 O ATOM 563 OE2 GLU A 37 -1.890 3.217 -8.942 1.00 34.12 O ATOM 0 H GLU A 37 -5.885 1.604 -6.335 1.00 11.02 H new ATOM 0 HA GLU A 37 -3.472 1.195 -4.949 1.00 34.01 H new ATOM 0 HB2 GLU A 37 -4.506 3.720 -6.337 1.00 13.21 H new ATOM 0 HB3 GLU A 37 -2.827 3.369 -5.980 1.00 13.21 H new ATOM 0 HG2 GLU A 37 -2.949 1.378 -7.512 1.00 70.14 H new ATOM 0 HG3 GLU A 37 -4.600 1.812 -7.908 1.00 70.14 H new ATOM 570 N SER A 38 -5.430 3.549 -3.629 1.00 24.22 N ATOM 571 CA SER A 38 -5.714 4.357 -2.408 1.00 31.30 C ATOM 572 C SER A 38 -5.974 3.464 -1.168 1.00 13.44 C ATOM 573 O SER A 38 -5.654 3.849 -0.042 1.00 15.30 O ATOM 574 CB SER A 38 -6.917 5.308 -2.649 1.00 64.13 C ATOM 575 OG SER A 38 -6.616 6.291 -3.636 1.00 1.25 O ATOM 0 H SER A 38 -6.147 3.634 -4.350 1.00 24.22 H new ATOM 0 HA SER A 38 -4.825 4.954 -2.203 1.00 31.30 H new ATOM 0 HB2 SER A 38 -7.784 4.727 -2.965 1.00 64.13 H new ATOM 0 HB3 SER A 38 -7.186 5.800 -1.714 1.00 64.13 H new ATOM 0 HG SER A 38 -7.394 6.873 -3.766 1.00 1.25 H new ATOM 581 N THR A 39 -6.534 2.264 -1.405 1.00 0.44 N ATOM 582 CA THR A 39 -6.865 1.290 -0.336 1.00 2.41 C ATOM 583 C THR A 39 -5.615 0.493 0.119 1.00 30.42 C ATOM 584 O THR A 39 -5.444 0.250 1.306 1.00 33.44 O ATOM 585 CB THR A 39 -7.991 0.309 -0.806 1.00 21.12 C ATOM 586 OG1 THR A 39 -9.159 1.067 -1.167 1.00 32.21 O ATOM 587 CG2 THR A 39 -8.384 -0.719 0.271 1.00 63.44 C ATOM 0 H THR A 39 -6.772 1.937 -2.342 1.00 0.44 H new ATOM 0 HA THR A 39 -7.229 1.859 0.519 1.00 2.41 H new ATOM 0 HB THR A 39 -7.595 -0.244 -1.658 1.00 21.12 H new ATOM 0 HG1 THR A 39 -9.004 1.520 -2.022 1.00 32.21 H new ATOM 0 HG21 THR A 39 -9.168 -1.369 -0.116 1.00 63.44 H new ATOM 0 HG22 THR A 39 -7.513 -1.319 0.536 1.00 63.44 H new ATOM 0 HG23 THR A 39 -8.749 -0.197 1.156 1.00 63.44 H new ATOM 595 N ALA A 40 -4.737 0.111 -0.835 1.00 63.21 N ATOM 596 CA ALA A 40 -3.455 -0.602 -0.541 1.00 40.13 C ATOM 597 C ALA A 40 -2.495 0.294 0.275 1.00 52.43 C ATOM 598 O ALA A 40 -1.787 -0.166 1.174 1.00 1.53 O ATOM 599 CB ALA A 40 -2.783 -1.030 -1.857 1.00 74.34 C ATOM 0 H ALA A 40 -4.888 0.283 -1.829 1.00 63.21 H new ATOM 0 HA ALA A 40 -3.683 -1.486 0.055 1.00 40.13 H new ATOM 0 HB1 ALA A 40 -1.850 -1.549 -1.637 1.00 74.34 H new ATOM 0 HB2 ALA A 40 -3.448 -1.697 -2.405 1.00 74.34 H new ATOM 0 HB3 ALA A 40 -2.574 -0.148 -2.462 1.00 74.34 H new ATOM 605 N LEU A 41 -2.502 1.580 -0.091 1.00 22.22 N ATOM 606 CA LEU A 41 -1.753 2.653 0.590 1.00 5.25 C ATOM 607 C LEU A 41 -2.365 2.948 1.997 1.00 31.30 C ATOM 608 O LEU A 41 -1.626 3.185 2.958 1.00 43.23 O ATOM 609 CB LEU A 41 -1.720 3.883 -0.389 1.00 63.25 C ATOM 610 CG LEU A 41 -1.189 5.284 0.087 1.00 62.15 C ATOM 611 CD1 LEU A 41 -2.292 6.092 0.776 1.00 20.43 C ATOM 612 CD2 LEU A 41 0.074 5.177 0.972 1.00 74.10 C ATOM 0 H LEU A 41 -3.041 1.917 -0.889 1.00 22.22 H new ATOM 0 HA LEU A 41 -0.723 2.367 0.805 1.00 5.25 H new ATOM 0 HB2 LEU A 41 -1.119 3.590 -1.250 1.00 63.25 H new ATOM 0 HB3 LEU A 41 -2.738 4.033 -0.748 1.00 63.25 H new ATOM 0 HG LEU A 41 -0.888 5.824 -0.811 1.00 62.15 H new ATOM 0 HD11 LEU A 41 -1.893 7.055 1.093 1.00 20.43 H new ATOM 0 HD12 LEU A 41 -3.115 6.252 0.080 1.00 20.43 H new ATOM 0 HD13 LEU A 41 -2.654 5.545 1.646 1.00 20.43 H new ATOM 0 HD21 LEU A 41 0.395 6.175 1.270 1.00 74.10 H new ATOM 0 HD22 LEU A 41 -0.153 4.588 1.861 1.00 74.10 H new ATOM 0 HD23 LEU A 41 0.872 4.692 0.410 1.00 74.10 H new ATOM 624 N ALA A 42 -3.713 2.902 2.113 1.00 53.13 N ATOM 625 CA ALA A 42 -4.424 3.090 3.412 1.00 51.14 C ATOM 626 C ALA A 42 -4.149 1.913 4.393 1.00 3.20 C ATOM 627 O ALA A 42 -3.977 2.121 5.597 1.00 0.12 O ATOM 628 CB ALA A 42 -5.936 3.264 3.176 1.00 71.41 C ATOM 0 H ALA A 42 -4.337 2.736 1.323 1.00 53.13 H new ATOM 0 HA ALA A 42 -4.036 3.997 3.876 1.00 51.14 H new ATOM 0 HB1 ALA A 42 -6.440 3.400 4.133 1.00 71.41 H new ATOM 0 HB2 ALA A 42 -6.108 4.138 2.548 1.00 71.41 H new ATOM 0 HB3 ALA A 42 -6.331 2.377 2.680 1.00 71.41 H new ATOM 634 N VAL A 43 -4.112 0.676 3.852 1.00 72.23 N ATOM 635 CA VAL A 43 -3.706 -0.543 4.598 1.00 63.31 C ATOM 636 C VAL A 43 -2.207 -0.484 4.995 1.00 4.32 C ATOM 637 O VAL A 43 -1.834 -0.897 6.096 1.00 13.50 O ATOM 638 CB VAL A 43 -4.001 -1.847 3.755 1.00 1.30 C ATOM 639 CG1 VAL A 43 -3.392 -3.121 4.399 1.00 2.43 C ATOM 640 CG2 VAL A 43 -5.528 -2.019 3.522 1.00 72.31 C ATOM 0 H VAL A 43 -4.363 0.490 2.881 1.00 72.23 H new ATOM 0 HA VAL A 43 -4.299 -0.582 5.512 1.00 63.31 H new ATOM 0 HB VAL A 43 -3.513 -1.718 2.789 1.00 1.30 H new ATOM 0 HG11 VAL A 43 -3.624 -3.988 3.780 1.00 2.43 H new ATOM 0 HG12 VAL A 43 -2.311 -3.009 4.476 1.00 2.43 H new ATOM 0 HG13 VAL A 43 -3.813 -3.263 5.394 1.00 2.43 H new ATOM 0 HG21 VAL A 43 -5.708 -2.923 2.940 1.00 72.31 H new ATOM 0 HG22 VAL A 43 -6.036 -2.100 4.483 1.00 72.31 H new ATOM 0 HG23 VAL A 43 -5.913 -1.155 2.980 1.00 72.31 H new ATOM 650 N GLY A 44 -1.368 0.049 4.086 1.00 13.44 N ATOM 651 CA GLY A 44 0.058 0.280 4.369 1.00 60.13 C ATOM 652 C GLY A 44 0.285 1.318 5.481 1.00 31.23 C ATOM 653 O GLY A 44 1.243 1.218 6.261 1.00 61.44 O ATOM 0 H GLY A 44 -1.656 0.328 3.148 1.00 13.44 H new ATOM 0 HA2 GLY A 44 0.524 -0.662 4.658 1.00 60.13 H new ATOM 0 HA3 GLY A 44 0.555 0.615 3.459 1.00 60.13 H new ATOM 657 N TRP A 45 -0.624 2.311 5.549 1.00 45.30 N ATOM 658 CA TRP A 45 -0.646 3.324 6.621 1.00 63.04 C ATOM 659 C TRP A 45 -1.063 2.676 7.967 1.00 41.33 C ATOM 660 O TRP A 45 -0.499 2.985 9.008 1.00 52.12 O ATOM 661 CB TRP A 45 -1.606 4.486 6.247 1.00 50.52 C ATOM 662 CG TRP A 45 -1.591 5.641 7.231 1.00 40.54 C ATOM 663 CD1 TRP A 45 -2.526 5.935 8.193 1.00 14.35 C ATOM 664 CD2 TRP A 45 -0.571 6.643 7.350 1.00 62.44 C ATOM 665 NE1 TRP A 45 -2.150 7.056 8.884 1.00 74.30 N ATOM 666 CE2 TRP A 45 -0.957 7.511 8.387 1.00 52.13 C ATOM 667 CE3 TRP A 45 0.629 6.893 6.669 1.00 10.12 C ATOM 668 CZ2 TRP A 45 -0.185 8.612 8.761 1.00 15.44 C ATOM 669 CZ3 TRP A 45 1.396 7.984 7.042 1.00 62.12 C ATOM 670 CH2 TRP A 45 0.984 8.834 8.080 1.00 35.41 C ATOM 0 H TRP A 45 -1.366 2.433 4.859 1.00 45.30 H new ATOM 0 HA TRP A 45 0.357 3.734 6.736 1.00 63.04 H new ATOM 0 HB2 TRP A 45 -1.339 4.861 5.259 1.00 50.52 H new ATOM 0 HB3 TRP A 45 -2.621 4.096 6.176 1.00 50.52 H new ATOM 0 HD1 TRP A 45 -3.425 5.366 8.377 1.00 14.35 H new ATOM 0 HE1 TRP A 45 -2.674 7.484 9.647 1.00 74.30 H new ATOM 0 HE3 TRP A 45 0.950 6.245 5.867 1.00 10.12 H new ATOM 0 HZ2 TRP A 45 -0.498 9.267 9.560 1.00 15.44 H new ATOM 0 HZ3 TRP A 45 2.324 8.184 6.527 1.00 62.12 H new ATOM 0 HH2 TRP A 45 1.600 9.680 8.348 1.00 35.41 H new ATOM 681 N LEU A 46 -2.053 1.763 7.920 1.00 22.14 N ATOM 682 CA LEU A 46 -2.491 0.983 9.108 1.00 13.41 C ATOM 683 C LEU A 46 -1.388 0.005 9.594 1.00 20.20 C ATOM 684 O LEU A 46 -1.296 -0.278 10.785 1.00 41.24 O ATOM 685 CB LEU A 46 -3.794 0.208 8.797 1.00 71.02 C ATOM 686 CG LEU A 46 -5.070 1.066 8.562 1.00 63.31 C ATOM 687 CD1 LEU A 46 -6.246 0.181 8.111 1.00 2.44 C ATOM 688 CD2 LEU A 46 -5.429 1.893 9.821 1.00 13.41 C ATOM 0 H LEU A 46 -2.571 1.542 7.069 1.00 22.14 H new ATOM 0 HA LEU A 46 -2.682 1.693 9.912 1.00 13.41 H new ATOM 0 HB2 LEU A 46 -3.625 -0.403 7.910 1.00 71.02 H new ATOM 0 HB3 LEU A 46 -3.990 -0.476 9.623 1.00 71.02 H new ATOM 0 HG LEU A 46 -4.860 1.774 7.760 1.00 63.31 H new ATOM 0 HD11 LEU A 46 -7.128 0.801 7.952 1.00 2.44 H new ATOM 0 HD12 LEU A 46 -5.985 -0.324 7.181 1.00 2.44 H new ATOM 0 HD13 LEU A 46 -6.458 -0.562 8.880 1.00 2.44 H new ATOM 0 HD21 LEU A 46 -6.325 2.482 9.626 1.00 13.41 H new ATOM 0 HD22 LEU A 46 -5.613 1.220 10.658 1.00 13.41 H new ATOM 0 HD23 LEU A 46 -4.602 2.560 10.066 1.00 13.41 H new ATOM 700 N ALA A 47 -0.584 -0.530 8.652 1.00 33.15 N ATOM 701 CA ALA A 47 0.619 -1.341 8.969 1.00 34.32 C ATOM 702 C ALA A 47 1.648 -0.513 9.785 1.00 13.33 C ATOM 703 O ALA A 47 2.269 -1.022 10.721 1.00 11.30 O ATOM 704 CB ALA A 47 1.245 -1.897 7.674 1.00 51.11 C ATOM 0 H ALA A 47 -0.746 -0.415 7.652 1.00 33.15 H new ATOM 0 HA ALA A 47 0.315 -2.185 9.588 1.00 34.32 H new ATOM 0 HB1 ALA A 47 2.126 -2.489 7.921 1.00 51.11 H new ATOM 0 HB2 ALA A 47 0.518 -2.525 7.159 1.00 51.11 H new ATOM 0 HB3 ALA A 47 1.534 -1.070 7.025 1.00 51.11 H new ATOM 710 N ARG A 48 1.809 0.773 9.426 1.00 70.41 N ATOM 711 CA ARG A 48 2.555 1.754 10.247 1.00 41.22 C ATOM 712 C ARG A 48 1.916 1.908 11.662 1.00 14.13 C ATOM 713 O ARG A 48 2.607 1.813 12.685 1.00 4.23 O ATOM 714 CB ARG A 48 2.582 3.126 9.512 1.00 33.12 C ATOM 715 CG ARG A 48 2.877 4.338 10.418 1.00 43.14 C ATOM 716 CD ARG A 48 2.703 5.682 9.708 1.00 4.22 C ATOM 717 NE ARG A 48 2.767 6.785 10.680 1.00 74.41 N ATOM 718 CZ ARG A 48 3.471 7.884 10.560 1.00 15.24 C ATOM 719 NH1 ARG A 48 4.189 8.122 9.497 1.00 22.33 N ATOM 720 NH2 ARG A 48 3.452 8.750 11.517 1.00 61.54 N ATOM 0 H ARG A 48 1.429 1.164 8.564 1.00 70.41 H new ATOM 0 HA ARG A 48 3.574 1.393 10.383 1.00 41.22 H new ATOM 0 HB2 ARG A 48 3.335 3.086 8.725 1.00 33.12 H new ATOM 0 HB3 ARG A 48 1.619 3.280 9.024 1.00 33.12 H new ATOM 0 HG2 ARG A 48 2.216 4.305 11.284 1.00 43.14 H new ATOM 0 HG3 ARG A 48 3.898 4.263 10.793 1.00 43.14 H new ATOM 0 HD2 ARG A 48 3.481 5.806 8.955 1.00 4.22 H new ATOM 0 HD3 ARG A 48 1.747 5.704 9.185 1.00 4.22 H new ATOM 0 HE ARG A 48 2.210 6.685 11.529 1.00 74.41 H new ATOM 0 HH11 ARG A 48 4.211 7.445 8.735 1.00 22.33 H new ATOM 0 HH12 ARG A 48 4.728 8.985 9.428 1.00 22.33 H new ATOM 0 HH21 ARG A 48 2.894 8.574 12.353 1.00 61.54 H new ATOM 0 HH22 ARG A 48 3.995 9.610 11.438 1.00 61.54 H new ATOM 734 N GLU A 49 0.588 2.127 11.687 1.00 53.52 N ATOM 735 CA GLU A 49 -0.186 2.394 12.929 1.00 71.03 C ATOM 736 C GLU A 49 -0.433 1.106 13.773 1.00 14.41 C ATOM 737 O GLU A 49 -1.063 1.174 14.836 1.00 44.34 O ATOM 738 CB GLU A 49 -1.545 3.065 12.557 1.00 53.21 C ATOM 739 CG GLU A 49 -1.441 4.349 11.692 1.00 40.23 C ATOM 740 CD GLU A 49 -0.804 5.558 12.411 1.00 71.43 C ATOM 741 OE1 GLU A 49 0.438 5.712 12.384 1.00 40.40 O ATOM 742 OE2 GLU A 49 -1.548 6.368 13.001 1.00 2.43 O ATOM 0 H GLU A 49 0.012 2.125 10.845 1.00 53.52 H new ATOM 0 HA GLU A 49 0.408 3.065 13.550 1.00 71.03 H new ATOM 0 HB2 GLU A 49 -2.156 2.337 12.023 1.00 53.21 H new ATOM 0 HB3 GLU A 49 -2.073 3.310 13.478 1.00 53.21 H new ATOM 0 HG2 GLU A 49 -0.856 4.124 10.800 1.00 40.23 H new ATOM 0 HG3 GLU A 49 -2.440 4.627 11.357 1.00 40.23 H new ATOM 749 N ASN A 50 0.048 -0.060 13.266 1.00 33.40 N ATOM 750 CA ASN A 50 -0.049 -1.387 13.940 1.00 40.14 C ATOM 751 C ASN A 50 -1.522 -1.830 14.175 1.00 55.32 C ATOM 752 O ASN A 50 -1.850 -2.499 15.161 1.00 15.43 O ATOM 753 CB ASN A 50 0.776 -1.399 15.256 1.00 70.41 C ATOM 754 CG ASN A 50 2.261 -1.115 15.038 1.00 71.13 C ATOM 755 OD1 ASN A 50 2.823 -1.396 13.979 1.00 40.20 O ATOM 756 ND2 ASN A 50 2.913 -0.570 16.042 1.00 73.22 N ATOM 0 H ASN A 50 0.522 -0.107 12.364 1.00 33.40 H new ATOM 0 HA ASN A 50 0.384 -2.125 13.265 1.00 40.14 H new ATOM 0 HB2 ASN A 50 0.367 -0.656 15.940 1.00 70.41 H new ATOM 0 HB3 ASN A 50 0.665 -2.371 15.738 1.00 70.41 H new ATOM 0 HD21 ASN A 50 3.909 -0.370 15.954 1.00 73.22 H new ATOM 0 HD22 ASN A 50 2.422 -0.347 16.908 1.00 73.22 H new ATOM 763 N LYS A 51 -2.391 -1.446 13.231 1.00 65.11 N ATOM 764 CA LYS A 51 -3.821 -1.794 13.235 1.00 61.31 C ATOM 765 C LYS A 51 -4.114 -3.076 12.421 1.00 34.04 C ATOM 766 O LYS A 51 -5.139 -3.726 12.651 1.00 22.04 O ATOM 767 CB LYS A 51 -4.632 -0.609 12.646 1.00 71.33 C ATOM 768 CG LYS A 51 -4.537 0.743 13.409 1.00 14.51 C ATOM 769 CD LYS A 51 -5.531 0.897 14.597 1.00 72.32 C ATOM 770 CE LYS A 51 -5.160 0.089 15.856 1.00 22.41 C ATOM 771 NZ LYS A 51 -6.020 0.460 17.015 1.00 60.23 N ATOM 0 H LYS A 51 -2.118 -0.876 12.430 1.00 65.11 H new ATOM 0 HA LYS A 51 -4.116 -1.988 14.266 1.00 61.31 H new ATOM 0 HB2 LYS A 51 -4.302 -0.446 11.620 1.00 71.33 H new ATOM 0 HB3 LYS A 51 -5.681 -0.902 12.600 1.00 71.33 H new ATOM 0 HG2 LYS A 51 -3.521 0.860 13.787 1.00 14.51 H new ATOM 0 HG3 LYS A 51 -4.709 1.555 12.703 1.00 14.51 H new ATOM 0 HD2 LYS A 51 -5.595 1.952 14.865 1.00 72.32 H new ATOM 0 HD3 LYS A 51 -6.523 0.591 14.265 1.00 72.32 H new ATOM 0 HE2 LYS A 51 -5.265 -0.976 15.650 1.00 22.41 H new ATOM 0 HE3 LYS A 51 -4.114 0.264 16.107 1.00 22.41 H new ATOM 0 HZ1 LYS A 51 -5.744 -0.102 17.846 1.00 60.23 H new ATOM 0 HZ2 LYS A 51 -5.901 1.471 17.226 1.00 60.23 H new ATOM 0 HZ3 LYS A 51 -7.016 0.270 16.783 1.00 60.23 H new ATOM 785 N VAL A 52 -3.225 -3.432 11.457 1.00 13.43 N ATOM 786 CA VAL A 52 -3.478 -4.559 10.511 1.00 60.15 C ATOM 787 C VAL A 52 -2.245 -5.476 10.301 1.00 64.14 C ATOM 788 O VAL A 52 -1.094 -5.066 10.484 1.00 4.00 O ATOM 789 CB VAL A 52 -3.991 -4.074 9.090 1.00 25.32 C ATOM 790 CG1 VAL A 52 -5.328 -3.296 9.192 1.00 41.53 C ATOM 791 CG2 VAL A 52 -2.905 -3.267 8.339 1.00 21.54 C ATOM 0 H VAL A 52 -2.332 -2.961 11.312 1.00 13.43 H new ATOM 0 HA VAL A 52 -4.265 -5.135 10.999 1.00 60.15 H new ATOM 0 HB VAL A 52 -4.193 -4.967 8.498 1.00 25.32 H new ATOM 0 HG11 VAL A 52 -5.643 -2.982 8.197 1.00 41.53 H new ATOM 0 HG12 VAL A 52 -6.091 -3.940 9.628 1.00 41.53 H new ATOM 0 HG13 VAL A 52 -5.191 -2.418 9.823 1.00 41.53 H new ATOM 0 HG21 VAL A 52 -3.291 -2.951 7.370 1.00 21.54 H new ATOM 0 HG22 VAL A 52 -2.634 -2.389 8.925 1.00 21.54 H new ATOM 0 HG23 VAL A 52 -2.024 -3.892 8.192 1.00 21.54 H new ATOM 801 N VAL A 53 -2.538 -6.725 9.872 1.00 3.11 N ATOM 802 CA VAL A 53 -1.539 -7.758 9.503 1.00 5.44 C ATOM 803 C VAL A 53 -1.931 -8.423 8.157 1.00 1.30 C ATOM 804 O VAL A 53 -3.115 -8.617 7.865 1.00 44.41 O ATOM 805 CB VAL A 53 -1.380 -8.856 10.625 1.00 11.20 C ATOM 806 CG1 VAL A 53 -0.463 -8.353 11.767 1.00 43.23 C ATOM 807 CG2 VAL A 53 -2.762 -9.299 11.172 1.00 42.12 C ATOM 0 H VAL A 53 -3.499 -7.052 9.770 1.00 3.11 H new ATOM 0 HA VAL A 53 -0.576 -7.258 9.395 1.00 5.44 H new ATOM 0 HB VAL A 53 -0.906 -9.728 10.175 1.00 11.20 H new ATOM 0 HG11 VAL A 53 -0.370 -9.129 12.527 1.00 43.23 H new ATOM 0 HG12 VAL A 53 0.523 -8.118 11.365 1.00 43.23 H new ATOM 0 HG13 VAL A 53 -0.896 -7.458 12.213 1.00 43.23 H new ATOM 0 HG21 VAL A 53 -2.622 -10.056 11.944 1.00 42.12 H new ATOM 0 HG22 VAL A 53 -3.278 -8.438 11.597 1.00 42.12 H new ATOM 0 HG23 VAL A 53 -3.359 -9.715 10.360 1.00 42.12 H new ATOM 817 N ILE A 54 -0.914 -8.765 7.341 1.00 75.14 N ATOM 818 CA ILE A 54 -1.103 -9.240 5.946 1.00 72.03 C ATOM 819 C ILE A 54 -0.784 -10.758 5.824 1.00 54.31 C ATOM 820 O ILE A 54 0.282 -11.212 6.247 1.00 75.25 O ATOM 821 CB ILE A 54 -0.214 -8.392 4.932 1.00 11.22 C ATOM 822 CG1 ILE A 54 -0.791 -6.931 4.739 1.00 34.53 C ATOM 823 CG2 ILE A 54 -0.036 -9.110 3.560 1.00 74.22 C ATOM 824 CD1 ILE A 54 -0.595 -5.964 5.904 1.00 54.11 C ATOM 0 H ILE A 54 0.064 -8.721 7.626 1.00 75.14 H new ATOM 0 HA ILE A 54 -2.151 -9.095 5.682 1.00 72.03 H new ATOM 0 HB ILE A 54 0.776 -8.306 5.380 1.00 11.22 H new ATOM 0 HG12 ILE A 54 -0.330 -6.496 3.853 1.00 34.53 H new ATOM 0 HG13 ILE A 54 -1.859 -7.010 4.536 1.00 34.53 H new ATOM 0 HG21 ILE A 54 0.577 -8.493 2.903 1.00 74.22 H new ATOM 0 HG22 ILE A 54 0.452 -10.072 3.714 1.00 74.22 H new ATOM 0 HG23 ILE A 54 -1.013 -9.268 3.102 1.00 74.22 H new ATOM 0 HD11 ILE A 54 -1.032 -4.998 5.652 1.00 54.11 H new ATOM 0 HD12 ILE A 54 -1.083 -6.362 6.794 1.00 54.11 H new ATOM 0 HD13 ILE A 54 0.470 -5.841 6.099 1.00 54.11 H new ATOM 836 N GLU A 55 -1.731 -11.525 5.237 1.00 51.33 N ATOM 837 CA GLU A 55 -1.577 -12.973 4.944 1.00 35.52 C ATOM 838 C GLU A 55 -1.596 -13.204 3.414 1.00 33.24 C ATOM 839 O GLU A 55 -2.585 -12.870 2.753 1.00 55.53 O ATOM 840 CB GLU A 55 -2.735 -13.775 5.603 1.00 5.23 C ATOM 841 CG GLU A 55 -2.851 -13.626 7.134 1.00 31.04 C ATOM 842 CD GLU A 55 -1.609 -14.106 7.903 1.00 22.43 C ATOM 843 OE1 GLU A 55 -1.320 -15.326 7.884 1.00 15.42 O ATOM 844 OE2 GLU A 55 -0.933 -13.284 8.552 1.00 54.31 O ATOM 0 H GLU A 55 -2.636 -11.153 4.949 1.00 51.33 H new ATOM 0 HA GLU A 55 -0.625 -13.316 5.351 1.00 35.52 H new ATOM 0 HB2 GLU A 55 -3.676 -13.461 5.151 1.00 5.23 H new ATOM 0 HB3 GLU A 55 -2.605 -14.831 5.366 1.00 5.23 H new ATOM 0 HG2 GLU A 55 -3.033 -12.578 7.374 1.00 31.04 H new ATOM 0 HG3 GLU A 55 -3.719 -14.187 7.479 1.00 31.04 H new ATOM 851 N ARG A 56 -0.504 -13.751 2.844 1.00 53.34 N ATOM 852 CA ARG A 56 -0.443 -14.067 1.393 1.00 62.40 C ATOM 853 C ARG A 56 -0.690 -15.564 1.140 1.00 63.22 C ATOM 854 O ARG A 56 -0.007 -16.428 1.702 1.00 52.40 O ATOM 855 CB ARG A 56 0.898 -13.625 0.762 1.00 62.23 C ATOM 856 CG ARG A 56 1.099 -12.097 0.731 1.00 64.41 C ATOM 857 CD ARG A 56 2.441 -11.692 0.109 1.00 32.40 C ATOM 858 NE ARG A 56 2.651 -10.234 0.148 1.00 73.24 N ATOM 859 CZ ARG A 56 3.639 -9.603 -0.447 1.00 12.14 C ATOM 860 NH1 ARG A 56 4.498 -10.243 -1.178 1.00 2.45 N ATOM 861 NH2 ARG A 56 3.761 -8.321 -0.318 1.00 12.43 N ATOM 0 H ARG A 56 0.346 -13.984 3.358 1.00 53.34 H new ATOM 0 HA ARG A 56 -1.239 -13.499 0.910 1.00 62.40 H new ATOM 0 HB2 ARG A 56 1.718 -14.078 1.319 1.00 62.23 H new ATOM 0 HB3 ARG A 56 0.954 -14.010 -0.256 1.00 62.23 H new ATOM 0 HG2 ARG A 56 0.288 -11.639 0.166 1.00 64.41 H new ATOM 0 HG3 ARG A 56 1.040 -11.706 1.747 1.00 64.41 H new ATOM 0 HD2 ARG A 56 3.252 -12.189 0.641 1.00 32.40 H new ATOM 0 HD3 ARG A 56 2.480 -12.036 -0.924 1.00 32.40 H new ATOM 0 HE ARG A 56 1.981 -9.674 0.675 1.00 73.24 H new ATOM 0 HH11 ARG A 56 4.413 -11.252 -1.299 1.00 2.45 H new ATOM 0 HH12 ARG A 56 5.258 -9.737 -1.632 1.00 2.45 H new ATOM 0 HH21 ARG A 56 3.090 -7.799 0.246 1.00 12.43 H new ATOM 0 HH22 ARG A 56 4.528 -7.833 -0.780 1.00 12.43 H new ATOM 875 N LYS A 57 -1.670 -15.843 0.274 1.00 10.33 N ATOM 876 CA LYS A 57 -2.095 -17.209 -0.076 1.00 53.01 C ATOM 877 C LYS A 57 -2.652 -17.235 -1.518 1.00 31.02 C ATOM 878 O LYS A 57 -3.469 -16.384 -1.892 1.00 31.45 O ATOM 879 CB LYS A 57 -3.142 -17.714 0.956 1.00 33.03 C ATOM 880 CG LYS A 57 -4.339 -16.758 1.173 1.00 13.45 C ATOM 881 CD LYS A 57 -5.245 -17.142 2.367 1.00 72.33 C ATOM 882 CE LYS A 57 -6.030 -18.464 2.190 1.00 10.40 C ATOM 883 NZ LYS A 57 -5.199 -19.677 2.428 1.00 65.15 N ATOM 0 H LYS A 57 -2.199 -15.119 -0.212 1.00 10.33 H new ATOM 0 HA LYS A 57 -1.239 -17.882 -0.040 1.00 53.01 H new ATOM 0 HB2 LYS A 57 -3.521 -18.682 0.627 1.00 33.03 H new ATOM 0 HB3 LYS A 57 -2.643 -17.875 1.912 1.00 33.03 H new ATOM 0 HG2 LYS A 57 -3.960 -15.748 1.328 1.00 13.45 H new ATOM 0 HG3 LYS A 57 -4.942 -16.736 0.265 1.00 13.45 H new ATOM 0 HD2 LYS A 57 -4.628 -17.220 3.262 1.00 72.33 H new ATOM 0 HD3 LYS A 57 -5.956 -16.334 2.539 1.00 72.33 H new ATOM 0 HE2 LYS A 57 -6.876 -18.471 2.877 1.00 10.40 H new ATOM 0 HE3 LYS A 57 -6.439 -18.504 1.180 1.00 10.40 H new ATOM 0 HZ1 LYS A 57 -5.111 -20.217 1.543 1.00 65.15 H new ATOM 0 HZ2 LYS A 57 -4.254 -19.392 2.755 1.00 65.15 H new ATOM 0 HZ3 LYS A 57 -5.651 -20.271 3.152 1.00 65.15 H new ATOM 897 N ASN A 58 -2.167 -18.208 -2.323 1.00 53.42 N ATOM 898 CA ASN A 58 -2.468 -18.337 -3.779 1.00 2.33 C ATOM 899 C ASN A 58 -2.002 -17.081 -4.581 1.00 2.23 C ATOM 900 O ASN A 58 -2.547 -16.777 -5.651 1.00 32.31 O ATOM 901 CB ASN A 58 -3.991 -18.605 -4.022 1.00 0.32 C ATOM 902 CG ASN A 58 -4.536 -19.833 -3.286 1.00 45.43 C ATOM 903 OD1 ASN A 58 -3.818 -20.794 -3.020 1.00 14.14 O ATOM 904 ND2 ASN A 58 -5.814 -19.813 -2.955 1.00 62.21 N ATOM 0 H ASN A 58 -1.545 -18.940 -1.980 1.00 53.42 H new ATOM 0 HA ASN A 58 -1.904 -19.195 -4.145 1.00 2.33 H new ATOM 0 HB2 ASN A 58 -4.557 -17.727 -3.711 1.00 0.32 H new ATOM 0 HB3 ASN A 58 -4.161 -18.731 -5.091 1.00 0.32 H new ATOM 0 HD21 ASN A 58 -6.227 -20.608 -2.467 1.00 62.21 H new ATOM 0 HD22 ASN A 58 -6.388 -19.003 -3.187 1.00 62.21 H new ATOM 911 N GLY A 59 -0.947 -16.394 -4.082 1.00 21.03 N ATOM 912 CA GLY A 59 -0.432 -15.159 -4.708 1.00 14.44 C ATOM 913 C GLY A 59 -1.213 -13.887 -4.315 1.00 64.45 C ATOM 914 O GLY A 59 -0.792 -12.769 -4.634 1.00 71.22 O ATOM 0 H GLY A 59 -0.437 -16.678 -3.246 1.00 21.03 H new ATOM 0 HA2 GLY A 59 0.614 -15.032 -4.430 1.00 14.44 H new ATOM 0 HA3 GLY A 59 -0.463 -15.272 -5.792 1.00 14.44 H new ATOM 918 N LEU A 60 -2.348 -14.065 -3.608 1.00 45.32 N ATOM 919 CA LEU A 60 -3.265 -12.965 -3.223 1.00 70.02 C ATOM 920 C LEU A 60 -2.996 -12.488 -1.780 1.00 43.23 C ATOM 921 O LEU A 60 -2.401 -13.205 -0.979 1.00 52.00 O ATOM 922 CB LEU A 60 -4.732 -13.452 -3.356 1.00 2.40 C ATOM 923 CG LEU A 60 -5.141 -14.010 -4.755 1.00 22.44 C ATOM 924 CD1 LEU A 60 -6.596 -14.518 -4.744 1.00 22.35 C ATOM 925 CD2 LEU A 60 -4.899 -12.966 -5.873 1.00 25.40 C ATOM 0 H LEU A 60 -2.659 -14.981 -3.285 1.00 45.32 H new ATOM 0 HA LEU A 60 -3.092 -12.120 -3.890 1.00 70.02 H new ATOM 0 HB2 LEU A 60 -4.905 -14.229 -2.612 1.00 2.40 H new ATOM 0 HB3 LEU A 60 -5.394 -12.622 -3.110 1.00 2.40 H new ATOM 0 HG LEU A 60 -4.501 -14.864 -4.976 1.00 22.44 H new ATOM 0 HD11 LEU A 60 -6.855 -14.901 -5.731 1.00 22.35 H new ATOM 0 HD12 LEU A 60 -6.698 -15.315 -4.007 1.00 22.35 H new ATOM 0 HD13 LEU A 60 -7.266 -13.698 -4.486 1.00 22.35 H new ATOM 0 HD21 LEU A 60 -5.194 -13.387 -6.834 1.00 25.40 H new ATOM 0 HD22 LEU A 60 -5.490 -12.073 -5.671 1.00 25.40 H new ATOM 0 HD23 LEU A 60 -3.842 -12.702 -5.902 1.00 25.40 H new ATOM 937 N ILE A 61 -3.467 -11.271 -1.460 1.00 12.44 N ATOM 938 CA ILE A 61 -3.289 -10.639 -0.129 1.00 31.21 C ATOM 939 C ILE A 61 -4.649 -10.509 0.602 1.00 20.44 C ATOM 940 O ILE A 61 -5.607 -9.979 0.040 1.00 41.34 O ATOM 941 CB ILE A 61 -2.615 -9.215 -0.287 1.00 60.42 C ATOM 942 CG1 ILE A 61 -1.179 -9.368 -0.891 1.00 3.31 C ATOM 943 CG2 ILE A 61 -2.592 -8.429 1.053 1.00 14.42 C ATOM 944 CD1 ILE A 61 -0.440 -8.066 -1.163 1.00 33.35 C ATOM 0 H ILE A 61 -3.986 -10.689 -2.117 1.00 12.44 H new ATOM 0 HA ILE A 61 -2.637 -11.275 0.470 1.00 31.21 H new ATOM 0 HB ILE A 61 -3.221 -8.627 -0.977 1.00 60.42 H new ATOM 0 HG12 ILE A 61 -0.579 -9.970 -0.209 1.00 3.31 H new ATOM 0 HG13 ILE A 61 -1.254 -9.925 -1.825 1.00 3.31 H new ATOM 0 HG21 ILE A 61 -2.121 -7.458 0.897 1.00 14.42 H new ATOM 0 HG22 ILE A 61 -3.613 -8.284 1.408 1.00 14.42 H new ATOM 0 HG23 ILE A 61 -2.026 -8.992 1.795 1.00 14.42 H new ATOM 0 HD11 ILE A 61 0.543 -8.286 -1.580 1.00 33.35 H new ATOM 0 HD12 ILE A 61 -1.009 -7.466 -1.873 1.00 33.35 H new ATOM 0 HD13 ILE A 61 -0.324 -7.512 -0.231 1.00 33.35 H new ATOM 956 N GLU A 62 -4.712 -11.002 1.858 1.00 5.32 N ATOM 957 CA GLU A 62 -5.849 -10.773 2.783 1.00 62.15 C ATOM 958 C GLU A 62 -5.386 -9.889 3.962 1.00 35.13 C ATOM 959 O GLU A 62 -4.265 -10.032 4.470 1.00 53.31 O ATOM 960 CB GLU A 62 -6.445 -12.098 3.341 1.00 51.12 C ATOM 961 CG GLU A 62 -7.207 -12.972 2.321 1.00 33.43 C ATOM 962 CD GLU A 62 -8.079 -14.049 3.006 1.00 51.54 C ATOM 963 OE1 GLU A 62 -7.551 -15.093 3.421 1.00 44.12 O ATOM 964 OE2 GLU A 62 -9.295 -13.834 3.162 1.00 15.45 O ATOM 0 H GLU A 62 -3.971 -11.574 2.264 1.00 5.32 H new ATOM 0 HA GLU A 62 -6.633 -10.276 2.211 1.00 62.15 H new ATOM 0 HB2 GLU A 62 -5.633 -12.690 3.764 1.00 51.12 H new ATOM 0 HB3 GLU A 62 -7.122 -11.854 4.160 1.00 51.12 H new ATOM 0 HG2 GLU A 62 -7.839 -12.336 1.702 1.00 33.43 H new ATOM 0 HG3 GLU A 62 -6.492 -13.456 1.655 1.00 33.43 H new ATOM 971 N ILE A 63 -6.266 -8.972 4.380 1.00 22.45 N ATOM 972 CA ILE A 63 -6.012 -8.029 5.480 1.00 75.43 C ATOM 973 C ILE A 63 -6.781 -8.509 6.733 1.00 35.11 C ATOM 974 O ILE A 63 -7.952 -8.916 6.652 1.00 3.23 O ATOM 975 CB ILE A 63 -6.422 -6.538 5.099 1.00 71.11 C ATOM 976 CG1 ILE A 63 -5.562 -5.964 3.908 1.00 21.10 C ATOM 977 CG2 ILE A 63 -6.311 -5.587 6.324 1.00 50.42 C ATOM 978 CD1 ILE A 63 -5.807 -6.563 2.537 1.00 73.12 C ATOM 0 H ILE A 63 -7.188 -8.861 3.959 1.00 22.45 H new ATOM 0 HA ILE A 63 -4.941 -8.011 5.684 1.00 75.43 H new ATOM 0 HB ILE A 63 -7.462 -6.585 4.775 1.00 71.11 H new ATOM 0 HG12 ILE A 63 -5.741 -4.891 3.847 1.00 21.10 H new ATOM 0 HG13 ILE A 63 -4.509 -6.098 4.154 1.00 21.10 H new ATOM 0 HG21 ILE A 63 -6.598 -4.578 6.028 1.00 50.42 H new ATOM 0 HG22 ILE A 63 -6.974 -5.935 7.116 1.00 50.42 H new ATOM 0 HG23 ILE A 63 -5.283 -5.580 6.687 1.00 50.42 H new ATOM 0 HD11 ILE A 63 -5.154 -6.083 1.808 1.00 73.12 H new ATOM 0 HD12 ILE A 63 -5.596 -7.632 2.564 1.00 73.12 H new ATOM 0 HD13 ILE A 63 -6.847 -6.406 2.252 1.00 73.12 H new ATOM 990 N TYR A 64 -6.077 -8.504 7.873 1.00 31.25 N ATOM 991 CA TYR A 64 -6.615 -8.876 9.205 1.00 23.24 C ATOM 992 C TYR A 64 -6.267 -7.782 10.234 1.00 51.24 C ATOM 993 O TYR A 64 -5.502 -6.874 9.933 1.00 41.54 O ATOM 994 CB TYR A 64 -6.038 -10.251 9.645 1.00 4.44 C ATOM 995 CG TYR A 64 -6.568 -11.436 8.823 1.00 12.13 C ATOM 996 CD1 TYR A 64 -7.751 -12.087 9.175 1.00 53.41 C ATOM 997 CD2 TYR A 64 -5.900 -11.881 7.681 1.00 55.21 C ATOM 998 CE1 TYR A 64 -8.238 -13.140 8.426 1.00 14.45 C ATOM 999 CE2 TYR A 64 -6.391 -12.927 6.927 1.00 42.34 C ATOM 1000 CZ TYR A 64 -7.558 -13.553 7.302 1.00 45.25 C ATOM 1001 OH TYR A 64 -8.057 -14.586 6.540 1.00 34.55 O ATOM 0 H TYR A 64 -5.093 -8.236 7.904 1.00 31.25 H new ATOM 0 HA TYR A 64 -7.700 -8.962 9.145 1.00 23.24 H new ATOM 0 HB2 TYR A 64 -4.951 -10.222 9.564 1.00 4.44 H new ATOM 0 HB3 TYR A 64 -6.275 -10.415 10.696 1.00 4.44 H new ATOM 0 HD1 TYR A 64 -8.296 -11.761 10.049 1.00 53.41 H new ATOM 0 HD2 TYR A 64 -4.982 -11.398 7.382 1.00 55.21 H new ATOM 0 HE1 TYR A 64 -9.150 -13.638 8.721 1.00 14.45 H new ATOM 0 HE2 TYR A 64 -5.861 -13.254 6.045 1.00 42.34 H new ATOM 0 HH TYR A 64 -7.691 -14.529 5.633 1.00 34.55 H new ATOM 1011 N ASN A 65 -6.867 -7.859 11.430 1.00 5.10 N ATOM 1012 CA ASN A 65 -6.571 -6.927 12.549 1.00 11.50 C ATOM 1013 C ASN A 65 -5.350 -7.433 13.363 1.00 22.35 C ATOM 1014 O ASN A 65 -5.238 -8.630 13.648 1.00 31.33 O ATOM 1015 CB ASN A 65 -7.835 -6.788 13.450 1.00 11.42 C ATOM 1016 CG ASN A 65 -7.793 -5.618 14.453 1.00 31.42 C ATOM 1017 OD1 ASN A 65 -6.739 -5.184 14.905 1.00 65.22 O ATOM 1018 ND2 ASN A 65 -8.955 -5.098 14.813 1.00 4.30 N ATOM 0 H ASN A 65 -7.570 -8.563 11.658 1.00 5.10 H new ATOM 0 HA ASN A 65 -6.317 -5.944 12.151 1.00 11.50 H new ATOM 0 HB2 ASN A 65 -8.708 -6.667 12.809 1.00 11.42 H new ATOM 0 HB3 ASN A 65 -7.972 -7.717 14.003 1.00 11.42 H new ATOM 0 HD21 ASN A 65 -8.984 -4.324 15.476 1.00 4.30 H new ATOM 0 HD22 ASN A 65 -9.822 -5.471 14.427 1.00 4.30 H new ATOM 1025 N GLU A 66 -4.447 -6.508 13.754 1.00 34.23 N ATOM 1026 CA GLU A 66 -3.230 -6.837 14.547 1.00 52.54 C ATOM 1027 C GLU A 66 -3.546 -7.000 16.072 1.00 64.41 C ATOM 1028 O GLU A 66 -2.637 -7.131 16.914 1.00 72.04 O ATOM 1029 CB GLU A 66 -2.141 -5.761 14.301 1.00 20.23 C ATOM 1030 CG GLU A 66 -0.714 -6.140 14.784 1.00 13.42 C ATOM 1031 CD GLU A 66 0.379 -5.164 14.316 1.00 5.01 C ATOM 1032 OE1 GLU A 66 0.353 -4.762 13.138 1.00 23.11 O ATOM 1033 OE2 GLU A 66 1.292 -4.825 15.112 1.00 44.23 O ATOM 0 H GLU A 66 -4.535 -5.516 13.533 1.00 34.23 H new ATOM 0 HA GLU A 66 -2.853 -7.803 14.210 1.00 52.54 H new ATOM 0 HB2 GLU A 66 -2.100 -5.546 13.233 1.00 20.23 H new ATOM 0 HB3 GLU A 66 -2.443 -4.840 14.800 1.00 20.23 H new ATOM 0 HG2 GLU A 66 -0.708 -6.182 15.873 1.00 13.42 H new ATOM 0 HG3 GLU A 66 -0.473 -7.141 14.425 1.00 13.42 H new ATOM 1327 N LYS B 3 5.288 -9.787 9.140 1.00 42.21 N ATOM 1328 CA LYS B 3 5.096 -8.356 8.804 1.00 63.11 C ATOM 1329 C LYS B 3 6.463 -7.685 8.442 1.00 12.11 C ATOM 1330 O LYS B 3 6.512 -6.573 7.918 1.00 3.01 O ATOM 1331 CB LYS B 3 4.407 -7.654 10.010 1.00 4.23 C ATOM 1332 CG LYS B 3 4.045 -6.167 9.810 1.00 43.42 C ATOM 1333 CD LYS B 3 3.369 -5.545 11.054 1.00 53.53 C ATOM 1334 CE LYS B 3 3.148 -4.038 10.891 1.00 33.11 C ATOM 1335 NZ LYS B 3 2.546 -3.422 12.090 1.00 14.54 N ATOM 0 HA LYS B 3 4.458 -8.258 7.926 1.00 63.11 H new ATOM 0 HB2 LYS B 3 3.495 -8.200 10.250 1.00 4.23 H new ATOM 0 HB3 LYS B 3 5.064 -7.734 10.876 1.00 4.23 H new ATOM 0 HG2 LYS B 3 4.949 -5.606 9.574 1.00 43.42 H new ATOM 0 HG3 LYS B 3 3.378 -6.072 8.953 1.00 43.42 H new ATOM 0 HD2 LYS B 3 2.412 -6.035 11.230 1.00 53.53 H new ATOM 0 HD3 LYS B 3 3.987 -5.728 11.933 1.00 53.53 H new ATOM 0 HE2 LYS B 3 4.102 -3.555 10.678 1.00 33.11 H new ATOM 0 HE3 LYS B 3 2.502 -3.860 10.032 1.00 33.11 H new ATOM 0 HZ1 LYS B 3 2.038 -2.557 11.818 1.00 14.54 H new ATOM 0 HZ2 LYS B 3 1.881 -4.091 12.527 1.00 14.54 H new ATOM 0 HZ3 LYS B 3 3.295 -3.183 12.771 1.00 14.54 H new ATOM 1349 N LYS B 4 7.573 -8.394 8.738 1.00 31.11 N ATOM 1350 CA LYS B 4 8.945 -7.995 8.339 1.00 75.24 C ATOM 1351 C LYS B 4 9.154 -8.091 6.799 1.00 22.40 C ATOM 1352 O LYS B 4 9.980 -7.364 6.235 1.00 62.30 O ATOM 1353 CB LYS B 4 9.974 -8.894 9.083 1.00 41.33 C ATOM 1354 CG LYS B 4 11.461 -8.561 8.817 1.00 30.43 C ATOM 1355 CD LYS B 4 11.858 -7.122 9.238 1.00 63.33 C ATOM 1356 CE LYS B 4 13.350 -6.828 8.992 1.00 11.01 C ATOM 1357 NZ LYS B 4 14.237 -7.709 9.796 1.00 25.42 N ATOM 0 H LYS B 4 7.545 -9.267 9.265 1.00 31.11 H new ATOM 0 HA LYS B 4 9.093 -6.952 8.617 1.00 75.24 H new ATOM 0 HB2 LYS B 4 9.789 -8.819 10.154 1.00 41.33 H new ATOM 0 HB3 LYS B 4 9.795 -9.932 8.801 1.00 41.33 H new ATOM 0 HG2 LYS B 4 12.086 -9.274 9.354 1.00 30.43 H new ATOM 0 HG3 LYS B 4 11.670 -8.691 7.755 1.00 30.43 H new ATOM 0 HD2 LYS B 4 11.253 -6.404 8.684 1.00 63.33 H new ATOM 0 HD3 LYS B 4 11.632 -6.980 10.295 1.00 63.33 H new ATOM 0 HE2 LYS B 4 13.574 -6.959 7.933 1.00 11.01 H new ATOM 0 HE3 LYS B 4 13.558 -5.786 9.236 1.00 11.01 H new ATOM 0 HZ1 LYS B 4 15.220 -7.378 9.717 1.00 25.42 H new ATOM 0 HZ2 LYS B 4 13.942 -7.682 10.793 1.00 25.42 H new ATOM 0 HZ3 LYS B 4 14.171 -8.685 9.442 1.00 25.42 H new ATOM 1371 N ILE B 5 8.387 -8.987 6.137 1.00 21.23 N ATOM 1372 CA ILE B 5 8.484 -9.228 4.673 1.00 62.15 C ATOM 1373 C ILE B 5 8.207 -7.938 3.860 1.00 71.51 C ATOM 1374 O ILE B 5 8.954 -7.626 2.932 1.00 2.44 O ATOM 1375 CB ILE B 5 7.516 -10.395 4.231 1.00 63.00 C ATOM 1376 CG1 ILE B 5 7.919 -11.717 4.960 1.00 72.34 C ATOM 1377 CG2 ILE B 5 7.494 -10.596 2.691 1.00 12.12 C ATOM 1378 CD1 ILE B 5 6.983 -12.893 4.740 1.00 2.14 C ATOM 0 H ILE B 5 7.684 -9.564 6.599 1.00 21.23 H new ATOM 0 HA ILE B 5 9.508 -9.533 4.458 1.00 62.15 H new ATOM 0 HB ILE B 5 6.503 -10.115 4.521 1.00 63.00 H new ATOM 0 HG12 ILE B 5 8.918 -12.003 4.632 1.00 72.34 H new ATOM 0 HG13 ILE B 5 7.980 -11.518 6.030 1.00 72.34 H new ATOM 0 HG21 ILE B 5 6.814 -11.410 2.440 1.00 12.12 H new ATOM 0 HG22 ILE B 5 7.156 -9.679 2.209 1.00 12.12 H new ATOM 0 HG23 ILE B 5 8.497 -10.841 2.342 1.00 12.12 H new ATOM 0 HD11 ILE B 5 7.352 -13.760 5.288 1.00 2.14 H new ATOM 0 HD12 ILE B 5 5.986 -12.636 5.097 1.00 2.14 H new ATOM 0 HD13 ILE B 5 6.938 -13.129 3.677 1.00 2.14 H new ATOM 1390 N VAL B 6 7.170 -7.157 4.253 1.00 2.22 N ATOM 1391 CA VAL B 6 6.862 -5.863 3.581 1.00 45.52 C ATOM 1392 C VAL B 6 8.001 -4.831 3.795 1.00 14.03 C ATOM 1393 O VAL B 6 8.219 -3.973 2.946 1.00 20.12 O ATOM 1394 CB VAL B 6 5.483 -5.240 4.034 1.00 23.13 C ATOM 1395 CG1 VAL B 6 4.313 -6.212 3.765 1.00 64.42 C ATOM 1396 CG2 VAL B 6 5.506 -4.793 5.518 1.00 53.41 C ATOM 0 H VAL B 6 6.540 -7.393 5.020 1.00 2.22 H new ATOM 0 HA VAL B 6 6.780 -6.095 2.519 1.00 45.52 H new ATOM 0 HB VAL B 6 5.324 -4.346 3.431 1.00 23.13 H new ATOM 0 HG11 VAL B 6 3.378 -5.754 4.088 1.00 64.42 H new ATOM 0 HG12 VAL B 6 4.260 -6.432 2.699 1.00 64.42 H new ATOM 0 HG13 VAL B 6 4.474 -7.137 4.319 1.00 64.42 H new ATOM 0 HG21 VAL B 6 4.537 -4.371 5.786 1.00 53.41 H new ATOM 0 HG22 VAL B 6 5.715 -5.653 6.154 1.00 53.41 H new ATOM 0 HG23 VAL B 6 6.281 -4.040 5.659 1.00 53.41 H new ATOM 1406 N GLY B 7 8.719 -4.953 4.936 1.00 22.44 N ATOM 1407 CA GLY B 7 9.895 -4.120 5.237 1.00 43.13 C ATOM 1408 C GLY B 7 11.091 -4.393 4.325 1.00 72.43 C ATOM 1409 O GLY B 7 11.721 -3.460 3.805 1.00 4.02 O ATOM 0 H GLY B 7 8.497 -5.629 5.667 1.00 22.44 H new ATOM 0 HA2 GLY B 7 9.617 -3.070 5.152 1.00 43.13 H new ATOM 0 HA3 GLY B 7 10.193 -4.288 6.272 1.00 43.13 H new ATOM 1413 N ALA B 8 11.388 -5.690 4.136 1.00 20.04 N ATOM 1414 CA ALA B 8 12.451 -6.162 3.225 1.00 61.10 C ATOM 1415 C ALA B 8 12.156 -5.749 1.758 1.00 43.31 C ATOM 1416 O ALA B 8 13.043 -5.295 1.027 1.00 23.40 O ATOM 1417 CB ALA B 8 12.579 -7.688 3.346 1.00 63.54 C ATOM 0 H ALA B 8 10.896 -6.446 4.612 1.00 20.04 H new ATOM 0 HA ALA B 8 13.394 -5.696 3.510 1.00 61.10 H new ATOM 0 HB1 ALA B 8 13.362 -8.042 2.676 1.00 63.54 H new ATOM 0 HB2 ALA B 8 12.834 -7.952 4.373 1.00 63.54 H new ATOM 0 HB3 ALA B 8 11.632 -8.155 3.076 1.00 63.54 H new ATOM 1423 N ASN B 9 10.883 -5.898 1.366 1.00 50.12 N ATOM 1424 CA ASN B 9 10.384 -5.528 0.026 1.00 42.14 C ATOM 1425 C ASN B 9 10.345 -3.993 -0.182 1.00 44.22 C ATOM 1426 O ASN B 9 10.560 -3.519 -1.294 1.00 24.55 O ATOM 1427 CB ASN B 9 8.981 -6.146 -0.179 1.00 3.55 C ATOM 1428 CG ASN B 9 9.013 -7.679 -0.213 1.00 64.05 C ATOM 1429 OD1 ASN B 9 9.955 -8.290 -0.701 1.00 10.44 O ATOM 1430 ND2 ASN B 9 7.983 -8.310 0.312 1.00 42.22 N ATOM 0 H ASN B 9 10.160 -6.283 1.974 1.00 50.12 H new ATOM 0 HA ASN B 9 11.075 -5.924 -0.718 1.00 42.14 H new ATOM 0 HB2 ASN B 9 8.322 -5.817 0.625 1.00 3.55 H new ATOM 0 HB3 ASN B 9 8.557 -5.774 -1.111 1.00 3.55 H new ATOM 0 HD21 ASN B 9 7.959 -9.330 0.318 1.00 42.22 H new ATOM 0 HD22 ASN B 9 7.210 -7.779 0.713 1.00 42.22 H new ATOM 1437 N ALA B 10 10.125 -3.230 0.910 1.00 73.52 N ATOM 1438 CA ALA B 10 10.011 -1.750 0.855 1.00 31.23 C ATOM 1439 C ALA B 10 11.384 -1.089 0.617 1.00 12.04 C ATOM 1440 O ALA B 10 11.488 -0.099 -0.111 1.00 34.14 O ATOM 1441 CB ALA B 10 9.378 -1.218 2.149 1.00 4.03 C ATOM 0 H ALA B 10 10.022 -3.615 1.849 1.00 73.52 H new ATOM 0 HA ALA B 10 9.367 -1.493 0.014 1.00 31.23 H new ATOM 0 HB1 ALA B 10 9.300 -0.132 2.096 1.00 4.03 H new ATOM 0 HB2 ALA B 10 8.384 -1.648 2.271 1.00 4.03 H new ATOM 0 HB3 ALA B 10 10.000 -1.496 3.000 1.00 4.03 H new ATOM 1447 N GLY B 11 12.433 -1.665 1.238 1.00 42.41 N ATOM 1448 CA GLY B 11 13.817 -1.217 1.020 1.00 45.13 C ATOM 1449 C GLY B 11 14.281 -1.401 -0.431 1.00 30.52 C ATOM 1450 O GLY B 11 15.029 -0.578 -0.973 1.00 63.51 O ATOM 0 H GLY B 11 12.345 -2.441 1.894 1.00 42.41 H new ATOM 0 HA2 GLY B 11 13.900 -0.165 1.292 1.00 45.13 H new ATOM 0 HA3 GLY B 11 14.482 -1.772 1.682 1.00 45.13 H new ATOM 1454 N LYS B 12 13.816 -2.501 -1.043 1.00 70.30 N ATOM 1455 CA LYS B 12 14.087 -2.847 -2.455 1.00 65.23 C ATOM 1456 C LYS B 12 13.340 -1.880 -3.425 1.00 24.32 C ATOM 1457 O LYS B 12 13.912 -1.415 -4.420 1.00 5.51 O ATOM 1458 CB LYS B 12 13.648 -4.318 -2.691 1.00 33.21 C ATOM 1459 CG LYS B 12 14.043 -4.929 -4.052 1.00 61.05 C ATOM 1460 CD LYS B 12 13.508 -6.375 -4.208 1.00 75.41 C ATOM 1461 CE LYS B 12 13.995 -7.068 -5.491 1.00 54.12 C ATOM 1462 NZ LYS B 12 15.457 -7.323 -5.479 1.00 32.13 N ATOM 0 H LYS B 12 13.232 -3.188 -0.567 1.00 70.30 H new ATOM 0 HA LYS B 12 15.153 -2.742 -2.659 1.00 65.23 H new ATOM 0 HB2 LYS B 12 14.074 -4.935 -1.900 1.00 33.21 H new ATOM 0 HB3 LYS B 12 12.564 -4.374 -2.590 1.00 33.21 H new ATOM 0 HG2 LYS B 12 13.652 -4.307 -4.857 1.00 61.05 H new ATOM 0 HG3 LYS B 12 15.129 -4.930 -4.149 1.00 61.05 H new ATOM 0 HD2 LYS B 12 13.817 -6.965 -3.345 1.00 75.41 H new ATOM 0 HD3 LYS B 12 12.418 -6.354 -4.206 1.00 75.41 H new ATOM 0 HE2 LYS B 12 13.466 -8.013 -5.613 1.00 54.12 H new ATOM 0 HE3 LYS B 12 13.744 -6.449 -6.352 1.00 54.12 H new ATOM 0 HZ1 LYS B 12 15.722 -7.866 -6.326 1.00 32.13 H new ATOM 0 HZ2 LYS B 12 15.967 -6.417 -5.475 1.00 32.13 H new ATOM 0 HZ3 LYS B 12 15.708 -7.865 -4.628 1.00 32.13 H new ATOM 1476 N VAL B 13 12.056 -1.589 -3.101 1.00 55.11 N ATOM 1477 CA VAL B 13 11.198 -0.625 -3.851 1.00 14.31 C ATOM 1478 C VAL B 13 11.802 0.806 -3.847 1.00 61.35 C ATOM 1479 O VAL B 13 11.887 1.466 -4.894 1.00 4.54 O ATOM 1480 CB VAL B 13 9.726 -0.620 -3.258 1.00 70.43 C ATOM 1481 CG1 VAL B 13 8.874 0.569 -3.777 1.00 30.41 C ATOM 1482 CG2 VAL B 13 9.014 -1.968 -3.553 1.00 13.14 C ATOM 0 H VAL B 13 11.579 -2.017 -2.307 1.00 55.11 H new ATOM 0 HA VAL B 13 11.155 -0.954 -4.889 1.00 14.31 H new ATOM 0 HB VAL B 13 9.822 -0.494 -2.180 1.00 70.43 H new ATOM 0 HG11 VAL B 13 7.877 0.521 -3.338 1.00 30.41 H new ATOM 0 HG12 VAL B 13 9.350 1.508 -3.495 1.00 30.41 H new ATOM 0 HG13 VAL B 13 8.796 0.514 -4.863 1.00 30.41 H new ATOM 0 HG21 VAL B 13 8.006 -1.945 -3.139 1.00 13.14 H new ATOM 0 HG22 VAL B 13 8.960 -2.123 -4.631 1.00 13.14 H new ATOM 0 HG23 VAL B 13 9.575 -2.783 -3.097 1.00 13.14 H new ATOM 1492 N TRP B 14 12.238 1.255 -2.657 1.00 23.25 N ATOM 1493 CA TRP B 14 12.856 2.588 -2.474 1.00 11.21 C ATOM 1494 C TRP B 14 14.228 2.698 -3.192 1.00 33.21 C ATOM 1495 O TRP B 14 14.608 3.775 -3.670 1.00 13.21 O ATOM 1496 CB TRP B 14 13.003 2.932 -0.969 1.00 44.22 C ATOM 1497 CG TRP B 14 13.450 4.357 -0.731 1.00 14.03 C ATOM 1498 CD1 TRP B 14 12.678 5.480 -0.772 1.00 21.23 C ATOM 1499 CD2 TRP B 14 14.781 4.798 -0.463 1.00 22.21 C ATOM 1500 NE1 TRP B 14 13.453 6.586 -0.548 1.00 52.35 N ATOM 1501 CE2 TRP B 14 14.748 6.193 -0.349 1.00 24.33 C ATOM 1502 CE3 TRP B 14 15.986 4.133 -0.311 1.00 30.12 C ATOM 1503 CZ2 TRP B 14 15.889 6.945 -0.085 1.00 53.04 C ATOM 1504 CZ3 TRP B 14 17.127 4.867 -0.047 1.00 53.45 C ATOM 1505 CH2 TRP B 14 17.071 6.266 0.065 1.00 21.33 C ATOM 0 H TRP B 14 12.174 0.710 -1.797 1.00 23.25 H new ATOM 0 HA TRP B 14 12.185 3.314 -2.933 1.00 11.21 H new ATOM 0 HB2 TRP B 14 12.048 2.768 -0.469 1.00 44.22 H new ATOM 0 HB3 TRP B 14 13.722 2.250 -0.514 1.00 44.22 H new ATOM 0 HD1 TRP B 14 11.614 5.495 -0.954 1.00 21.23 H new ATOM 0 HE1 TRP B 14 13.118 7.549 -0.532 1.00 52.35 H new ATOM 0 HE3 TRP B 14 16.034 3.058 -0.397 1.00 30.12 H new ATOM 0 HZ2 TRP B 14 15.845 8.021 -0.002 1.00 53.04 H new ATOM 0 HZ3 TRP B 14 18.072 4.359 0.075 1.00 53.45 H new ATOM 0 HH2 TRP B 14 17.976 6.817 0.273 1.00 21.33 H new ATOM 1516 N HIS B 15 14.974 1.583 -3.243 1.00 63.15 N ATOM 1517 CA HIS B 15 16.259 1.509 -3.979 1.00 31.22 C ATOM 1518 C HIS B 15 16.029 1.704 -5.505 1.00 23.00 C ATOM 1519 O HIS B 15 16.857 2.304 -6.199 1.00 41.43 O ATOM 1520 CB HIS B 15 16.956 0.156 -3.691 1.00 32.45 C ATOM 1521 CG HIS B 15 18.364 0.066 -4.220 1.00 3.33 C ATOM 1522 ND1 HIS B 15 18.665 -0.403 -5.479 1.00 53.31 N ATOM 1523 CD2 HIS B 15 19.554 0.398 -3.655 1.00 11.41 C ATOM 1524 CE1 HIS B 15 19.967 -0.355 -5.668 1.00 11.44 C ATOM 1525 NE2 HIS B 15 20.532 0.124 -4.580 1.00 24.34 N ATOM 0 H HIS B 15 14.712 0.712 -2.782 1.00 63.15 H new ATOM 0 HA HIS B 15 16.909 2.313 -3.635 1.00 31.22 H new ATOM 0 HB2 HIS B 15 16.972 -0.010 -2.614 1.00 32.45 H new ATOM 0 HB3 HIS B 15 16.363 -0.647 -4.129 1.00 32.45 H new ATOM 0 HD2 HIS B 15 19.703 0.802 -2.664 1.00 11.41 H new ATOM 0 HE1 HIS B 15 20.485 -0.658 -6.566 1.00 11.44 H new ATOM 0 HE2 HIS B 15 21.533 0.268 -4.446 1.00 24.34 H new ATOM 1534 N ALA B 16 14.885 1.189 -6.003 1.00 71.45 N ATOM 1535 CA ALA B 16 14.441 1.376 -7.408 1.00 64.13 C ATOM 1536 C ALA B 16 13.954 2.830 -7.701 1.00 51.42 C ATOM 1537 O ALA B 16 13.931 3.254 -8.860 1.00 61.52 O ATOM 1538 CB ALA B 16 13.353 0.355 -7.755 1.00 13.01 C ATOM 0 H ALA B 16 14.240 0.630 -5.444 1.00 71.45 H new ATOM 0 HA ALA B 16 15.309 1.209 -8.046 1.00 64.13 H new ATOM 0 HB1 ALA B 16 13.034 0.500 -8.787 1.00 13.01 H new ATOM 0 HB2 ALA B 16 13.749 -0.653 -7.636 1.00 13.01 H new ATOM 0 HB3 ALA B 16 12.501 0.491 -7.089 1.00 13.01 H new ATOM 1544 N LEU B 17 13.522 3.557 -6.649 1.00 52.03 N ATOM 1545 CA LEU B 17 13.235 5.019 -6.719 1.00 62.33 C ATOM 1546 C LEU B 17 14.543 5.825 -6.875 1.00 0.33 C ATOM 1547 O LEU B 17 14.642 6.720 -7.721 1.00 64.03 O ATOM 1548 CB LEU B 17 12.486 5.471 -5.440 1.00 2.33 C ATOM 1549 CG LEU B 17 11.035 4.933 -5.277 1.00 33.13 C ATOM 1550 CD1 LEU B 17 10.503 5.200 -3.853 1.00 11.41 C ATOM 1551 CD2 LEU B 17 10.115 5.547 -6.355 1.00 5.04 C ATOM 0 H LEU B 17 13.360 3.155 -5.726 1.00 52.03 H new ATOM 0 HA LEU B 17 12.607 5.207 -7.590 1.00 62.33 H new ATOM 0 HB2 LEU B 17 13.068 5.160 -4.572 1.00 2.33 H new ATOM 0 HB3 LEU B 17 12.453 6.560 -5.428 1.00 2.33 H new ATOM 0 HG LEU B 17 11.044 3.852 -5.418 1.00 33.13 H new ATOM 0 HD11 LEU B 17 9.487 4.814 -3.766 1.00 11.41 H new ATOM 0 HD12 LEU B 17 11.144 4.702 -3.126 1.00 11.41 H new ATOM 0 HD13 LEU B 17 10.501 6.273 -3.660 1.00 11.41 H new ATOM 0 HD21 LEU B 17 9.102 5.163 -6.231 1.00 5.04 H new ATOM 0 HD22 LEU B 17 10.107 6.632 -6.251 1.00 5.04 H new ATOM 0 HD23 LEU B 17 10.485 5.280 -7.345 1.00 5.04 H new ATOM 1563 N ASN B 18 15.547 5.484 -6.039 1.00 51.04 N ATOM 1564 CA ASN B 18 16.916 6.052 -6.126 1.00 12.31 C ATOM 1565 C ASN B 18 17.567 5.749 -7.506 1.00 40.42 C ATOM 1566 O ASN B 18 18.401 6.516 -7.993 1.00 63.43 O ATOM 1567 CB ASN B 18 17.791 5.493 -4.968 1.00 24.43 C ATOM 1568 CG ASN B 18 19.203 6.097 -4.874 1.00 31.00 C ATOM 1569 OD1 ASN B 18 20.154 5.417 -4.505 1.00 34.13 O ATOM 1570 ND2 ASN B 18 19.353 7.379 -5.174 1.00 55.54 N ATOM 0 H ASN B 18 15.435 4.808 -5.284 1.00 51.04 H new ATOM 0 HA ASN B 18 16.848 7.136 -6.029 1.00 12.31 H new ATOM 0 HB2 ASN B 18 17.274 5.667 -4.024 1.00 24.43 H new ATOM 0 HB3 ASN B 18 17.881 4.413 -5.088 1.00 24.43 H new ATOM 0 HD21 ASN B 18 20.272 7.816 -5.100 1.00 55.54 H new ATOM 0 HD22 ASN B 18 18.550 7.929 -5.479 1.00 55.54 H new ATOM 1577 N GLU B 19 17.147 4.625 -8.121 1.00 33.22 N ATOM 1578 CA GLU B 19 17.561 4.222 -9.481 1.00 4.24 C ATOM 1579 C GLU B 19 16.887 5.135 -10.546 1.00 11.23 C ATOM 1580 O GLU B 19 17.569 5.697 -11.412 1.00 53.25 O ATOM 1581 CB GLU B 19 17.206 2.712 -9.677 1.00 51.45 C ATOM 1582 CG GLU B 19 17.609 2.053 -11.023 1.00 55.31 C ATOM 1583 CD GLU B 19 16.636 2.327 -12.192 1.00 11.14 C ATOM 1584 OE1 GLU B 19 15.421 2.055 -12.038 1.00 51.33 O ATOM 1585 OE2 GLU B 19 17.082 2.790 -13.266 1.00 24.21 O ATOM 0 H GLU B 19 16.504 3.965 -7.683 1.00 33.22 H new ATOM 0 HA GLU B 19 18.637 4.344 -9.608 1.00 4.24 H new ATOM 0 HB2 GLU B 19 17.676 2.148 -8.872 1.00 51.45 H new ATOM 0 HB3 GLU B 19 16.128 2.601 -9.557 1.00 51.45 H new ATOM 0 HG2 GLU B 19 18.601 2.407 -11.303 1.00 55.31 H new ATOM 0 HG3 GLU B 19 17.685 0.976 -10.876 1.00 55.31 H new ATOM 1592 N ALA B 20 15.543 5.277 -10.456 1.00 73.45 N ATOM 1593 CA ALA B 20 14.750 6.109 -11.399 1.00 41.24 C ATOM 1594 C ALA B 20 13.351 6.473 -10.825 1.00 30.44 C ATOM 1595 O ALA B 20 12.533 5.584 -10.541 1.00 3.13 O ATOM 1596 CB ALA B 20 14.601 5.395 -12.758 1.00 31.10 C ATOM 0 H ALA B 20 14.980 4.824 -9.736 1.00 73.45 H new ATOM 0 HA ALA B 20 15.297 7.041 -11.543 1.00 41.24 H new ATOM 0 HB1 ALA B 20 14.018 6.019 -13.435 1.00 31.10 H new ATOM 0 HB2 ALA B 20 15.588 5.219 -13.186 1.00 31.10 H new ATOM 0 HB3 ALA B 20 14.092 4.442 -12.614 1.00 31.10 H new ATOM 1602 N ASP B 21 13.105 7.789 -10.651 1.00 55.42 N ATOM 1603 CA ASP B 21 11.785 8.350 -10.260 1.00 43.41 C ATOM 1604 C ASP B 21 10.841 8.516 -11.476 1.00 60.14 C ATOM 1605 O ASP B 21 11.189 8.153 -12.612 1.00 41.24 O ATOM 1606 CB ASP B 21 11.976 9.718 -9.572 1.00 54.11 C ATOM 1607 CG ASP B 21 12.966 9.657 -8.412 1.00 41.41 C ATOM 1608 OD1 ASP B 21 12.559 9.310 -7.291 1.00 23.32 O ATOM 1609 OD2 ASP B 21 14.156 9.972 -8.623 1.00 1.32 O ATOM 0 H ASP B 21 13.822 8.503 -10.778 1.00 55.42 H new ATOM 0 HA ASP B 21 11.324 7.644 -9.569 1.00 43.41 H new ATOM 0 HB2 ASP B 21 12.326 10.444 -10.306 1.00 54.11 H new ATOM 0 HB3 ASP B 21 11.013 10.074 -9.205 1.00 54.11 H new ATOM 1614 N GLY B 22 9.633 9.059 -11.213 1.00 21.00 N ATOM 1615 CA GLY B 22 8.618 9.266 -12.257 1.00 64.32 C ATOM 1616 C GLY B 22 7.993 7.957 -12.721 1.00 11.35 C ATOM 1617 O GLY B 22 7.509 7.842 -13.853 1.00 71.53 O ATOM 0 H GLY B 22 9.341 9.361 -10.284 1.00 21.00 H new ATOM 0 HA2 GLY B 22 7.837 9.924 -11.876 1.00 64.32 H new ATOM 0 HA3 GLY B 22 9.073 9.771 -13.109 1.00 64.32 H new ATOM 1621 N ILE B 23 8.014 6.970 -11.815 1.00 1.14 N ATOM 1622 CA ILE B 23 7.589 5.595 -12.090 1.00 3.41 C ATOM 1623 C ILE B 23 6.226 5.323 -11.407 1.00 33.11 C ATOM 1624 O ILE B 23 5.923 5.897 -10.352 1.00 63.33 O ATOM 1625 CB ILE B 23 8.713 4.583 -11.599 1.00 40.03 C ATOM 1626 CG1 ILE B 23 8.508 3.145 -12.188 1.00 73.13 C ATOM 1627 CG2 ILE B 23 8.845 4.557 -10.049 1.00 35.33 C ATOM 1628 CD1 ILE B 23 8.670 3.050 -13.701 1.00 23.31 C ATOM 0 H ILE B 23 8.332 7.109 -10.856 1.00 1.14 H new ATOM 0 HA ILE B 23 7.455 5.450 -13.162 1.00 3.41 H new ATOM 0 HB ILE B 23 9.659 4.957 -11.991 1.00 40.03 H new ATOM 0 HG12 ILE B 23 9.221 2.468 -11.716 1.00 73.13 H new ATOM 0 HG13 ILE B 23 7.511 2.795 -11.920 1.00 73.13 H new ATOM 0 HG21 ILE B 23 9.625 3.852 -9.762 1.00 35.33 H new ATOM 0 HG22 ILE B 23 9.106 5.552 -9.689 1.00 35.33 H new ATOM 0 HG23 ILE B 23 7.897 4.249 -9.608 1.00 35.33 H new ATOM 0 HD11 ILE B 23 8.511 2.020 -14.020 1.00 23.31 H new ATOM 0 HD12 ILE B 23 7.940 3.697 -14.186 1.00 23.31 H new ATOM 0 HD13 ILE B 23 9.676 3.365 -13.980 1.00 23.31 H new ATOM 1640 N SER B 24 5.388 4.490 -12.046 1.00 63.53 N ATOM 1641 CA SER B 24 4.091 4.040 -11.475 1.00 22.54 C ATOM 1642 C SER B 24 4.271 2.682 -10.769 1.00 62.35 C ATOM 1643 O SER B 24 5.239 1.964 -11.039 1.00 53.23 O ATOM 1644 CB SER B 24 3.009 3.934 -12.579 1.00 31.10 C ATOM 1645 OG SER B 24 1.746 3.552 -12.042 1.00 25.10 O ATOM 0 H SER B 24 5.582 4.106 -12.971 1.00 63.53 H new ATOM 0 HA SER B 24 3.759 4.779 -10.746 1.00 22.54 H new ATOM 0 HB2 SER B 24 2.913 4.893 -13.088 1.00 31.10 H new ATOM 0 HB3 SER B 24 3.322 3.206 -13.327 1.00 31.10 H new ATOM 0 HG SER B 24 1.087 3.496 -12.765 1.00 25.10 H new ATOM 1651 N ILE B 25 3.302 2.328 -9.905 1.00 13.13 N ATOM 1652 CA ILE B 25 3.373 1.130 -9.027 1.00 35.14 C ATOM 1653 C ILE B 25 3.599 -0.226 -9.806 1.00 14.33 C ATOM 1654 O ILE B 25 4.490 -0.988 -9.414 1.00 1.43 O ATOM 1655 CB ILE B 25 2.092 1.029 -8.107 1.00 63.02 C ATOM 1656 CG1 ILE B 25 1.951 2.306 -7.208 1.00 13.42 C ATOM 1657 CG2 ILE B 25 2.077 -0.279 -7.263 1.00 65.51 C ATOM 1658 CD1 ILE B 25 0.683 2.363 -6.358 1.00 12.11 C ATOM 0 H ILE B 25 2.441 2.863 -9.791 1.00 13.13 H new ATOM 0 HA ILE B 25 4.258 1.274 -8.407 1.00 35.14 H new ATOM 0 HB ILE B 25 1.221 0.982 -8.760 1.00 63.02 H new ATOM 0 HG12 ILE B 25 2.816 2.363 -6.547 1.00 13.42 H new ATOM 0 HG13 ILE B 25 1.980 3.187 -7.849 1.00 13.42 H new ATOM 0 HG21 ILE B 25 1.178 -0.304 -6.647 1.00 65.51 H new ATOM 0 HG22 ILE B 25 2.084 -1.142 -7.929 1.00 65.51 H new ATOM 0 HG23 ILE B 25 2.958 -0.308 -6.621 1.00 65.51 H new ATOM 0 HD11 ILE B 25 0.678 3.283 -5.773 1.00 12.11 H new ATOM 0 HD12 ILE B 25 -0.192 2.342 -7.008 1.00 12.11 H new ATOM 0 HD13 ILE B 25 0.657 1.505 -5.686 1.00 12.11 H new ATOM 1670 N PRO B 26 2.819 -0.565 -10.914 1.00 2.04 N ATOM 1671 CA PRO B 26 3.004 -1.857 -11.651 1.00 40.31 C ATOM 1672 C PRO B 26 4.366 -1.974 -12.398 1.00 73.22 C ATOM 1673 O PRO B 26 4.911 -3.070 -12.531 1.00 33.04 O ATOM 1674 CB PRO B 26 1.804 -1.879 -12.648 1.00 43.14 C ATOM 1675 CG PRO B 26 1.482 -0.435 -12.866 1.00 10.13 C ATOM 1676 CD PRO B 26 1.698 0.222 -11.516 1.00 64.14 C ATOM 0 HA PRO B 26 3.024 -2.703 -10.964 1.00 40.31 H new ATOM 0 HB2 PRO B 26 2.071 -2.373 -13.582 1.00 43.14 H new ATOM 0 HB3 PRO B 26 0.952 -2.419 -12.234 1.00 43.14 H new ATOM 0 HG2 PRO B 26 2.128 0.003 -13.626 1.00 10.13 H new ATOM 0 HG3 PRO B 26 0.455 -0.307 -13.208 1.00 10.13 H new ATOM 0 HD2 PRO B 26 1.959 1.275 -11.620 1.00 64.14 H new ATOM 0 HD3 PRO B 26 0.800 0.176 -10.900 1.00 64.14 H new ATOM 1684 N GLU B 27 4.907 -0.833 -12.844 1.00 21.22 N ATOM 1685 CA GLU B 27 6.176 -0.770 -13.619 1.00 20.33 C ATOM 1686 C GLU B 27 7.387 -0.893 -12.678 1.00 2.01 C ATOM 1687 O GLU B 27 8.375 -1.573 -12.964 1.00 1.11 O ATOM 1688 CB GLU B 27 6.229 0.569 -14.380 1.00 62.14 C ATOM 1689 CG GLU B 27 5.055 0.792 -15.353 1.00 12.40 C ATOM 1690 CD GLU B 27 4.895 -0.341 -16.386 1.00 2.13 C ATOM 1691 OE1 GLU B 27 5.659 -0.372 -17.380 1.00 1.44 O ATOM 1692 OE2 GLU B 27 4.009 -1.207 -16.209 1.00 14.24 O ATOM 0 H GLU B 27 4.484 0.081 -12.683 1.00 21.22 H new ATOM 0 HA GLU B 27 6.211 -1.598 -14.327 1.00 20.33 H new ATOM 0 HB2 GLU B 27 6.246 1.384 -13.657 1.00 62.14 H new ATOM 0 HB3 GLU B 27 7.163 0.619 -14.939 1.00 62.14 H new ATOM 0 HG2 GLU B 27 4.132 0.886 -14.782 1.00 12.40 H new ATOM 0 HG3 GLU B 27 5.202 1.735 -15.879 1.00 12.40 H new ATOM 1699 N LEU B 28 7.265 -0.187 -11.557 1.00 64.33 N ATOM 1700 CA LEU B 28 8.163 -0.273 -10.398 1.00 4.31 C ATOM 1701 C LEU B 28 8.218 -1.719 -9.840 1.00 51.23 C ATOM 1702 O LEU B 28 9.292 -2.212 -9.486 1.00 52.21 O ATOM 1703 CB LEU B 28 7.615 0.716 -9.350 1.00 32.31 C ATOM 1704 CG LEU B 28 8.310 0.777 -7.969 1.00 3.42 C ATOM 1705 CD1 LEU B 28 9.780 1.237 -8.069 1.00 61.14 C ATOM 1706 CD2 LEU B 28 7.487 1.675 -7.033 1.00 54.25 C ATOM 0 H LEU B 28 6.512 0.487 -11.421 1.00 64.33 H new ATOM 0 HA LEU B 28 9.186 -0.018 -10.673 1.00 4.31 H new ATOM 0 HB2 LEU B 28 7.650 1.715 -9.785 1.00 32.31 H new ATOM 0 HB3 LEU B 28 6.565 0.477 -9.184 1.00 32.31 H new ATOM 0 HG LEU B 28 8.349 -0.230 -7.553 1.00 3.42 H new ATOM 0 HD11 LEU B 28 10.222 1.263 -7.073 1.00 61.14 H new ATOM 0 HD12 LEU B 28 10.337 0.540 -8.695 1.00 61.14 H new ATOM 0 HD13 LEU B 28 9.820 2.233 -8.510 1.00 61.14 H new ATOM 0 HD21 LEU B 28 7.970 1.723 -6.057 1.00 54.25 H new ATOM 0 HD22 LEU B 28 7.421 2.678 -7.455 1.00 54.25 H new ATOM 0 HD23 LEU B 28 6.484 1.262 -6.921 1.00 54.25 H new ATOM 1718 N ALA B 29 7.038 -2.377 -9.799 1.00 33.44 N ATOM 1719 CA ALA B 29 6.897 -3.800 -9.406 1.00 72.15 C ATOM 1720 C ALA B 29 7.705 -4.736 -10.335 1.00 70.21 C ATOM 1721 O ALA B 29 8.301 -5.713 -9.881 1.00 14.21 O ATOM 1722 CB ALA B 29 5.410 -4.198 -9.392 1.00 31.25 C ATOM 0 H ALA B 29 6.151 -1.935 -10.039 1.00 33.44 H new ATOM 0 HA ALA B 29 7.306 -3.912 -8.402 1.00 72.15 H new ATOM 0 HB1 ALA B 29 5.316 -5.245 -9.102 1.00 31.25 H new ATOM 0 HB2 ALA B 29 4.873 -3.574 -8.677 1.00 31.25 H new ATOM 0 HB3 ALA B 29 4.986 -4.057 -10.386 1.00 31.25 H new ATOM 1728 N ARG B 30 7.735 -4.398 -11.640 1.00 53.41 N ATOM 1729 CA ARG B 30 8.535 -5.131 -12.649 1.00 32.34 C ATOM 1730 C ARG B 30 10.054 -4.958 -12.404 1.00 73.11 C ATOM 1731 O ARG B 30 10.825 -5.904 -12.597 1.00 54.32 O ATOM 1732 CB ARG B 30 8.173 -4.653 -14.077 1.00 53.43 C ATOM 1733 CG ARG B 30 6.714 -4.928 -14.503 1.00 72.20 C ATOM 1734 CD ARG B 30 6.396 -6.432 -14.608 1.00 1.42 C ATOM 1735 NE ARG B 30 7.248 -7.105 -15.612 1.00 41.15 N ATOM 1736 CZ ARG B 30 7.516 -8.393 -15.652 1.00 3.02 C ATOM 1737 NH1 ARG B 30 7.031 -9.214 -14.772 1.00 31.22 N ATOM 1738 NH2 ARG B 30 8.279 -8.862 -16.583 1.00 15.43 N ATOM 0 H ARG B 30 7.209 -3.614 -12.025 1.00 53.41 H new ATOM 0 HA ARG B 30 8.295 -6.190 -12.553 1.00 32.34 H new ATOM 0 HB2 ARG B 30 8.360 -3.581 -14.144 1.00 53.43 H new ATOM 0 HB3 ARG B 30 8.842 -5.139 -14.788 1.00 53.43 H new ATOM 0 HG2 ARG B 30 6.037 -4.468 -13.783 1.00 72.20 H new ATOM 0 HG3 ARG B 30 6.526 -4.453 -15.466 1.00 72.20 H new ATOM 0 HD2 ARG B 30 6.540 -6.903 -13.635 1.00 1.42 H new ATOM 0 HD3 ARG B 30 5.347 -6.564 -14.874 1.00 1.42 H new ATOM 0 HE ARG B 30 7.664 -6.520 -16.337 1.00 41.15 H new ATOM 0 HH11 ARG B 30 6.427 -8.865 -14.028 1.00 31.22 H new ATOM 0 HH12 ARG B 30 7.254 -10.208 -14.825 1.00 31.22 H new ATOM 0 HH21 ARG B 30 8.672 -8.235 -17.285 1.00 15.43 H new ATOM 0 HH22 ARG B 30 8.488 -9.860 -16.616 1.00 15.43 H new ATOM 1752 N LYS B 31 10.469 -3.742 -11.980 1.00 55.23 N ATOM 1753 CA LYS B 31 11.888 -3.442 -11.660 1.00 32.32 C ATOM 1754 C LYS B 31 12.364 -4.232 -10.412 1.00 2.20 C ATOM 1755 O LYS B 31 13.492 -4.740 -10.375 1.00 22.34 O ATOM 1756 CB LYS B 31 12.108 -1.911 -11.436 1.00 44.23 C ATOM 1757 CG LYS B 31 11.682 -1.008 -12.625 1.00 71.22 C ATOM 1758 CD LYS B 31 12.285 0.423 -12.567 1.00 42.22 C ATOM 1759 CE LYS B 31 11.931 1.213 -11.291 1.00 24.00 C ATOM 1760 NZ LYS B 31 12.565 2.565 -11.275 1.00 43.42 N ATOM 0 H LYS B 31 9.841 -2.949 -11.851 1.00 55.23 H new ATOM 0 HA LYS B 31 12.483 -3.757 -12.517 1.00 32.32 H new ATOM 0 HB2 LYS B 31 11.553 -1.605 -10.549 1.00 44.23 H new ATOM 0 HB3 LYS B 31 13.164 -1.737 -11.227 1.00 44.23 H new ATOM 0 HG2 LYS B 31 11.985 -1.483 -13.558 1.00 71.22 H new ATOM 0 HG3 LYS B 31 10.595 -0.935 -12.643 1.00 71.22 H new ATOM 0 HD2 LYS B 31 13.370 0.350 -12.645 1.00 42.22 H new ATOM 0 HD3 LYS B 31 11.940 0.985 -13.435 1.00 42.22 H new ATOM 0 HE2 LYS B 31 10.849 1.320 -11.219 1.00 24.00 H new ATOM 0 HE3 LYS B 31 12.255 0.651 -10.415 1.00 24.00 H new ATOM 0 HZ1 LYS B 31 12.796 2.829 -10.296 1.00 43.42 H new ATOM 0 HZ2 LYS B 31 13.436 2.547 -11.843 1.00 43.42 H new ATOM 0 HZ3 LYS B 31 11.905 3.263 -11.675 1.00 43.42 H new ATOM 1774 N VAL B 32 11.481 -4.336 -9.398 1.00 24.35 N ATOM 1775 CA VAL B 32 11.786 -5.030 -8.122 1.00 31.02 C ATOM 1776 C VAL B 32 11.285 -6.500 -8.101 1.00 64.23 C ATOM 1777 O VAL B 32 11.329 -7.149 -7.053 1.00 2.11 O ATOM 1778 CB VAL B 32 11.205 -4.233 -6.896 1.00 61.01 C ATOM 1779 CG1 VAL B 32 11.827 -2.823 -6.821 1.00 31.32 C ATOM 1780 CG2 VAL B 32 9.658 -4.157 -6.940 1.00 23.42 C ATOM 0 H VAL B 32 10.540 -3.945 -9.436 1.00 24.35 H new ATOM 0 HA VAL B 32 12.872 -5.063 -8.041 1.00 31.02 H new ATOM 0 HB VAL B 32 11.475 -4.777 -5.991 1.00 61.01 H new ATOM 0 HG11 VAL B 32 11.413 -2.287 -5.967 1.00 31.32 H new ATOM 0 HG12 VAL B 32 12.908 -2.908 -6.707 1.00 31.32 H new ATOM 0 HG13 VAL B 32 11.601 -2.276 -7.736 1.00 31.32 H new ATOM 0 HG21 VAL B 32 9.296 -3.599 -6.076 1.00 23.42 H new ATOM 0 HG22 VAL B 32 9.344 -3.654 -7.855 1.00 23.42 H new ATOM 0 HG23 VAL B 32 9.243 -5.165 -6.920 1.00 23.42 H new ATOM 1790 N ASN B 33 10.788 -7.001 -9.256 1.00 60.22 N ATOM 1791 CA ASN B 33 10.396 -8.433 -9.452 1.00 13.11 C ATOM 1792 C ASN B 33 9.176 -8.858 -8.557 1.00 14.43 C ATOM 1793 O ASN B 33 8.863 -10.044 -8.439 1.00 22.20 O ATOM 1794 CB ASN B 33 11.637 -9.368 -9.219 1.00 75.31 C ATOM 1795 CG ASN B 33 11.472 -10.808 -9.726 1.00 53.11 C ATOM 1796 OD1 ASN B 33 10.794 -11.061 -10.723 1.00 75.24 O ATOM 1797 ND2 ASN B 33 12.073 -11.762 -9.039 1.00 14.33 N ATOM 0 H ASN B 33 10.644 -6.428 -10.087 1.00 60.22 H new ATOM 0 HA ASN B 33 10.061 -8.543 -10.483 1.00 13.11 H new ATOM 0 HB2 ASN B 33 12.504 -8.924 -9.709 1.00 75.31 H new ATOM 0 HB3 ASN B 33 11.854 -9.398 -8.151 1.00 75.31 H new ATOM 0 HD21 ASN B 33 11.982 -12.735 -9.330 1.00 14.33 H new ATOM 0 HD22 ASN B 33 12.629 -11.526 -8.217 1.00 14.33 H new ATOM 1804 N LEU B 34 8.481 -7.877 -7.943 1.00 13.51 N ATOM 1805 CA LEU B 34 7.310 -8.134 -7.063 1.00 72.15 C ATOM 1806 C LEU B 34 5.988 -7.961 -7.846 1.00 42.01 C ATOM 1807 O LEU B 34 5.983 -7.478 -8.986 1.00 13.40 O ATOM 1808 CB LEU B 34 7.345 -7.168 -5.836 1.00 3.24 C ATOM 1809 CG LEU B 34 8.672 -7.151 -5.005 1.00 71.41 C ATOM 1810 CD1 LEU B 34 8.607 -6.099 -3.876 1.00 42.14 C ATOM 1811 CD2 LEU B 34 9.028 -8.559 -4.468 1.00 72.33 C ATOM 0 H LEU B 34 8.710 -6.888 -8.039 1.00 13.51 H new ATOM 0 HA LEU B 34 7.361 -9.163 -6.707 1.00 72.15 H new ATOM 0 HB2 LEU B 34 7.151 -6.156 -6.191 1.00 3.24 H new ATOM 0 HB3 LEU B 34 6.526 -7.434 -5.168 1.00 3.24 H new ATOM 0 HG LEU B 34 9.480 -6.858 -5.675 1.00 71.41 H new ATOM 0 HD11 LEU B 34 9.542 -6.109 -3.315 1.00 42.14 H new ATOM 0 HD12 LEU B 34 8.454 -5.110 -4.308 1.00 42.14 H new ATOM 0 HD13 LEU B 34 7.780 -6.334 -3.207 1.00 42.14 H new ATOM 0 HD21 LEU B 34 9.955 -8.507 -3.897 1.00 72.33 H new ATOM 0 HD22 LEU B 34 8.224 -8.917 -3.824 1.00 72.33 H new ATOM 0 HD23 LEU B 34 9.156 -9.246 -5.305 1.00 72.33 H new ATOM 1823 N SER B 35 4.869 -8.391 -7.240 1.00 52.43 N ATOM 1824 CA SER B 35 3.512 -8.102 -7.768 1.00 1.31 C ATOM 1825 C SER B 35 3.116 -6.628 -7.504 1.00 53.23 C ATOM 1826 O SER B 35 3.690 -5.965 -6.630 1.00 31.33 O ATOM 1827 CB SER B 35 2.469 -9.056 -7.133 1.00 64.44 C ATOM 1828 OG SER B 35 2.728 -10.414 -7.474 1.00 54.33 O ATOM 0 H SER B 35 4.871 -8.942 -6.382 1.00 52.43 H new ATOM 0 HA SER B 35 3.529 -8.265 -8.846 1.00 1.31 H new ATOM 0 HB2 SER B 35 2.483 -8.943 -6.049 1.00 64.44 H new ATOM 0 HB3 SER B 35 1.470 -8.780 -7.469 1.00 64.44 H new ATOM 0 HG SER B 35 2.054 -10.990 -7.057 1.00 54.33 H new ATOM 1834 N VAL B 36 2.133 -6.138 -8.277 1.00 34.34 N ATOM 1835 CA VAL B 36 1.614 -4.745 -8.192 1.00 60.04 C ATOM 1836 C VAL B 36 1.202 -4.349 -6.748 1.00 50.45 C ATOM 1837 O VAL B 36 1.727 -3.384 -6.187 1.00 12.32 O ATOM 1838 CB VAL B 36 0.382 -4.579 -9.160 1.00 10.40 C ATOM 1839 CG1 VAL B 36 -0.309 -3.198 -9.007 1.00 52.13 C ATOM 1840 CG2 VAL B 36 0.783 -4.862 -10.630 1.00 34.34 C ATOM 0 H VAL B 36 1.665 -6.697 -8.990 1.00 34.34 H new ATOM 0 HA VAL B 36 2.423 -4.079 -8.491 1.00 60.04 H new ATOM 0 HB VAL B 36 -0.356 -5.326 -8.868 1.00 10.40 H new ATOM 0 HG11 VAL B 36 -1.151 -3.134 -9.696 1.00 52.13 H new ATOM 0 HG12 VAL B 36 -0.667 -3.082 -7.984 1.00 52.13 H new ATOM 0 HG13 VAL B 36 0.405 -2.407 -9.233 1.00 52.13 H new ATOM 0 HG21 VAL B 36 -0.087 -4.740 -11.275 1.00 34.34 H new ATOM 0 HG22 VAL B 36 1.562 -4.163 -10.936 1.00 34.34 H new ATOM 0 HG23 VAL B 36 1.157 -5.882 -10.715 1.00 34.34 H new ATOM 1850 N GLU B 37 0.274 -5.122 -6.165 1.00 40.33 N ATOM 1851 CA GLU B 37 -0.277 -4.866 -4.808 1.00 73.22 C ATOM 1852 C GLU B 37 0.784 -5.101 -3.707 1.00 63.21 C ATOM 1853 O GLU B 37 0.742 -4.469 -2.651 1.00 5.00 O ATOM 1854 CB GLU B 37 -1.543 -5.735 -4.550 1.00 34.32 C ATOM 1855 CG GLU B 37 -2.724 -5.484 -5.529 1.00 61.22 C ATOM 1856 CD GLU B 37 -2.488 -6.001 -6.961 1.00 13.13 C ATOM 1857 OE1 GLU B 37 -1.951 -7.121 -7.123 1.00 12.23 O ATOM 1858 OE2 GLU B 37 -2.810 -5.284 -7.926 1.00 51.15 O ATOM 0 H GLU B 37 -0.123 -5.947 -6.615 1.00 40.33 H new ATOM 0 HA GLU B 37 -0.567 -3.816 -4.766 1.00 73.22 H new ATOM 0 HB2 GLU B 37 -1.261 -6.786 -4.607 1.00 34.32 H new ATOM 0 HB3 GLU B 37 -1.889 -5.552 -3.533 1.00 34.32 H new ATOM 0 HG2 GLU B 37 -3.619 -5.959 -5.128 1.00 61.22 H new ATOM 0 HG3 GLU B 37 -2.923 -4.413 -5.571 1.00 61.22 H new ATOM 1865 N SER B 38 1.715 -6.035 -3.976 1.00 35.34 N ATOM 1866 CA SER B 38 2.888 -6.303 -3.108 1.00 35.13 C ATOM 1867 C SER B 38 3.796 -5.053 -2.982 1.00 10.44 C ATOM 1868 O SER B 38 4.303 -4.746 -1.896 1.00 64.21 O ATOM 1869 CB SER B 38 3.693 -7.497 -3.673 1.00 24.43 C ATOM 1870 OG SER B 38 2.904 -8.679 -3.724 1.00 61.33 O ATOM 0 H SER B 38 1.679 -6.630 -4.804 1.00 35.34 H new ATOM 0 HA SER B 38 2.526 -6.550 -2.110 1.00 35.13 H new ATOM 0 HB2 SER B 38 4.052 -7.254 -4.673 1.00 24.43 H new ATOM 0 HB3 SER B 38 4.572 -7.671 -3.052 1.00 24.43 H new ATOM 0 HG SER B 38 3.440 -9.415 -4.087 1.00 61.33 H new ATOM 1876 N THR B 39 3.968 -4.339 -4.106 1.00 32.50 N ATOM 1877 CA THR B 39 4.755 -3.088 -4.172 1.00 13.25 C ATOM 1878 C THR B 39 3.968 -1.887 -3.578 1.00 61.12 C ATOM 1879 O THR B 39 4.533 -1.089 -2.835 1.00 12.11 O ATOM 1880 CB THR B 39 5.175 -2.794 -5.650 1.00 64.32 C ATOM 1881 OG1 THR B 39 6.017 -3.861 -6.125 1.00 53.44 O ATOM 1882 CG2 THR B 39 5.908 -1.449 -5.823 1.00 35.13 C ATOM 0 H THR B 39 3.564 -4.612 -5.002 1.00 32.50 H new ATOM 0 HA THR B 39 5.653 -3.222 -3.568 1.00 13.25 H new ATOM 0 HB THR B 39 4.256 -2.728 -6.233 1.00 64.32 H new ATOM 0 HG1 THR B 39 5.465 -4.641 -6.344 1.00 53.44 H new ATOM 0 HG21 THR B 39 6.170 -1.310 -6.872 1.00 35.13 H new ATOM 0 HG22 THR B 39 5.258 -0.636 -5.500 1.00 35.13 H new ATOM 0 HG23 THR B 39 6.816 -1.449 -5.219 1.00 35.13 H new ATOM 1890 N ALA B 40 2.656 -1.790 -3.898 1.00 42.11 N ATOM 1891 CA ALA B 40 1.752 -0.712 -3.388 1.00 32.05 C ATOM 1892 C ALA B 40 1.666 -0.713 -1.840 1.00 24.33 C ATOM 1893 O ALA B 40 1.639 0.342 -1.193 1.00 73.03 O ATOM 1894 CB ALA B 40 0.349 -0.885 -3.999 1.00 13.44 C ATOM 0 H ALA B 40 2.187 -2.452 -4.516 1.00 42.11 H new ATOM 0 HA ALA B 40 2.170 0.249 -3.689 1.00 32.05 H new ATOM 0 HB1 ALA B 40 -0.309 -0.100 -3.627 1.00 13.44 H new ATOM 0 HB2 ALA B 40 0.415 -0.820 -5.085 1.00 13.44 H new ATOM 0 HB3 ALA B 40 -0.053 -1.858 -3.718 1.00 13.44 H new ATOM 1900 N LEU B 41 1.620 -1.926 -1.281 1.00 41.51 N ATOM 1901 CA LEU B 41 1.682 -2.189 0.177 1.00 22.21 C ATOM 1902 C LEU B 41 3.025 -1.653 0.759 1.00 72.32 C ATOM 1903 O LEU B 41 3.049 -0.918 1.752 1.00 21.42 O ATOM 1904 CB LEU B 41 1.572 -3.730 0.387 1.00 42.30 C ATOM 1905 CG LEU B 41 0.954 -4.284 1.712 1.00 35.24 C ATOM 1906 CD1 LEU B 41 1.100 -5.816 1.721 1.00 53.35 C ATOM 1907 CD2 LEU B 41 1.546 -3.646 2.994 1.00 14.24 C ATOM 0 H LEU B 41 1.537 -2.779 -1.835 1.00 41.51 H new ATOM 0 HA LEU B 41 0.868 -1.681 0.694 1.00 22.21 H new ATOM 0 HB2 LEU B 41 0.986 -4.131 -0.440 1.00 42.30 H new ATOM 0 HB3 LEU B 41 2.576 -4.145 0.297 1.00 42.30 H new ATOM 0 HG LEU B 41 -0.100 -4.007 1.729 1.00 35.24 H new ATOM 0 HD11 LEU B 41 0.673 -6.217 2.640 1.00 53.35 H new ATOM 0 HD12 LEU B 41 0.575 -6.237 0.863 1.00 53.35 H new ATOM 0 HD13 LEU B 41 2.156 -6.081 1.666 1.00 53.35 H new ATOM 0 HD21 LEU B 41 1.067 -4.081 3.871 1.00 14.24 H new ATOM 0 HD22 LEU B 41 2.618 -3.837 3.033 1.00 14.24 H new ATOM 0 HD23 LEU B 41 1.369 -2.571 2.980 1.00 14.24 H new ATOM 1919 N ALA B 42 4.128 -2.046 0.092 1.00 63.12 N ATOM 1920 CA ALA B 42 5.506 -1.669 0.481 1.00 12.12 C ATOM 1921 C ALA B 42 5.731 -0.131 0.420 1.00 12.25 C ATOM 1922 O ALA B 42 6.568 0.411 1.147 1.00 12.52 O ATOM 1923 CB ALA B 42 6.508 -2.406 -0.420 1.00 2.03 C ATOM 0 H ALA B 42 4.090 -2.638 -0.738 1.00 63.12 H new ATOM 0 HA ALA B 42 5.662 -1.966 1.518 1.00 12.12 H new ATOM 0 HB1 ALA B 42 7.524 -2.130 -0.136 1.00 2.03 H new ATOM 0 HB2 ALA B 42 6.378 -3.482 -0.304 1.00 2.03 H new ATOM 0 HB3 ALA B 42 6.334 -2.129 -1.460 1.00 2.03 H new ATOM 1929 N VAL B 43 4.962 0.554 -0.448 1.00 15.42 N ATOM 1930 CA VAL B 43 4.965 2.043 -0.550 1.00 25.44 C ATOM 1931 C VAL B 43 4.345 2.682 0.727 1.00 44.24 C ATOM 1932 O VAL B 43 4.855 3.688 1.242 1.00 0.50 O ATOM 1933 CB VAL B 43 4.208 2.533 -1.850 1.00 61.33 C ATOM 1934 CG1 VAL B 43 4.010 4.071 -1.875 1.00 0.12 C ATOM 1935 CG2 VAL B 43 4.939 2.056 -3.135 1.00 15.34 C ATOM 0 H VAL B 43 4.321 0.102 -1.100 1.00 15.42 H new ATOM 0 HA VAL B 43 6.002 2.370 -0.629 1.00 25.44 H new ATOM 0 HB VAL B 43 3.217 2.081 -1.824 1.00 61.33 H new ATOM 0 HG11 VAL B 43 3.486 4.356 -2.787 1.00 0.12 H new ATOM 0 HG12 VAL B 43 3.423 4.376 -1.009 1.00 0.12 H new ATOM 0 HG13 VAL B 43 4.982 4.563 -1.846 1.00 0.12 H new ATOM 0 HG21 VAL B 43 4.397 2.407 -4.013 1.00 15.34 H new ATOM 0 HG22 VAL B 43 5.952 2.459 -3.148 1.00 15.34 H new ATOM 0 HG23 VAL B 43 4.982 0.967 -3.146 1.00 15.34 H new ATOM 1945 N GLY B 44 3.264 2.063 1.242 1.00 73.51 N ATOM 1946 CA GLY B 44 2.647 2.478 2.517 1.00 11.21 C ATOM 1947 C GLY B 44 3.561 2.244 3.734 1.00 4.44 C ATOM 1948 O GLY B 44 3.457 2.941 4.752 1.00 31.12 O ATOM 0 H GLY B 44 2.800 1.273 0.794 1.00 73.51 H new ATOM 0 HA2 GLY B 44 2.389 3.536 2.462 1.00 11.21 H new ATOM 0 HA3 GLY B 44 1.716 1.930 2.659 1.00 11.21 H new ATOM 1952 N TRP B 45 4.453 1.242 3.624 1.00 53.13 N ATOM 1953 CA TRP B 45 5.499 0.965 4.634 1.00 23.01 C ATOM 1954 C TRP B 45 6.656 2.006 4.557 1.00 44.42 C ATOM 1955 O TRP B 45 7.290 2.329 5.557 1.00 40.33 O ATOM 1956 CB TRP B 45 6.038 -0.473 4.446 1.00 32.22 C ATOM 1957 CG TRP B 45 6.929 -0.947 5.572 1.00 44.42 C ATOM 1958 CD1 TRP B 45 8.291 -1.003 5.595 1.00 3.12 C ATOM 1959 CD2 TRP B 45 6.495 -1.398 6.860 1.00 13.31 C ATOM 1960 NE1 TRP B 45 8.721 -1.512 6.791 1.00 62.32 N ATOM 1961 CE2 TRP B 45 7.641 -1.759 7.586 1.00 14.44 C ATOM 1962 CE3 TRP B 45 5.242 -1.548 7.453 1.00 23.33 C ATOM 1963 CZ2 TRP B 45 7.574 -2.260 8.883 1.00 2.22 C ATOM 1964 CZ3 TRP B 45 5.173 -2.038 8.741 1.00 3.33 C ATOM 1965 CH2 TRP B 45 6.334 -2.391 9.446 1.00 73.23 C ATOM 0 H TRP B 45 4.471 0.599 2.832 1.00 53.13 H new ATOM 0 HA TRP B 45 5.053 1.051 5.625 1.00 23.01 H new ATOM 0 HB2 TRP B 45 5.195 -1.157 4.351 1.00 32.22 H new ATOM 0 HB3 TRP B 45 6.595 -0.522 3.510 1.00 32.22 H new ATOM 0 HD1 TRP B 45 8.937 -0.691 4.787 1.00 3.12 H new ATOM 0 HE1 TRP B 45 9.694 -1.680 7.047 1.00 62.32 H new ATOM 0 HE3 TRP B 45 4.343 -1.286 6.915 1.00 23.33 H new ATOM 0 HZ2 TRP B 45 8.467 -2.535 9.424 1.00 2.22 H new ATOM 0 HZ3 TRP B 45 4.209 -2.152 9.215 1.00 3.33 H new ATOM 0 HH2 TRP B 45 6.247 -2.773 10.452 1.00 73.23 H new ATOM 1976 N LEU B 46 6.936 2.506 3.349 1.00 24.22 N ATOM 1977 CA LEU B 46 7.895 3.614 3.131 1.00 63.23 C ATOM 1978 C LEU B 46 7.331 4.972 3.635 1.00 21.43 C ATOM 1979 O LEU B 46 8.100 5.895 3.939 1.00 22.41 O ATOM 1980 CB LEU B 46 8.304 3.678 1.641 1.00 62.34 C ATOM 1981 CG LEU B 46 9.212 2.512 1.145 1.00 41.24 C ATOM 1982 CD1 LEU B 46 9.432 2.573 -0.382 1.00 22.33 C ATOM 1983 CD2 LEU B 46 10.556 2.491 1.920 1.00 55.34 C ATOM 0 H LEU B 46 6.509 2.160 2.490 1.00 24.22 H new ATOM 0 HA LEU B 46 8.789 3.414 3.721 1.00 63.23 H new ATOM 0 HB2 LEU B 46 7.399 3.694 1.034 1.00 62.34 H new ATOM 0 HB3 LEU B 46 8.823 4.620 1.465 1.00 62.34 H new ATOM 0 HG LEU B 46 8.696 1.575 1.353 1.00 41.24 H new ATOM 0 HD11 LEU B 46 10.070 1.745 -0.691 1.00 22.33 H new ATOM 0 HD12 LEU B 46 8.471 2.501 -0.891 1.00 22.33 H new ATOM 0 HD13 LEU B 46 9.911 3.517 -0.643 1.00 22.33 H new ATOM 0 HD21 LEU B 46 11.173 1.669 1.557 1.00 55.34 H new ATOM 0 HD22 LEU B 46 11.080 3.434 1.765 1.00 55.34 H new ATOM 0 HD23 LEU B 46 10.361 2.355 2.984 1.00 55.34 H new ATOM 1995 N ALA B 47 5.988 5.103 3.644 1.00 25.11 N ATOM 1996 CA ALA B 47 5.284 6.265 4.249 1.00 40.14 C ATOM 1997 C ALA B 47 5.638 6.483 5.757 1.00 51.40 C ATOM 1998 O ALA B 47 5.708 7.631 6.212 1.00 22.11 O ATOM 1999 CB ALA B 47 3.761 6.123 4.059 1.00 22.23 C ATOM 0 H ALA B 47 5.359 4.412 3.235 1.00 25.11 H new ATOM 0 HA ALA B 47 5.633 7.154 3.724 1.00 40.14 H new ATOM 0 HB1 ALA B 47 3.257 6.980 4.506 1.00 22.23 H new ATOM 0 HB2 ALA B 47 3.529 6.081 2.995 1.00 22.23 H new ATOM 0 HB3 ALA B 47 3.418 5.208 4.542 1.00 22.23 H new ATOM 2005 N ARG B 48 5.864 5.386 6.534 1.00 4.40 N ATOM 2006 CA ARG B 48 6.341 5.516 7.948 1.00 63.54 C ATOM 2007 C ARG B 48 7.842 5.914 7.994 1.00 34.25 C ATOM 2008 O ARG B 48 8.298 6.539 8.953 1.00 73.42 O ATOM 2009 CB ARG B 48 6.122 4.217 8.784 1.00 20.45 C ATOM 2010 CG ARG B 48 7.089 3.057 8.472 1.00 44.20 C ATOM 2011 CD ARG B 48 7.100 1.940 9.534 1.00 34.12 C ATOM 2012 NE ARG B 48 8.236 1.028 9.327 1.00 45.02 N ATOM 2013 CZ ARG B 48 9.495 1.309 9.594 1.00 40.42 C ATOM 2014 NH1 ARG B 48 9.831 2.406 10.213 1.00 70.12 N ATOM 2015 NH2 ARG B 48 10.419 0.470 9.257 1.00 53.51 N ATOM 0 H ARG B 48 5.729 4.425 6.219 1.00 4.40 H new ATOM 0 HA ARG B 48 5.738 6.304 8.398 1.00 63.54 H new ATOM 0 HB2 ARG B 48 6.211 4.467 9.841 1.00 20.45 H new ATOM 0 HB3 ARG B 48 5.101 3.870 8.623 1.00 20.45 H new ATOM 0 HG2 ARG B 48 6.820 2.624 7.508 1.00 44.20 H new ATOM 0 HG3 ARG B 48 8.098 3.457 8.371 1.00 44.20 H new ATOM 0 HD2 ARG B 48 7.159 2.380 10.529 1.00 34.12 H new ATOM 0 HD3 ARG B 48 6.166 1.380 9.488 1.00 34.12 H new ATOM 0 HE ARG B 48 8.032 0.104 8.946 1.00 45.02 H new ATOM 0 HH11 ARG B 48 9.112 3.069 10.502 1.00 70.12 H new ATOM 0 HH12 ARG B 48 10.813 2.601 10.408 1.00 70.12 H new ATOM 0 HH21 ARG B 48 10.171 -0.401 8.788 1.00 53.51 H new ATOM 0 HH22 ARG B 48 11.396 0.679 9.460 1.00 53.51 H new ATOM 2029 N GLU B 49 8.598 5.502 6.958 1.00 51.51 N ATOM 2030 CA GLU B 49 10.032 5.847 6.786 1.00 73.12 C ATOM 2031 C GLU B 49 10.238 7.332 6.388 1.00 20.33 C ATOM 2032 O GLU B 49 11.329 7.878 6.584 1.00 33.24 O ATOM 2033 CB GLU B 49 10.664 4.917 5.710 1.00 25.31 C ATOM 2034 CG GLU B 49 10.913 3.462 6.156 1.00 31.52 C ATOM 2035 CD GLU B 49 12.104 3.339 7.127 1.00 13.34 C ATOM 2036 OE1 GLU B 49 13.266 3.339 6.655 1.00 51.25 O ATOM 2037 OE2 GLU B 49 11.894 3.249 8.357 1.00 5.01 O ATOM 0 H GLU B 49 8.232 4.915 6.208 1.00 51.51 H new ATOM 0 HA GLU B 49 10.525 5.700 7.747 1.00 73.12 H new ATOM 0 HB2 GLU B 49 10.012 4.905 4.837 1.00 25.31 H new ATOM 0 HB3 GLU B 49 11.613 5.349 5.393 1.00 25.31 H new ATOM 0 HG2 GLU B 49 10.015 3.074 6.636 1.00 31.52 H new ATOM 0 HG3 GLU B 49 11.098 2.843 5.278 1.00 31.52 H new ATOM 2044 N ASN B 50 9.185 7.949 5.802 1.00 74.05 N ATOM 2045 CA ASN B 50 9.192 9.365 5.344 1.00 63.11 C ATOM 2046 C ASN B 50 10.290 9.639 4.282 1.00 41.32 C ATOM 2047 O ASN B 50 10.884 10.723 4.234 1.00 52.43 O ATOM 2048 CB ASN B 50 9.309 10.339 6.553 1.00 11.32 C ATOM 2049 CG ASN B 50 8.073 10.300 7.451 1.00 74.31 C ATOM 2050 OD1 ASN B 50 7.151 11.082 7.279 1.00 53.34 O ATOM 2051 ND2 ASN B 50 8.029 9.370 8.382 1.00 22.42 N ATOM 0 H ASN B 50 8.297 7.477 5.631 1.00 74.05 H new ATOM 0 HA ASN B 50 8.236 9.548 4.853 1.00 63.11 H new ATOM 0 HB2 ASN B 50 10.190 10.081 7.140 1.00 11.32 H new ATOM 0 HB3 ASN B 50 9.457 11.355 6.186 1.00 11.32 H new ATOM 0 HD21 ASN B 50 7.209 9.289 8.983 1.00 22.42 H new ATOM 0 HD22 ASN B 50 8.815 8.731 8.502 1.00 22.42 H new ATOM 2058 N LYS B 51 10.542 8.637 3.425 1.00 12.35 N ATOM 2059 CA LYS B 51 11.532 8.740 2.324 1.00 62.04 C ATOM 2060 C LYS B 51 10.865 8.821 0.925 1.00 50.53 C ATOM 2061 O LYS B 51 11.561 8.904 -0.087 1.00 41.24 O ATOM 2062 CB LYS B 51 12.501 7.531 2.391 1.00 34.41 C ATOM 2063 CG LYS B 51 13.303 7.425 3.707 1.00 74.42 C ATOM 2064 CD LYS B 51 14.339 6.276 3.713 1.00 73.32 C ATOM 2065 CE LYS B 51 13.713 4.888 3.515 1.00 65.43 C ATOM 2066 NZ LYS B 51 14.693 3.804 3.755 1.00 42.13 N ATOM 0 H LYS B 51 10.071 7.733 3.469 1.00 12.35 H new ATOM 0 HA LYS B 51 12.083 9.670 2.460 1.00 62.04 H new ATOM 0 HB2 LYS B 51 11.928 6.614 2.255 1.00 34.41 H new ATOM 0 HB3 LYS B 51 13.201 7.596 1.558 1.00 34.41 H new ATOM 0 HG2 LYS B 51 13.819 8.369 3.885 1.00 74.42 H new ATOM 0 HG3 LYS B 51 12.609 7.281 4.535 1.00 74.42 H new ATOM 0 HD2 LYS B 51 15.070 6.452 2.924 1.00 73.32 H new ATOM 0 HD3 LYS B 51 14.881 6.290 4.659 1.00 73.32 H new ATOM 0 HE2 LYS B 51 12.868 4.770 4.193 1.00 65.43 H new ATOM 0 HE3 LYS B 51 13.322 4.807 2.501 1.00 65.43 H new ATOM 0 HZ1 LYS B 51 14.580 3.067 3.029 1.00 42.13 H new ATOM 0 HZ2 LYS B 51 15.657 4.191 3.709 1.00 42.13 H new ATOM 0 HZ3 LYS B 51 14.531 3.391 4.696 1.00 42.13 H new ATOM 2080 N VAL B 52 9.519 8.799 0.871 1.00 13.41 N ATOM 2081 CA VAL B 52 8.761 8.774 -0.409 1.00 30.03 C ATOM 2082 C VAL B 52 7.798 9.972 -0.553 1.00 52.42 C ATOM 2083 O VAL B 52 7.258 10.482 0.434 1.00 51.44 O ATOM 2084 CB VAL B 52 7.956 7.433 -0.567 1.00 52.05 C ATOM 2085 CG1 VAL B 52 8.915 6.242 -0.765 1.00 75.43 C ATOM 2086 CG2 VAL B 52 6.998 7.190 0.634 1.00 4.11 C ATOM 0 H VAL B 52 8.926 8.798 1.701 1.00 13.41 H new ATOM 0 HA VAL B 52 9.506 8.846 -1.202 1.00 30.03 H new ATOM 0 HB VAL B 52 7.335 7.524 -1.458 1.00 52.05 H new ATOM 0 HG11 VAL B 52 8.338 5.324 -0.872 1.00 75.43 H new ATOM 0 HG12 VAL B 52 9.513 6.402 -1.662 1.00 75.43 H new ATOM 0 HG13 VAL B 52 9.574 6.158 0.099 1.00 75.43 H new ATOM 0 HG21 VAL B 52 6.460 6.253 0.487 1.00 4.11 H new ATOM 0 HG22 VAL B 52 7.577 7.135 1.556 1.00 4.11 H new ATOM 0 HG23 VAL B 52 6.285 8.011 0.702 1.00 4.11 H new ATOM 2096 N VAL B 53 7.602 10.414 -1.811 1.00 52.42 N ATOM 2097 CA VAL B 53 6.629 11.464 -2.170 1.00 41.41 C ATOM 2098 C VAL B 53 5.555 10.881 -3.123 1.00 72.01 C ATOM 2099 O VAL B 53 5.846 10.558 -4.280 1.00 65.23 O ATOM 2100 CB VAL B 53 7.335 12.698 -2.854 1.00 53.14 C ATOM 2101 CG1 VAL B 53 6.317 13.824 -3.198 1.00 13.32 C ATOM 2102 CG2 VAL B 53 8.498 13.238 -1.984 1.00 54.32 C ATOM 0 H VAL B 53 8.118 10.050 -2.612 1.00 52.42 H new ATOM 0 HA VAL B 53 6.157 11.813 -1.251 1.00 41.41 H new ATOM 0 HB VAL B 53 7.761 12.346 -3.794 1.00 53.14 H new ATOM 0 HG11 VAL B 53 6.841 14.657 -3.668 1.00 13.32 H new ATOM 0 HG12 VAL B 53 5.563 13.436 -3.884 1.00 13.32 H new ATOM 0 HG13 VAL B 53 5.833 14.169 -2.284 1.00 13.32 H new ATOM 0 HG21 VAL B 53 8.963 14.088 -2.484 1.00 54.32 H new ATOM 0 HG22 VAL B 53 8.111 13.554 -1.015 1.00 54.32 H new ATOM 0 HG23 VAL B 53 9.239 12.452 -1.839 1.00 54.32 H new ATOM 2112 N ILE B 54 4.327 10.704 -2.605 1.00 13.00 N ATOM 2113 CA ILE B 54 3.155 10.307 -3.418 1.00 30.13 C ATOM 2114 C ILE B 54 2.460 11.587 -3.934 1.00 2.02 C ATOM 2115 O ILE B 54 1.923 12.375 -3.142 1.00 43.54 O ATOM 2116 CB ILE B 54 2.116 9.404 -2.615 1.00 34.31 C ATOM 2117 CG1 ILE B 54 2.716 7.990 -2.255 1.00 73.24 C ATOM 2118 CG2 ILE B 54 0.772 9.246 -3.395 1.00 53.20 C ATOM 2119 CD1 ILE B 54 3.820 7.983 -1.204 1.00 55.23 C ATOM 0 H ILE B 54 4.115 10.831 -1.615 1.00 13.00 H new ATOM 0 HA ILE B 54 3.513 9.696 -4.247 1.00 30.13 H new ATOM 0 HB ILE B 54 1.909 9.924 -1.680 1.00 34.31 H new ATOM 0 HG12 ILE B 54 1.905 7.351 -1.906 1.00 73.24 H new ATOM 0 HG13 ILE B 54 3.107 7.540 -3.167 1.00 73.24 H new ATOM 0 HG21 ILE B 54 0.087 8.624 -2.818 1.00 53.20 H new ATOM 0 HG22 ILE B 54 0.325 10.228 -3.553 1.00 53.20 H new ATOM 0 HG23 ILE B 54 0.964 8.776 -4.359 1.00 53.20 H new ATOM 0 HD11 ILE B 54 4.156 6.960 -1.037 1.00 55.23 H new ATOM 0 HD12 ILE B 54 4.657 8.588 -1.552 1.00 55.23 H new ATOM 0 HD13 ILE B 54 3.437 8.396 -0.271 1.00 55.23 H new ATOM 2131 N GLU B 55 2.513 11.812 -5.256 1.00 2.32 N ATOM 2132 CA GLU B 55 1.799 12.924 -5.906 1.00 21.02 C ATOM 2133 C GLU B 55 0.519 12.407 -6.603 1.00 24.51 C ATOM 2134 O GLU B 55 0.577 11.463 -7.408 1.00 70.03 O ATOM 2135 CB GLU B 55 2.689 13.642 -6.957 1.00 4.02 C ATOM 2136 CG GLU B 55 3.879 14.450 -6.411 1.00 45.30 C ATOM 2137 CD GLU B 55 4.492 15.358 -7.499 1.00 31.35 C ATOM 2138 OE1 GLU B 55 5.388 14.911 -8.242 1.00 4.03 O ATOM 2139 OE2 GLU B 55 4.030 16.510 -7.658 1.00 4.31 O ATOM 0 H GLU B 55 3.049 11.232 -5.902 1.00 2.32 H new ATOM 0 HA GLU B 55 1.537 13.638 -5.125 1.00 21.02 H new ATOM 0 HB2 GLU B 55 3.074 12.892 -7.648 1.00 4.02 H new ATOM 0 HB3 GLU B 55 2.057 14.315 -7.537 1.00 4.02 H new ATOM 0 HG2 GLU B 55 3.551 15.060 -5.569 1.00 45.30 H new ATOM 0 HG3 GLU B 55 4.641 13.768 -6.033 1.00 45.30 H new ATOM 2146 N ARG B 56 -0.632 13.021 -6.281 1.00 34.23 N ATOM 2147 CA ARG B 56 -1.886 12.817 -7.025 1.00 53.41 C ATOM 2148 C ARG B 56 -1.964 13.875 -8.145 1.00 20.11 C ATOM 2149 O ARG B 56 -2.352 15.026 -7.922 1.00 44.13 O ATOM 2150 CB ARG B 56 -3.099 12.887 -6.056 1.00 40.13 C ATOM 2151 CG ARG B 56 -3.046 11.823 -4.933 1.00 10.42 C ATOM 2152 CD ARG B 56 -4.225 11.902 -3.946 1.00 73.33 C ATOM 2153 NE ARG B 56 -4.079 10.903 -2.868 1.00 75.03 N ATOM 2154 CZ ARG B 56 -4.765 9.779 -2.739 1.00 72.01 C ATOM 2155 NH1 ARG B 56 -5.709 9.448 -3.574 1.00 41.20 N ATOM 2156 NH2 ARG B 56 -4.482 8.974 -1.765 1.00 11.54 N ATOM 0 H ARG B 56 -0.719 13.671 -5.500 1.00 34.23 H new ATOM 0 HA ARG B 56 -1.909 11.828 -7.483 1.00 53.41 H new ATOM 0 HB2 ARG B 56 -3.139 13.879 -5.606 1.00 40.13 H new ATOM 0 HB3 ARG B 56 -4.019 12.758 -6.626 1.00 40.13 H new ATOM 0 HG2 ARG B 56 -3.029 10.831 -5.385 1.00 10.42 H new ATOM 0 HG3 ARG B 56 -2.113 11.938 -4.380 1.00 10.42 H new ATOM 0 HD2 ARG B 56 -4.278 12.902 -3.516 1.00 73.33 H new ATOM 0 HD3 ARG B 56 -5.161 11.734 -4.478 1.00 73.33 H new ATOM 0 HE ARG B 56 -3.380 11.099 -2.152 1.00 75.03 H new ATOM 0 HH11 ARG B 56 -5.938 10.063 -4.355 1.00 41.20 H new ATOM 0 HH12 ARG B 56 -6.219 8.574 -3.447 1.00 41.20 H new ATOM 0 HH21 ARG B 56 -3.738 9.210 -1.108 1.00 11.54 H new ATOM 0 HH22 ARG B 56 -5.003 8.104 -1.654 1.00 11.54 H new ATOM 2170 N LYS B 57 -1.543 13.465 -9.346 1.00 1.42 N ATOM 2171 CA LYS B 57 -1.321 14.348 -10.512 1.00 1.50 C ATOM 2172 C LYS B 57 -2.474 14.161 -11.511 1.00 71.54 C ATOM 2173 O LYS B 57 -2.566 13.117 -12.160 1.00 60.23 O ATOM 2174 CB LYS B 57 0.044 13.987 -11.167 1.00 45.53 C ATOM 2175 CG LYS B 57 1.201 13.831 -10.159 1.00 63.24 C ATOM 2176 CD LYS B 57 2.524 13.359 -10.801 1.00 53.05 C ATOM 2177 CE LYS B 57 3.240 14.463 -11.592 1.00 0.33 C ATOM 2178 NZ LYS B 57 3.819 15.495 -10.692 1.00 71.32 N ATOM 0 H LYS B 57 -1.340 12.486 -9.547 1.00 1.42 H new ATOM 0 HA LYS B 57 -1.295 15.393 -10.201 1.00 1.50 H new ATOM 0 HB2 LYS B 57 -0.067 13.057 -11.724 1.00 45.53 H new ATOM 0 HB3 LYS B 57 0.306 14.761 -11.888 1.00 45.53 H new ATOM 0 HG2 LYS B 57 1.369 14.786 -9.662 1.00 63.24 H new ATOM 0 HG3 LYS B 57 0.907 13.118 -9.389 1.00 63.24 H new ATOM 0 HD2 LYS B 57 3.189 12.992 -10.019 1.00 53.05 H new ATOM 0 HD3 LYS B 57 2.319 12.520 -11.465 1.00 53.05 H new ATOM 0 HE2 LYS B 57 4.032 14.022 -12.197 1.00 0.33 H new ATOM 0 HE3 LYS B 57 2.537 14.933 -12.280 1.00 0.33 H new ATOM 0 HZ1 LYS B 57 4.380 16.168 -11.252 1.00 71.32 H new ATOM 0 HZ2 LYS B 57 3.052 16.003 -10.207 1.00 71.32 H new ATOM 0 HZ3 LYS B 57 4.431 15.037 -9.987 1.00 71.32 H new ATOM 2192 N ASN B 58 -3.341 15.186 -11.628 1.00 32.25 N ATOM 2193 CA ASN B 58 -4.683 15.089 -12.268 1.00 75.11 C ATOM 2194 C ASN B 58 -5.536 13.958 -11.611 1.00 4.44 C ATOM 2195 O ASN B 58 -6.440 13.388 -12.236 1.00 1.42 O ATOM 2196 CB ASN B 58 -4.552 14.873 -13.806 1.00 52.24 C ATOM 2197 CG ASN B 58 -3.592 15.869 -14.468 1.00 23.03 C ATOM 2198 OD1 ASN B 58 -3.981 16.957 -14.871 1.00 24.32 O ATOM 2199 ND2 ASN B 58 -2.330 15.497 -14.579 1.00 72.55 N ATOM 0 H ASN B 58 -3.133 16.121 -11.278 1.00 32.25 H new ATOM 0 HA ASN B 58 -5.202 16.034 -12.106 1.00 75.11 H new ATOM 0 HB2 ASN B 58 -4.203 13.858 -13.997 1.00 52.24 H new ATOM 0 HB3 ASN B 58 -5.536 14.964 -14.266 1.00 52.24 H new ATOM 0 HD21 ASN B 58 -1.650 16.123 -15.010 1.00 72.55 H new ATOM 0 HD22 ASN B 58 -2.035 14.584 -14.234 1.00 72.55 H new ATOM 2206 N GLY B 59 -5.265 13.706 -10.313 1.00 44.15 N ATOM 2207 CA GLY B 59 -5.871 12.589 -9.569 1.00 41.31 C ATOM 2208 C GLY B 59 -5.067 11.266 -9.625 1.00 52.32 C ATOM 2209 O GLY B 59 -5.244 10.397 -8.762 1.00 64.23 O ATOM 0 H GLY B 59 -4.623 14.270 -9.756 1.00 44.15 H new ATOM 0 HA2 GLY B 59 -5.987 12.885 -8.526 1.00 41.31 H new ATOM 0 HA3 GLY B 59 -6.871 12.408 -9.962 1.00 41.31 H new ATOM 2213 N LEU B 60 -4.182 11.108 -10.634 1.00 50.02 N ATOM 2214 CA LEU B 60 -3.433 9.840 -10.875 1.00 34.54 C ATOM 2215 C LEU B 60 -2.190 9.722 -9.958 1.00 42.12 C ATOM 2216 O LEU B 60 -1.363 10.629 -9.891 1.00 5.34 O ATOM 2217 CB LEU B 60 -3.005 9.710 -12.371 1.00 52.21 C ATOM 2218 CG LEU B 60 -4.152 9.565 -13.429 1.00 52.14 C ATOM 2219 CD1 LEU B 60 -5.161 8.476 -13.022 1.00 44.32 C ATOM 2220 CD2 LEU B 60 -4.850 10.910 -13.718 1.00 32.43 C ATOM 0 H LEU B 60 -3.963 11.846 -11.303 1.00 50.02 H new ATOM 0 HA LEU B 60 -4.113 9.023 -10.633 1.00 34.54 H new ATOM 0 HB2 LEU B 60 -2.413 10.587 -12.631 1.00 52.21 H new ATOM 0 HB3 LEU B 60 -2.349 8.844 -12.462 1.00 52.21 H new ATOM 0 HG LEU B 60 -3.686 9.246 -14.361 1.00 52.14 H new ATOM 0 HD11 LEU B 60 -5.942 8.403 -13.778 1.00 44.32 H new ATOM 0 HD12 LEU B 60 -4.648 7.518 -12.937 1.00 44.32 H new ATOM 0 HD13 LEU B 60 -5.608 8.735 -12.062 1.00 44.32 H new ATOM 0 HD21 LEU B 60 -5.637 10.760 -14.457 1.00 32.43 H new ATOM 0 HD22 LEU B 60 -5.285 11.299 -12.798 1.00 32.43 H new ATOM 0 HD23 LEU B 60 -4.121 11.623 -14.104 1.00 32.43 H new ATOM 2232 N ILE B 61 -2.054 8.568 -9.288 1.00 14.30 N ATOM 2233 CA ILE B 61 -1.014 8.338 -8.266 1.00 72.12 C ATOM 2234 C ILE B 61 0.331 7.903 -8.910 1.00 43.45 C ATOM 2235 O ILE B 61 0.427 6.832 -9.518 1.00 11.44 O ATOM 2236 CB ILE B 61 -1.510 7.264 -7.219 1.00 25.25 C ATOM 2237 CG1 ILE B 61 -2.829 7.763 -6.532 1.00 45.51 C ATOM 2238 CG2 ILE B 61 -0.409 6.915 -6.178 1.00 63.21 C ATOM 2239 CD1 ILE B 61 -3.456 6.789 -5.545 1.00 63.12 C ATOM 0 H ILE B 61 -2.663 7.763 -9.438 1.00 14.30 H new ATOM 0 HA ILE B 61 -0.835 9.279 -7.746 1.00 72.12 H new ATOM 0 HB ILE B 61 -1.727 6.338 -7.751 1.00 25.25 H new ATOM 0 HG12 ILE B 61 -2.617 8.697 -6.011 1.00 45.51 H new ATOM 0 HG13 ILE B 61 -3.560 7.990 -7.308 1.00 45.51 H new ATOM 0 HG21 ILE B 61 -0.793 6.173 -5.478 1.00 63.21 H new ATOM 0 HG22 ILE B 61 0.463 6.512 -6.692 1.00 63.21 H new ATOM 0 HG23 ILE B 61 -0.125 7.815 -5.633 1.00 63.21 H new ATOM 0 HD11 ILE B 61 -4.361 7.228 -5.126 1.00 63.12 H new ATOM 0 HD12 ILE B 61 -3.707 5.861 -6.059 1.00 63.12 H new ATOM 0 HD13 ILE B 61 -2.749 6.579 -4.742 1.00 63.12 H new ATOM 2251 N GLU B 62 1.358 8.759 -8.765 1.00 22.43 N ATOM 2252 CA GLU B 62 2.757 8.448 -9.145 1.00 0.02 C ATOM 2253 C GLU B 62 3.636 8.460 -7.883 1.00 45.14 C ATOM 2254 O GLU B 62 3.437 9.291 -6.984 1.00 73.43 O ATOM 2255 CB GLU B 62 3.319 9.455 -10.191 1.00 14.50 C ATOM 2256 CG GLU B 62 2.772 9.276 -11.619 1.00 3.31 C ATOM 2257 CD GLU B 62 3.461 10.189 -12.654 1.00 35.41 C ATOM 2258 OE1 GLU B 62 4.692 10.049 -12.863 1.00 74.25 O ATOM 2259 OE2 GLU B 62 2.782 11.042 -13.275 1.00 54.30 O ATOM 0 H GLU B 62 1.244 9.696 -8.378 1.00 22.43 H new ATOM 0 HA GLU B 62 2.770 7.461 -9.607 1.00 0.02 H new ATOM 0 HB2 GLU B 62 3.095 10.468 -9.856 1.00 14.50 H new ATOM 0 HB3 GLU B 62 4.405 9.361 -10.218 1.00 14.50 H new ATOM 0 HG2 GLU B 62 2.897 8.236 -11.921 1.00 3.31 H new ATOM 0 HG3 GLU B 62 1.701 9.481 -11.619 1.00 3.31 H new ATOM 2266 N ILE B 63 4.615 7.544 -7.827 1.00 33.22 N ATOM 2267 CA ILE B 63 5.513 7.389 -6.664 1.00 10.04 C ATOM 2268 C ILE B 63 6.935 7.933 -6.990 1.00 33.31 C ATOM 2269 O ILE B 63 7.537 7.601 -8.022 1.00 33.40 O ATOM 2270 CB ILE B 63 5.557 5.884 -6.172 1.00 72.14 C ATOM 2271 CG1 ILE B 63 6.522 5.700 -4.948 1.00 5.12 C ATOM 2272 CG2 ILE B 63 5.914 4.915 -7.323 1.00 62.35 C ATOM 2273 CD1 ILE B 63 6.177 6.538 -3.728 1.00 42.01 C ATOM 0 H ILE B 63 4.809 6.889 -8.584 1.00 33.22 H new ATOM 0 HA ILE B 63 5.114 7.983 -5.842 1.00 10.04 H new ATOM 0 HB ILE B 63 4.552 5.631 -5.834 1.00 72.14 H new ATOM 0 HG12 ILE B 63 6.523 4.649 -4.660 1.00 5.12 H new ATOM 0 HG13 ILE B 63 7.536 5.945 -5.264 1.00 5.12 H new ATOM 0 HG21 ILE B 63 5.934 3.893 -6.945 1.00 62.35 H new ATOM 0 HG22 ILE B 63 5.166 4.996 -8.112 1.00 62.35 H new ATOM 0 HG23 ILE B 63 6.894 5.173 -7.725 1.00 62.35 H new ATOM 0 HD11 ILE B 63 6.900 6.342 -2.936 1.00 42.01 H new ATOM 0 HD12 ILE B 63 6.206 7.595 -3.993 1.00 42.01 H new ATOM 0 HD13 ILE B 63 5.177 6.279 -3.379 1.00 42.01 H new ATOM 2285 N TYR B 64 7.427 8.812 -6.100 1.00 1.44 N ATOM 2286 CA TYR B 64 8.764 9.431 -6.182 1.00 54.22 C ATOM 2287 C TYR B 64 9.531 9.211 -4.857 1.00 2.42 C ATOM 2288 O TYR B 64 8.977 8.726 -3.863 1.00 44.05 O ATOM 2289 CB TYR B 64 8.629 10.958 -6.455 1.00 71.03 C ATOM 2290 CG TYR B 64 7.878 11.341 -7.746 1.00 23.24 C ATOM 2291 CD1 TYR B 64 6.478 11.446 -7.772 1.00 15.00 C ATOM 2292 CD2 TYR B 64 8.566 11.612 -8.931 1.00 54.22 C ATOM 2293 CE1 TYR B 64 5.807 11.797 -8.927 1.00 70.45 C ATOM 2294 CE2 TYR B 64 7.894 11.967 -10.084 1.00 54.34 C ATOM 2295 CZ TYR B 64 6.519 12.057 -10.081 1.00 0.41 C ATOM 2296 OH TYR B 64 5.854 12.415 -11.236 1.00 61.34 O ATOM 0 H TYR B 64 6.896 9.119 -5.285 1.00 1.44 H new ATOM 0 HA TYR B 64 9.315 8.966 -6.999 1.00 54.22 H new ATOM 0 HB2 TYR B 64 8.117 11.416 -5.609 1.00 71.03 H new ATOM 0 HB3 TYR B 64 9.628 11.391 -6.495 1.00 71.03 H new ATOM 0 HD1 TYR B 64 5.915 11.249 -6.872 1.00 15.00 H new ATOM 0 HD2 TYR B 64 9.644 11.543 -8.946 1.00 54.22 H new ATOM 0 HE1 TYR B 64 4.729 11.868 -8.927 1.00 70.45 H new ATOM 0 HE2 TYR B 64 8.446 12.174 -10.989 1.00 54.34 H new ATOM 0 HH TYR B 64 5.536 11.609 -11.694 1.00 61.34 H new ATOM 2306 N ASN B 65 10.812 9.569 -4.871 1.00 65.11 N ATOM 2307 CA ASN B 65 11.675 9.626 -3.677 1.00 40.13 C ATOM 2308 C ASN B 65 11.792 11.101 -3.212 1.00 55.33 C ATOM 2309 O ASN B 65 11.662 12.029 -4.024 1.00 5.42 O ATOM 2310 CB ASN B 65 13.049 9.000 -4.041 1.00 45.15 C ATOM 2311 CG ASN B 65 14.095 8.972 -2.929 1.00 71.04 C ATOM 2312 OD1 ASN B 65 13.803 9.137 -1.753 1.00 63.12 O ATOM 2313 ND2 ASN B 65 15.330 8.712 -3.294 1.00 72.14 N ATOM 0 H ASN B 65 11.297 9.835 -5.728 1.00 65.11 H new ATOM 0 HA ASN B 65 11.257 9.058 -2.846 1.00 40.13 H new ATOM 0 HB2 ASN B 65 12.881 7.977 -4.378 1.00 45.15 H new ATOM 0 HB3 ASN B 65 13.463 9.550 -4.886 1.00 45.15 H new ATOM 0 HD21 ASN B 65 16.066 8.644 -2.591 1.00 72.14 H new ATOM 0 HD22 ASN B 65 15.553 8.578 -4.280 1.00 72.14 H new ATOM 2320 N GLU B 66 12.025 11.303 -1.905 1.00 51.40 N ATOM 2321 CA GLU B 66 12.115 12.648 -1.279 1.00 51.12 C ATOM 2322 C GLU B 66 13.277 13.501 -1.863 1.00 12.04 C ATOM 2323 O GLU B 66 13.106 14.698 -2.142 1.00 43.03 O ATOM 2324 CB GLU B 66 12.255 12.499 0.263 1.00 15.43 C ATOM 2325 CG GLU B 66 12.276 13.826 1.060 1.00 13.25 C ATOM 2326 CD GLU B 66 11.037 14.706 0.817 1.00 72.12 C ATOM 2327 OE1 GLU B 66 9.909 14.268 1.149 1.00 11.13 O ATOM 2328 OE2 GLU B 66 11.182 15.840 0.304 1.00 5.33 O ATOM 0 H GLU B 66 12.158 10.539 -1.243 1.00 51.40 H new ATOM 0 HA GLU B 66 11.194 13.184 -1.510 1.00 51.12 H new ATOM 0 HB2 GLU B 66 11.429 11.889 0.628 1.00 15.43 H new ATOM 0 HB3 GLU B 66 13.174 11.952 0.476 1.00 15.43 H new ATOM 0 HG2 GLU B 66 12.349 13.601 2.124 1.00 13.25 H new ATOM 0 HG3 GLU B 66 13.170 14.388 0.791 1.00 13.25 H new