USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 854 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 86 TYR OH : rot -159:sc= -0.509! USER MOD Set 1.2: A 124 SER OG : rot -107:sc= 2.28 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.281 K(o=0.28,f=-9!) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 46 SER OG : rot -163:sc= 1.56 USER MOD Set 3.2: A 50 GLN : amide:sc= 2.07 K(o=3.4,f=-0.19) USER MOD Set 3.3: A 66 MET CE :methyl -133:sc= -0.214 (180deg=-0.745) USER MOD Set 4.1: A 36 GLN : amide:sc= 1.64 K(o=2.6,f=-1.7) USER MOD Set 4.2: A 81 SER OG : rot -19:sc= 1 USER MOD Set 5.1: A 16 MET CE :methyl 172:sc= -4.76! (180deg=-4.86!) USER MOD Set 5.2: A 19 THR OG1 : rot 79:sc= 1.27 USER MOD Set 5.3: A 48 ASN : amide:sc= -1.7! K(o=-5.2!,f=-3.7) USER MOD Set 6.1: A 13 ASN : amide:sc= -0.143 K(o=1.1,f=0.27) USER MOD Set 6.2: A 17 THR OG1 : rot 149:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00261 USER MOD Single : A 11 ASN : amide:sc= -0.0344 K(o=-0.034,f=-0.79) USER MOD Single : A 18 MET CE :methyl 180:sc= -0.0507 (180deg=-0.0507) USER MOD Single : A 20 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.3) USER MOD Single : A 21 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -0.0233 K(o=-0.023,f=-3.7!) USER MOD Single : A 27 SER OG : rot 47:sc= 1.42 USER MOD Single : A 29 SER OG : rot -102:sc= 1.56 USER MOD Single : A 33 THR OG1 : rot 126:sc= 1.02 USER MOD Single : A 37 MET CE :methyl 172:sc= -1.04 (180deg=-1.16) USER MOD Single : A 40 MET CE :methyl -140:sc= -0.172 (180deg=-0.974) USER MOD Single : A 42 MET CE :methyl 159:sc= -1.33 (180deg=-1.77!) USER MOD Single : A 43 MET CE :methyl -137:sc= -0.395 (180deg=-1.99) USER MOD Single : A 49 SER OG : rot 180:sc= -0.511 USER MOD Single : A 51 MET CE :methyl -171:sc= -0.987 (180deg=-1.26) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc=-0.00446 (180deg=-0.202) USER MOD Single : A 54 MET CE :methyl 158:sc= -0.231 (180deg=-0.383) USER MOD Single : A 57 ASN : amide:sc= -0.735 K(o=-0.73,f=-0.22) USER MOD Single : A 60 GLN : amide:sc= 0.957 K(o=0.96,f=-6.8!) USER MOD Single : A 61 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.007) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.987 K(o=-0.99,f=-7.4e-05) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.4!) USER MOD Single : A 92 THR OG1 : rot 64:sc= 1.33 USER MOD Single : A 100 SER OG : rot 73:sc= 1.25 USER MOD Single : A 101 MET CE :methyl 165:sc= -0.276 (180deg=-0.815) USER MOD Single : A 102 MET CE :methyl -157:sc= -0.33 (180deg=-1.23) USER MOD Single : A 103 GLN : amide:sc= -0.3 K(o=-0.3,f=-1) USER MOD Single : A 105 THR OG1 : rot -32:sc= 0.0853 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl -161:sc= -1.58 (180deg=-2.51!) USER MOD Single : A 118 GLN : amide:sc=-0.00207 K(o=-0.0021,f=-0.89) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 149:sc= -0.827 (180deg=-2.1) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 9.445 8.579 -3.238 1.00 0.00 N ATOM 82 CA ILE A 8 8.910 9.737 -2.535 1.00 0.00 C ATOM 83 C ILE A 8 8.326 10.788 -3.488 1.00 0.00 C ATOM 84 O ILE A 8 7.416 11.528 -3.114 1.00 0.00 O ATOM 85 CB ILE A 8 10.008 10.366 -1.649 1.00 0.00 C ATOM 86 CG1 ILE A 8 9.436 11.486 -0.780 1.00 0.00 C ATOM 87 CG2 ILE A 8 11.164 10.874 -2.500 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.531 10.998 0.327 1.00 0.00 C ATOM 0 HA ILE A 8 8.088 9.387 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 8 10.391 9.591 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.260 12.049 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.879 12.176 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.925 11.313 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.596 10.044 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.799 11.629 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.165 11.850 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.686 10.460 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.088 10.331 0.985 1.00 0.00 H new ATOM 100 N TRP A 9 8.823 10.844 -4.725 1.00 0.00 N ATOM 101 CA TRP A 9 8.316 11.805 -5.712 1.00 0.00 C ATOM 102 C TRP A 9 6.976 11.345 -6.283 1.00 0.00 C ATOM 103 O TRP A 9 6.640 11.652 -7.422 1.00 0.00 O ATOM 104 CB TRP A 9 9.314 11.982 -6.861 1.00 0.00 C ATOM 105 CG TRP A 9 10.650 12.520 -6.447 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.811 11.818 -6.335 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.967 13.874 -6.098 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.829 12.649 -5.939 1.00 0.00 N ATOM 109 CE2 TRP A 9 12.337 13.915 -5.785 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.225 15.056 -6.025 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.980 15.088 -5.401 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.863 16.220 -5.639 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.229 16.229 -5.333 1.00 0.00 C ATOM 0 H TRP A 9 9.571 10.241 -5.068 1.00 0.00 H new ATOM 0 HA TRP A 9 8.180 12.758 -5.200 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.460 11.019 -7.350 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.880 12.653 -7.602 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.916 10.761 -6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.797 12.367 -5.784 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.172 15.060 -6.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 14.034 15.097 -5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.298 17.138 -5.572 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.699 17.155 -5.037 1.00 0.00 H new ATOM 124 N THR A 10 6.215 10.626 -5.478 1.00 0.00 N ATOM 125 CA THR A 10 4.967 10.037 -5.922 1.00 0.00 C ATOM 126 C THR A 10 3.839 11.068 -5.934 1.00 0.00 C ATOM 127 O THR A 10 3.054 11.133 -6.881 1.00 0.00 O ATOM 128 CB THR A 10 4.585 8.864 -5.004 1.00 0.00 C ATOM 129 OG1 THR A 10 5.774 8.171 -4.592 1.00 0.00 O ATOM 130 CG2 THR A 10 3.662 7.893 -5.723 1.00 0.00 C ATOM 0 H THR A 10 6.444 10.435 -4.503 1.00 0.00 H new ATOM 0 HA THR A 10 5.110 9.675 -6.940 1.00 0.00 H new ATOM 0 HB THR A 10 4.064 9.262 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.531 7.424 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.405 7.072 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.753 8.412 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.165 7.498 -6.605 1.00 0.00 H new ATOM 138 N ASN A 11 3.767 11.881 -4.886 1.00 0.00 N ATOM 139 CA ASN A 11 2.722 12.874 -4.764 1.00 0.00 C ATOM 140 C ASN A 11 3.242 14.106 -4.024 1.00 0.00 C ATOM 141 O ASN A 11 4.180 14.009 -3.226 1.00 0.00 O ATOM 142 CB ASN A 11 1.503 12.275 -4.049 1.00 0.00 C ATOM 143 CG ASN A 11 1.778 11.860 -2.614 1.00 0.00 C ATOM 144 OD1 ASN A 11 2.289 10.772 -2.360 1.00 0.00 O ATOM 145 ND2 ASN A 11 1.392 12.700 -1.665 1.00 0.00 N ATOM 0 H ASN A 11 4.427 11.866 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 11 2.413 13.186 -5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.693 13.005 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.156 11.407 -4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.515 12.452 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.971 13.595 -1.916 1.00 0.00 H new ATOM 152 N PRO A 12 2.649 15.280 -4.306 1.00 0.00 N ATOM 153 CA PRO A 12 3.017 16.555 -3.679 1.00 0.00 C ATOM 154 C PRO A 12 3.201 16.463 -2.164 1.00 0.00 C ATOM 155 O PRO A 12 4.247 16.846 -1.638 1.00 0.00 O ATOM 156 CB PRO A 12 1.829 17.456 -4.007 1.00 0.00 C ATOM 157 CG PRO A 12 1.302 16.933 -5.296 1.00 0.00 C ATOM 158 CD PRO A 12 1.576 15.452 -5.302 1.00 0.00 C ATOM 0 HA PRO A 12 3.978 16.913 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.072 17.414 -3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.136 18.498 -4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.234 17.130 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.789 17.421 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.687 14.881 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.889 15.109 -6.288 1.00 0.00 H new ATOM 166 N ASN A 13 2.195 15.929 -1.471 1.00 0.00 N ATOM 167 CA ASN A 13 2.206 15.878 -0.003 1.00 0.00 C ATOM 168 C ASN A 13 3.179 14.804 0.511 1.00 0.00 C ATOM 169 O ASN A 13 3.236 14.504 1.703 1.00 0.00 O ATOM 170 CB ASN A 13 0.790 15.614 0.529 1.00 0.00 C ATOM 171 CG ASN A 13 0.573 16.152 1.937 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.507 16.279 2.725 1.00 0.00 O ATOM 173 ND2 ASN A 13 -0.670 16.471 2.263 1.00 0.00 N ATOM 0 H ASN A 13 1.362 15.525 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 13 2.549 16.845 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.064 16.070 -0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.600 14.541 0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.876 16.835 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.422 16.353 1.584 1.00 0.00 H new ATOM 180 N ALA A 14 3.938 14.219 -0.398 1.00 0.00 N ATOM 181 CA ALA A 14 4.992 13.296 -0.023 1.00 0.00 C ATOM 182 C ALA A 14 6.353 13.925 -0.286 1.00 0.00 C ATOM 183 O ALA A 14 7.174 14.074 0.622 1.00 0.00 O ATOM 184 CB ALA A 14 4.854 11.994 -0.795 1.00 0.00 C ATOM 0 H ALA A 14 3.843 14.368 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 14 4.905 13.077 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.652 11.311 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.888 11.540 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.922 12.196 -1.864 1.00 0.00 H new ATOM 190 N ALA A 15 6.560 14.325 -1.532 1.00 0.00 N ATOM 191 CA ALA A 15 7.836 14.869 -1.976 1.00 0.00 C ATOM 192 C ALA A 15 8.146 16.203 -1.320 1.00 0.00 C ATOM 193 O ALA A 15 9.261 16.427 -0.854 1.00 0.00 O ATOM 194 CB ALA A 15 7.837 15.012 -3.486 1.00 0.00 C ATOM 0 H ALA A 15 5.850 14.282 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 15 8.617 14.171 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.794 15.419 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.683 14.035 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.034 15.685 -3.788 1.00 0.00 H new ATOM 200 N MET A 16 7.167 17.093 -1.284 1.00 0.00 N ATOM 201 CA MET A 16 7.370 18.396 -0.683 1.00 0.00 C ATOM 202 C MET A 16 7.620 18.258 0.806 1.00 0.00 C ATOM 203 O MET A 16 8.534 18.878 1.346 1.00 0.00 O ATOM 204 CB MET A 16 6.159 19.286 -0.932 1.00 0.00 C ATOM 205 CG MET A 16 6.460 20.531 -1.745 1.00 0.00 C ATOM 206 SD MET A 16 7.586 21.683 -0.923 1.00 0.00 S ATOM 207 CE MET A 16 9.164 21.208 -1.628 1.00 0.00 C ATOM 0 H MET A 16 6.232 16.937 -1.661 1.00 0.00 H new ATOM 0 HA MET A 16 8.245 18.857 -1.142 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.395 18.705 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.738 19.585 0.028 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.892 20.234 -2.701 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.525 21.046 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.929 21.923 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.436 20.213 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.089 21.199 -2.715 1.00 0.00 H new ATOM 217 N THR A 17 6.827 17.407 1.446 1.00 0.00 N ATOM 218 CA THR A 17 6.903 17.193 2.884 1.00 0.00 C ATOM 219 C THR A 17 8.323 16.850 3.339 1.00 0.00 C ATOM 220 O THR A 17 8.840 17.453 4.279 1.00 0.00 O ATOM 221 CB THR A 17 5.933 16.077 3.310 1.00 0.00 C ATOM 222 OG1 THR A 17 4.596 16.450 2.959 1.00 0.00 O ATOM 223 CG2 THR A 17 6.017 15.812 4.808 1.00 0.00 C ATOM 0 H THR A 17 6.113 16.846 0.981 1.00 0.00 H new ATOM 0 HA THR A 17 6.617 18.128 3.366 1.00 0.00 H new ATOM 0 HB THR A 17 6.213 15.161 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.074 15.645 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.320 15.019 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.031 15.507 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.761 16.720 5.353 1.00 0.00 H new ATOM 231 N MET A 18 8.964 15.899 2.666 1.00 0.00 N ATOM 232 CA MET A 18 10.322 15.516 3.034 1.00 0.00 C ATOM 233 C MET A 18 11.282 16.682 2.811 1.00 0.00 C ATOM 234 O MET A 18 12.232 16.870 3.567 1.00 0.00 O ATOM 235 CB MET A 18 10.805 14.300 2.235 1.00 0.00 C ATOM 236 CG MET A 18 11.037 14.599 0.767 1.00 0.00 C ATOM 237 SD MET A 18 12.096 13.395 -0.046 1.00 0.00 S ATOM 238 CE MET A 18 12.151 14.099 -1.689 1.00 0.00 C ATOM 0 H MET A 18 8.572 15.387 1.876 1.00 0.00 H new ATOM 0 HA MET A 18 10.308 15.248 4.090 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.732 13.931 2.674 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.069 13.501 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.076 14.632 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.484 15.589 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.771 13.474 -2.332 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.141 14.150 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.574 15.102 -1.641 1.00 0.00 H new ATOM 248 N THR A 19 11.009 17.468 1.774 1.00 0.00 N ATOM 249 CA THR A 19 11.869 18.576 1.400 1.00 0.00 C ATOM 250 C THR A 19 11.953 19.632 2.508 1.00 0.00 C ATOM 251 O THR A 19 13.047 19.986 2.949 1.00 0.00 O ATOM 252 CB THR A 19 11.371 19.234 0.100 1.00 0.00 C ATOM 253 OG1 THR A 19 11.249 18.249 -0.938 1.00 0.00 O ATOM 254 CG2 THR A 19 12.319 20.325 -0.355 1.00 0.00 C ATOM 0 H THR A 19 10.191 17.353 1.176 1.00 0.00 H new ATOM 0 HA THR A 19 12.867 18.167 1.242 1.00 0.00 H new ATOM 0 HB THR A 19 10.396 19.678 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.419 17.743 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.943 20.773 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.391 21.090 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.305 19.898 -0.536 1.00 0.00 H new ATOM 262 N ASN A 20 10.807 20.125 2.973 1.00 0.00 N ATOM 263 CA ASN A 20 10.809 21.166 3.994 1.00 0.00 C ATOM 264 C ASN A 20 11.165 20.606 5.368 1.00 0.00 C ATOM 265 O ASN A 20 11.681 21.332 6.217 1.00 0.00 O ATOM 266 CB ASN A 20 9.479 21.926 4.050 1.00 0.00 C ATOM 267 CG ASN A 20 8.260 21.038 3.969 1.00 0.00 C ATOM 268 OD1 ASN A 20 7.848 20.433 4.954 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.646 20.998 2.802 1.00 0.00 N ATOM 0 H ASN A 20 9.882 19.826 2.665 1.00 0.00 H new ATOM 0 HA ASN A 20 11.582 21.878 3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.438 22.498 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.448 22.644 3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.794 20.448 2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.024 21.517 2.009 1.00 0.00 H new ATOM 276 N ASN A 21 10.910 19.319 5.589 1.00 0.00 N ATOM 277 CA ASN A 21 11.341 18.667 6.825 1.00 0.00 C ATOM 278 C ASN A 21 12.862 18.599 6.878 1.00 0.00 C ATOM 279 O ASN A 21 13.468 18.705 7.943 1.00 0.00 O ATOM 280 CB ASN A 21 10.752 17.261 6.948 1.00 0.00 C ATOM 281 CG ASN A 21 9.358 17.249 7.546 1.00 0.00 C ATOM 282 OD1 ASN A 21 9.005 18.100 8.363 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.560 16.267 7.154 1.00 0.00 N ATOM 0 H ASN A 21 10.413 18.712 4.937 1.00 0.00 H new ATOM 0 HA ASN A 21 10.976 19.261 7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.721 16.799 5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.411 16.650 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.615 16.196 7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.891 15.582 6.475 1.00 0.00 H new ATOM 290 N LEU A 22 13.477 18.436 5.714 1.00 0.00 N ATOM 291 CA LEU A 22 14.926 18.455 5.605 1.00 0.00 C ATOM 292 C LEU A 22 15.447 19.841 5.963 1.00 0.00 C ATOM 293 O LEU A 22 16.475 19.984 6.626 1.00 0.00 O ATOM 294 CB LEU A 22 15.359 18.074 4.182 1.00 0.00 C ATOM 295 CG LEU A 22 16.866 18.132 3.912 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.612 17.147 4.796 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.152 17.852 2.444 1.00 0.00 C ATOM 0 H LEU A 22 12.991 18.289 4.830 1.00 0.00 H new ATOM 0 HA LEU A 22 15.345 17.726 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.009 17.063 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.856 18.737 3.478 1.00 0.00 H new ATOM 0 HG LEU A 22 17.217 19.136 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.680 17.206 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.434 17.391 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.258 16.136 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.227 17.897 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.783 16.860 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.652 18.598 1.827 1.00 0.00 H new ATOM 309 N VAL A 23 14.712 20.858 5.531 1.00 0.00 N ATOM 310 CA VAL A 23 15.064 22.241 5.817 1.00 0.00 C ATOM 311 C VAL A 23 14.922 22.542 7.304 1.00 0.00 C ATOM 312 O VAL A 23 15.824 23.115 7.911 1.00 0.00 O ATOM 313 CB VAL A 23 14.191 23.230 5.013 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.553 24.672 5.344 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.336 22.974 3.524 1.00 0.00 C ATOM 0 H VAL A 23 13.862 20.748 4.977 1.00 0.00 H new ATOM 0 HA VAL A 23 16.104 22.371 5.518 1.00 0.00 H new ATOM 0 HB VAL A 23 13.150 23.070 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.924 25.347 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.395 24.852 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.600 24.850 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.715 23.679 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.378 23.103 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 23 14.019 21.956 3.297 1.00 0.00 H new ATOM 325 N GLN A 24 13.801 22.137 7.895 1.00 0.00 N ATOM 326 CA GLN A 24 13.547 22.421 9.303 1.00 0.00 C ATOM 327 C GLN A 24 14.549 21.680 10.184 1.00 0.00 C ATOM 328 O GLN A 24 14.979 22.190 11.216 1.00 0.00 O ATOM 329 CB GLN A 24 12.091 22.080 9.689 1.00 0.00 C ATOM 330 CG GLN A 24 11.745 20.598 9.691 1.00 0.00 C ATOM 331 CD GLN A 24 11.802 19.973 11.074 1.00 0.00 C ATOM 332 OE1 GLN A 24 12.836 19.467 11.504 1.00 0.00 O ATOM 333 NE2 GLN A 24 10.685 20.004 11.781 1.00 0.00 N ATOM 0 H GLN A 24 13.061 21.616 7.425 1.00 0.00 H new ATOM 0 HA GLN A 24 13.680 23.490 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.893 22.483 10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.421 22.591 8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.744 20.464 9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.434 20.070 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.846 20.433 11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.662 19.599 12.717 1.00 0.00 H new ATOM 342 N CYS A 25 14.944 20.490 9.747 1.00 0.00 N ATOM 343 CA CYS A 25 15.916 19.694 10.480 1.00 0.00 C ATOM 344 C CYS A 25 17.308 20.309 10.356 1.00 0.00 C ATOM 345 O CYS A 25 18.048 20.391 11.334 1.00 0.00 O ATOM 346 CB CYS A 25 15.916 18.250 9.966 1.00 0.00 C ATOM 347 SG CYS A 25 16.957 17.106 10.931 1.00 0.00 S ATOM 0 H CYS A 25 14.605 20.057 8.888 1.00 0.00 H new ATOM 0 HA CYS A 25 15.637 19.685 11.534 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.892 17.877 9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.257 18.246 8.931 1.00 0.00 H new ATOM 352 N ALA A 26 17.654 20.763 9.152 1.00 0.00 N ATOM 353 CA ALA A 26 18.938 21.413 8.926 1.00 0.00 C ATOM 354 C ALA A 26 18.991 22.767 9.626 1.00 0.00 C ATOM 355 O ALA A 26 20.050 23.212 10.064 1.00 0.00 O ATOM 356 CB ALA A 26 19.197 21.571 7.434 1.00 0.00 C ATOM 0 H ALA A 26 17.064 20.692 8.323 1.00 0.00 H new ATOM 0 HA ALA A 26 19.720 20.783 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.160 22.058 7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.208 20.589 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.409 22.179 6.990 1.00 0.00 H new ATOM 362 N SER A 27 17.838 23.410 9.734 1.00 0.00 N ATOM 363 CA SER A 27 17.729 24.686 10.419 1.00 0.00 C ATOM 364 C SER A 27 17.960 24.511 11.918 1.00 0.00 C ATOM 365 O SER A 27 18.659 25.303 12.545 1.00 0.00 O ATOM 366 CB SER A 27 16.345 25.293 10.166 1.00 0.00 C ATOM 367 OG SER A 27 16.192 26.548 10.815 1.00 0.00 O ATOM 0 H SER A 27 16.958 23.064 9.352 1.00 0.00 H new ATOM 0 HA SER A 27 18.493 25.360 10.030 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.193 25.417 9.094 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.577 24.605 10.519 1.00 0.00 H new ATOM 0 HG SER A 27 16.978 27.106 10.638 1.00 0.00 H new ATOM 373 N ARG A 28 17.395 23.455 12.482 1.00 0.00 N ATOM 374 CA ARG A 28 17.469 23.230 13.919 1.00 0.00 C ATOM 375 C ARG A 28 18.521 22.172 14.233 1.00 0.00 C ATOM 376 O ARG A 28 18.458 21.497 15.262 1.00 0.00 O ATOM 377 CB ARG A 28 16.102 22.790 14.455 1.00 0.00 C ATOM 378 CG ARG A 28 14.949 23.681 14.012 1.00 0.00 C ATOM 379 CD ARG A 28 15.131 25.124 14.462 1.00 0.00 C ATOM 380 NE ARG A 28 15.157 25.256 15.917 1.00 0.00 N ATOM 381 CZ ARG A 28 14.148 25.737 16.646 1.00 0.00 C ATOM 382 NH1 ARG A 28 13.009 26.095 16.060 1.00 0.00 N ATOM 383 NH2 ARG A 28 14.271 25.847 17.963 1.00 0.00 N ATOM 0 H ARG A 28 16.880 22.740 11.968 1.00 0.00 H new ATOM 0 HA ARG A 28 17.754 24.163 14.406 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.906 21.769 14.127 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.138 22.774 15.544 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.864 23.649 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.015 23.291 14.416 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.060 25.516 14.048 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.321 25.732 14.059 1.00 0.00 H new ATOM 0 HE ARG A 28 16.001 24.961 16.407 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.904 26.002 15.050 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.240 26.462 16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.138 25.564 18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.499 26.215 18.518 1.00 0.00 H new ATOM 397 N SER A 29 19.492 22.043 13.341 1.00 0.00 N ATOM 398 CA SER A 29 20.552 21.062 13.499 1.00 0.00 C ATOM 399 C SER A 29 21.537 21.497 14.577 1.00 0.00 C ATOM 400 O SER A 29 21.971 20.693 15.404 1.00 0.00 O ATOM 401 CB SER A 29 21.288 20.874 12.170 1.00 0.00 C ATOM 402 OG SER A 29 21.814 22.110 11.700 1.00 0.00 O ATOM 0 H SER A 29 19.566 22.610 12.496 1.00 0.00 H new ATOM 0 HA SER A 29 20.103 20.116 13.803 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.097 20.155 12.297 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.606 20.459 11.428 1.00 0.00 H new ATOM 0 HG SER A 29 21.241 22.459 10.986 1.00 0.00 H new ATOM 408 N GLY A 30 21.872 22.781 14.568 1.00 0.00 N ATOM 409 CA GLY A 30 22.897 23.291 15.453 1.00 0.00 C ATOM 410 C GLY A 30 24.233 23.366 14.748 1.00 0.00 C ATOM 411 O GLY A 30 25.256 23.685 15.355 1.00 0.00 O ATOM 0 H GLY A 30 21.448 23.481 13.959 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.614 24.281 15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.979 22.647 16.329 1.00 0.00 H new ATOM 415 N VAL A 31 24.216 23.060 13.456 1.00 0.00 N ATOM 416 CA VAL A 31 25.421 23.070 12.646 1.00 0.00 C ATOM 417 C VAL A 31 25.373 24.212 11.634 1.00 0.00 C ATOM 418 O VAL A 31 26.205 25.120 11.672 1.00 0.00 O ATOM 419 CB VAL A 31 25.597 21.732 11.896 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.914 21.713 11.135 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.514 20.553 12.860 1.00 0.00 C ATOM 0 H VAL A 31 23.371 22.800 12.946 1.00 0.00 H new ATOM 0 HA VAL A 31 26.269 23.212 13.316 1.00 0.00 H new ATOM 0 HB VAL A 31 24.784 21.637 11.176 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.019 20.762 10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.928 22.528 10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.740 21.836 11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.641 19.622 12.308 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.300 20.640 13.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.541 20.553 13.352 1.00 0.00 H new ATOM 431 N LEU A 32 24.382 24.166 10.746 1.00 0.00 N ATOM 432 CA LEU A 32 24.218 25.188 9.715 1.00 0.00 C ATOM 433 C LEU A 32 23.943 26.543 10.352 1.00 0.00 C ATOM 434 O LEU A 32 23.328 26.623 11.418 1.00 0.00 O ATOM 435 CB LEU A 32 23.071 24.832 8.753 1.00 0.00 C ATOM 436 CG LEU A 32 23.327 23.655 7.801 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.249 22.320 8.533 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.342 23.692 6.640 1.00 0.00 C ATOM 0 H LEU A 32 23.678 23.428 10.720 1.00 0.00 H new ATOM 0 HA LEU A 32 25.146 25.235 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.184 24.607 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 32 22.840 25.713 8.154 1.00 0.00 H new ATOM 0 HG LEU A 32 24.338 23.754 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.435 21.508 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 23.999 22.294 9.324 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.257 22.202 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.535 22.852 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.324 23.624 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 32 22.461 24.626 6.091 1.00 0.00 H new ATOM 450 N THR A 33 24.387 27.607 9.700 1.00 0.00 N ATOM 451 CA THR A 33 24.245 28.941 10.261 1.00 0.00 C ATOM 452 C THR A 33 22.906 29.547 9.874 1.00 0.00 C ATOM 453 O THR A 33 22.201 29.013 9.013 1.00 0.00 O ATOM 454 CB THR A 33 25.373 29.884 9.798 1.00 0.00 C ATOM 455 OG1 THR A 33 25.238 30.178 8.401 1.00 0.00 O ATOM 456 CG2 THR A 33 26.736 29.263 10.053 1.00 0.00 C ATOM 0 H THR A 33 24.845 27.573 8.789 1.00 0.00 H new ATOM 0 HA THR A 33 24.304 28.834 11.344 1.00 0.00 H new ATOM 0 HB THR A 33 25.292 30.808 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 33 25.227 31.149 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.516 29.947 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 33 26.855 29.071 11.119 1.00 0.00 H new ATOM 0 HG23 THR A 33 26.817 28.324 9.505 1.00 0.00 H new ATOM 464 N ALA A 34 22.559 30.663 10.508 1.00 0.00 N ATOM 465 CA ALA A 34 21.339 31.385 10.175 1.00 0.00 C ATOM 466 C ALA A 34 21.345 31.792 8.707 1.00 0.00 C ATOM 467 O ALA A 34 20.297 31.897 8.071 1.00 0.00 O ATOM 468 CB ALA A 34 21.188 32.608 11.065 1.00 0.00 C ATOM 0 H ALA A 34 23.108 31.086 11.256 1.00 0.00 H new ATOM 0 HA ALA A 34 20.488 30.725 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.271 33.137 10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.142 32.295 12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.042 33.270 10.922 1.00 0.00 H new ATOM 474 N ASP A 35 22.541 32.017 8.180 1.00 0.00 N ATOM 475 CA ASP A 35 22.715 32.348 6.774 1.00 0.00 C ATOM 476 C ASP A 35 22.445 31.119 5.922 1.00 0.00 C ATOM 477 O ASP A 35 21.607 31.138 5.023 1.00 0.00 O ATOM 478 CB ASP A 35 24.149 32.820 6.501 1.00 0.00 C ATOM 479 CG ASP A 35 24.730 33.662 7.617 1.00 0.00 C ATOM 480 OD1 ASP A 35 25.070 33.088 8.677 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.856 34.891 7.437 1.00 0.00 O ATOM 0 H ASP A 35 23.411 31.976 8.711 1.00 0.00 H new ATOM 0 HA ASP A 35 22.016 33.147 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.786 31.950 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.163 33.397 5.576 1.00 0.00 H new ATOM 486 N GLN A 36 23.150 30.043 6.253 1.00 0.00 N ATOM 487 CA GLN A 36 23.144 28.828 5.456 1.00 0.00 C ATOM 488 C GLN A 36 21.765 28.172 5.437 1.00 0.00 C ATOM 489 O GLN A 36 21.345 27.610 4.426 1.00 0.00 O ATOM 490 CB GLN A 36 24.190 27.857 6.006 1.00 0.00 C ATOM 491 CG GLN A 36 24.493 26.698 5.078 1.00 0.00 C ATOM 492 CD GLN A 36 25.612 25.817 5.583 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.817 25.680 6.787 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.352 25.222 4.659 1.00 0.00 N ATOM 0 H GLN A 36 23.741 29.991 7.083 1.00 0.00 H new ATOM 0 HA GLN A 36 23.391 29.090 4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.112 28.404 6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.842 27.464 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.593 26.096 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.759 27.086 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.145 25.364 3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.128 24.621 4.936 1.00 0.00 H new ATOM 503 N MET A 37 21.051 28.255 6.552 1.00 0.00 N ATOM 504 CA MET A 37 19.737 27.636 6.650 1.00 0.00 C ATOM 505 C MET A 37 18.705 28.394 5.816 1.00 0.00 C ATOM 506 O MET A 37 17.660 27.846 5.468 1.00 0.00 O ATOM 507 CB MET A 37 19.277 27.545 8.109 1.00 0.00 C ATOM 508 CG MET A 37 18.980 28.890 8.753 1.00 0.00 C ATOM 509 SD MET A 37 18.422 28.734 10.463 1.00 0.00 S ATOM 510 CE MET A 37 19.864 28.000 11.235 1.00 0.00 C ATOM 0 H MET A 37 21.357 28.741 7.395 1.00 0.00 H new ATOM 0 HA MET A 37 19.823 26.625 6.252 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.382 26.925 8.158 1.00 0.00 H new ATOM 0 HB3 MET A 37 20.047 27.038 8.690 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.877 29.509 8.723 1.00 0.00 H new ATOM 0 HG3 MET A 37 18.216 29.406 8.171 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.725 27.975 12.316 1.00 0.00 H new ATOM 0 HE2 MET A 37 19.999 26.985 10.862 1.00 0.00 H new ATOM 0 HE3 MET A 37 20.746 28.594 10.997 1.00 0.00 H new ATOM 520 N ASP A 38 19.000 29.648 5.483 1.00 0.00 N ATOM 521 CA ASP A 38 18.085 30.436 4.667 1.00 0.00 C ATOM 522 C ASP A 38 18.187 30.010 3.209 1.00 0.00 C ATOM 523 O ASP A 38 17.191 29.998 2.485 1.00 0.00 O ATOM 524 CB ASP A 38 18.357 31.936 4.804 1.00 0.00 C ATOM 525 CG ASP A 38 17.315 32.770 4.080 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.130 32.730 4.486 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.668 33.472 3.110 1.00 0.00 O ATOM 0 H ASP A 38 19.853 30.133 5.761 1.00 0.00 H new ATOM 0 HA ASP A 38 17.072 30.251 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.370 32.208 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.345 32.163 4.405 1.00 0.00 H new ATOM 532 N ASP A 39 19.392 29.629 2.790 1.00 0.00 N ATOM 533 CA ASP A 39 19.600 29.106 1.442 1.00 0.00 C ATOM 534 C ASP A 39 18.826 27.808 1.270 1.00 0.00 C ATOM 535 O ASP A 39 18.304 27.521 0.193 1.00 0.00 O ATOM 536 CB ASP A 39 21.087 28.862 1.162 1.00 0.00 C ATOM 537 CG ASP A 39 21.908 30.130 1.200 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.945 30.855 0.183 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.513 30.419 2.251 1.00 0.00 O ATOM 0 H ASP A 39 20.236 29.672 3.362 1.00 0.00 H new ATOM 0 HA ASP A 39 19.238 29.849 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.479 28.159 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.195 28.394 0.184 1.00 0.00 H new ATOM 544 N MET A 40 18.745 27.038 2.350 1.00 0.00 N ATOM 545 CA MET A 40 17.957 25.808 2.370 1.00 0.00 C ATOM 546 C MET A 40 16.491 26.108 2.070 1.00 0.00 C ATOM 547 O MET A 40 15.832 25.373 1.332 1.00 0.00 O ATOM 548 CB MET A 40 18.080 25.124 3.734 1.00 0.00 C ATOM 549 CG MET A 40 19.468 24.581 4.025 1.00 0.00 C ATOM 550 SD MET A 40 19.870 23.125 3.039 1.00 0.00 S ATOM 551 CE MET A 40 18.679 21.947 3.678 1.00 0.00 C ATOM 0 H MET A 40 19.219 27.245 3.229 1.00 0.00 H new ATOM 0 HA MET A 40 18.342 25.139 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.808 25.836 4.513 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.362 24.306 3.786 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.206 25.360 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.540 24.329 5.083 1.00 0.00 H new ATOM 0 HE1 MET A 40 19.151 20.969 3.775 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.327 22.279 4.655 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.834 21.876 2.993 1.00 0.00 H new ATOM 561 N GLY A 41 15.996 27.204 2.636 1.00 0.00 N ATOM 562 CA GLY A 41 14.624 27.613 2.396 1.00 0.00 C ATOM 563 C GLY A 41 14.386 27.981 0.946 1.00 0.00 C ATOM 564 O GLY A 41 13.345 27.649 0.372 1.00 0.00 O ATOM 0 H GLY A 41 16.522 27.818 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.950 26.805 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.384 28.466 3.030 1.00 0.00 H new ATOM 568 N MET A 42 15.359 28.662 0.349 1.00 0.00 N ATOM 569 CA MET A 42 15.274 29.043 -1.055 1.00 0.00 C ATOM 570 C MET A 42 15.351 27.811 -1.946 1.00 0.00 C ATOM 571 O MET A 42 14.675 27.727 -2.974 1.00 0.00 O ATOM 572 CB MET A 42 16.391 30.022 -1.427 1.00 0.00 C ATOM 573 CG MET A 42 16.394 31.291 -0.594 1.00 0.00 C ATOM 574 SD MET A 42 17.468 32.569 -1.273 1.00 0.00 S ATOM 575 CE MET A 42 19.069 31.771 -1.172 1.00 0.00 C ATOM 0 H MET A 42 16.215 28.961 0.816 1.00 0.00 H new ATOM 0 HA MET A 42 14.315 29.537 -1.210 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.353 29.522 -1.314 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.292 30.289 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.377 31.677 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.715 31.054 0.420 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.758 32.249 -1.868 1.00 0.00 H new ATOM 0 HE2 MET A 42 19.457 31.862 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.967 30.717 -1.429 1.00 0.00 H new ATOM 585 N MET A 43 16.175 26.853 -1.537 1.00 0.00 N ATOM 586 CA MET A 43 16.307 25.589 -2.249 1.00 0.00 C ATOM 587 C MET A 43 14.972 24.851 -2.261 1.00 0.00 C ATOM 588 O MET A 43 14.502 24.417 -3.312 1.00 0.00 O ATOM 589 CB MET A 43 17.407 24.741 -1.594 1.00 0.00 C ATOM 590 CG MET A 43 17.593 23.354 -2.200 1.00 0.00 C ATOM 591 SD MET A 43 16.400 22.139 -1.591 1.00 0.00 S ATOM 592 CE MET A 43 16.754 22.146 0.167 1.00 0.00 C ATOM 0 H MET A 43 16.766 26.930 -0.709 1.00 0.00 H new ATOM 0 HA MET A 43 16.591 25.781 -3.284 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.351 25.281 -1.662 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.178 24.631 -0.534 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.507 23.425 -3.284 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.602 23.003 -1.982 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.762 21.122 0.541 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.728 22.603 0.340 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.987 22.717 0.690 1.00 0.00 H new ATOM 602 N ALA A 44 14.348 24.748 -1.090 1.00 0.00 N ATOM 603 CA ALA A 44 13.064 24.069 -0.962 1.00 0.00 C ATOM 604 C ALA A 44 12.005 24.731 -1.834 1.00 0.00 C ATOM 605 O ALA A 44 11.124 24.058 -2.374 1.00 0.00 O ATOM 606 CB ALA A 44 12.615 24.048 0.488 1.00 0.00 C ATOM 0 H ALA A 44 14.712 25.127 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 44 13.192 23.042 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.655 23.537 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.355 23.521 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.512 25.070 0.852 1.00 0.00 H new ATOM 612 N ASP A 45 12.106 26.049 -1.975 1.00 0.00 N ATOM 613 CA ASP A 45 11.182 26.809 -2.810 1.00 0.00 C ATOM 614 C ASP A 45 11.273 26.358 -4.262 1.00 0.00 C ATOM 615 O ASP A 45 10.263 26.217 -4.950 1.00 0.00 O ATOM 616 CB ASP A 45 11.477 28.306 -2.716 1.00 0.00 C ATOM 617 CG ASP A 45 10.621 29.117 -3.666 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.411 29.273 -3.393 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.152 29.600 -4.689 1.00 0.00 O ATOM 0 H ASP A 45 12.822 26.615 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 45 10.172 26.624 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.305 28.645 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.530 28.482 -2.937 1.00 0.00 H new ATOM 624 N SER A 46 12.492 26.114 -4.705 1.00 0.00 N ATOM 625 CA SER A 46 12.744 25.684 -6.068 1.00 0.00 C ATOM 626 C SER A 46 12.191 24.274 -6.292 1.00 0.00 C ATOM 627 O SER A 46 11.578 23.991 -7.325 1.00 0.00 O ATOM 628 CB SER A 46 14.253 25.727 -6.335 1.00 0.00 C ATOM 629 OG SER A 46 14.561 25.458 -7.689 1.00 0.00 O ATOM 0 H SER A 46 13.332 26.208 -4.134 1.00 0.00 H new ATOM 0 HA SER A 46 12.239 26.354 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.641 26.709 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.754 24.999 -5.698 1.00 0.00 H new ATOM 0 HG SER A 46 15.508 25.220 -7.768 1.00 0.00 H new ATOM 635 N VAL A 47 12.374 23.411 -5.295 1.00 0.00 N ATOM 636 CA VAL A 47 11.982 22.005 -5.395 1.00 0.00 C ATOM 637 C VAL A 47 10.492 21.836 -5.691 1.00 0.00 C ATOM 638 O VAL A 47 10.124 21.076 -6.587 1.00 0.00 O ATOM 639 CB VAL A 47 12.333 21.226 -4.110 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.895 19.770 -4.219 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.824 21.313 -3.830 1.00 0.00 C ATOM 0 H VAL A 47 12.795 23.663 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 47 12.549 21.596 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 47 11.794 21.680 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.154 19.243 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.817 19.725 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.401 19.300 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.056 20.759 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.377 20.886 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.110 22.357 -3.702 1.00 0.00 H new ATOM 651 N ASN A 48 9.631 22.540 -4.957 1.00 0.00 N ATOM 652 CA ASN A 48 8.194 22.368 -5.138 1.00 0.00 C ATOM 653 C ASN A 48 7.743 22.874 -6.495 1.00 0.00 C ATOM 654 O ASN A 48 6.810 22.330 -7.078 1.00 0.00 O ATOM 655 CB ASN A 48 7.375 23.038 -4.026 1.00 0.00 C ATOM 656 CG ASN A 48 7.664 24.512 -3.841 1.00 0.00 C ATOM 657 OD1 ASN A 48 7.140 25.360 -4.560 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.463 24.830 -2.839 1.00 0.00 N ATOM 0 H ASN A 48 9.898 23.221 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 48 8.008 21.296 -5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.315 22.912 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.569 22.521 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.665 25.810 -2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.878 24.096 -2.265 1.00 0.00 H new ATOM 665 N SER A 49 8.410 23.897 -7.010 1.00 0.00 N ATOM 666 CA SER A 49 8.076 24.414 -8.324 1.00 0.00 C ATOM 667 C SER A 49 8.434 23.372 -9.382 1.00 0.00 C ATOM 668 O SER A 49 7.627 23.055 -10.254 1.00 0.00 O ATOM 669 CB SER A 49 8.806 25.736 -8.590 1.00 0.00 C ATOM 670 OG SER A 49 8.263 26.402 -9.719 1.00 0.00 O ATOM 0 H SER A 49 9.177 24.379 -6.542 1.00 0.00 H new ATOM 0 HA SER A 49 7.006 24.615 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.730 26.379 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.866 25.543 -8.753 1.00 0.00 H new ATOM 0 HG SER A 49 8.745 27.243 -9.866 1.00 0.00 H new ATOM 676 N GLN A 50 9.635 22.814 -9.268 1.00 0.00 N ATOM 677 CA GLN A 50 10.101 21.790 -10.197 1.00 0.00 C ATOM 678 C GLN A 50 9.212 20.551 -10.133 1.00 0.00 C ATOM 679 O GLN A 50 8.810 20.012 -11.161 1.00 0.00 O ATOM 680 CB GLN A 50 11.544 21.397 -9.882 1.00 0.00 C ATOM 681 CG GLN A 50 12.529 22.553 -9.942 1.00 0.00 C ATOM 682 CD GLN A 50 13.941 22.131 -9.587 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.344 20.995 -9.840 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.696 23.036 -8.989 1.00 0.00 N ATOM 0 H GLN A 50 10.306 23.055 -8.538 1.00 0.00 H new ATOM 0 HA GLN A 50 10.053 22.207 -11.203 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.580 20.955 -8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.861 20.627 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.522 22.980 -10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.205 23.338 -9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.323 23.966 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.652 22.805 -8.719 1.00 0.00 H new ATOM 693 N MET A 51 8.905 20.113 -8.918 1.00 0.00 N ATOM 694 CA MET A 51 8.111 18.908 -8.702 1.00 0.00 C ATOM 695 C MET A 51 6.706 19.041 -9.285 1.00 0.00 C ATOM 696 O MET A 51 6.229 18.139 -9.973 1.00 0.00 O ATOM 697 CB MET A 51 8.046 18.590 -7.206 1.00 0.00 C ATOM 698 CG MET A 51 7.199 17.372 -6.857 1.00 0.00 C ATOM 699 SD MET A 51 5.560 17.808 -6.232 1.00 0.00 S ATOM 700 CE MET A 51 5.990 18.657 -4.715 1.00 0.00 C ATOM 0 H MET A 51 9.197 20.579 -8.059 1.00 0.00 H new ATOM 0 HA MET A 51 8.599 18.085 -9.224 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.059 18.431 -6.837 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.647 19.457 -6.680 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.090 16.746 -7.743 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.721 16.776 -6.108 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.087 18.847 -4.135 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.672 18.038 -4.132 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.474 19.604 -4.953 1.00 0.00 H new ATOM 710 N GLN A 52 6.050 20.168 -9.034 1.00 0.00 N ATOM 711 CA GLN A 52 4.683 20.355 -9.506 1.00 0.00 C ATOM 712 C GLN A 52 4.644 20.565 -11.018 1.00 0.00 C ATOM 713 O GLN A 52 3.659 20.218 -11.674 1.00 0.00 O ATOM 714 CB GLN A 52 4.006 21.520 -8.784 1.00 0.00 C ATOM 715 CG GLN A 52 3.871 21.305 -7.283 1.00 0.00 C ATOM 716 CD GLN A 52 3.026 22.367 -6.610 1.00 0.00 C ATOM 717 OE1 GLN A 52 1.813 22.211 -6.463 1.00 0.00 O ATOM 718 NE2 GLN A 52 3.655 23.453 -6.193 1.00 0.00 N ATOM 0 H GLN A 52 6.436 20.956 -8.514 1.00 0.00 H new ATOM 0 HA GLN A 52 4.129 19.444 -9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.578 22.430 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.016 21.677 -9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.429 20.326 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.863 21.297 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.661 23.545 -6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.134 24.198 -5.731 1.00 0.00 H new ATOM 727 N LYS A 53 5.710 21.128 -11.577 1.00 0.00 N ATOM 728 CA LYS A 53 5.810 21.270 -13.023 1.00 0.00 C ATOM 729 C LYS A 53 6.203 19.944 -13.662 1.00 0.00 C ATOM 730 O LYS A 53 5.974 19.721 -14.851 1.00 0.00 O ATOM 731 CB LYS A 53 6.803 22.370 -13.396 1.00 0.00 C ATOM 732 CG LYS A 53 6.354 23.747 -12.941 1.00 0.00 C ATOM 733 CD LYS A 53 7.324 24.834 -13.366 1.00 0.00 C ATOM 734 CE LYS A 53 6.939 26.174 -12.764 1.00 0.00 C ATOM 735 NZ LYS A 53 5.546 26.564 -13.114 1.00 0.00 N ATOM 0 H LYS A 53 6.509 21.490 -11.056 1.00 0.00 H new ATOM 0 HA LYS A 53 4.832 21.559 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.772 22.144 -12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.941 22.377 -14.477 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.368 23.961 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.254 23.755 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.334 24.568 -13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.337 24.910 -14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.040 26.127 -11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.629 26.941 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.380 27.551 -12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.407 26.471 -14.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.876 25.943 -12.616 1.00 0.00 H new ATOM 749 N MET A 54 6.792 19.065 -12.862 1.00 0.00 N ATOM 750 CA MET A 54 7.034 17.694 -13.283 1.00 0.00 C ATOM 751 C MET A 54 5.699 16.961 -13.363 1.00 0.00 C ATOM 752 O MET A 54 5.511 16.062 -14.183 1.00 0.00 O ATOM 753 CB MET A 54 7.989 16.984 -12.315 1.00 0.00 C ATOM 754 CG MET A 54 8.246 15.529 -12.674 1.00 0.00 C ATOM 755 SD MET A 54 9.622 14.798 -11.758 1.00 0.00 S ATOM 756 CE MET A 54 9.024 14.828 -10.070 1.00 0.00 C ATOM 0 H MET A 54 7.111 19.279 -11.917 1.00 0.00 H new ATOM 0 HA MET A 54 7.508 17.695 -14.265 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.939 17.519 -12.297 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.576 17.034 -11.308 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.343 14.950 -12.482 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.450 15.456 -13.742 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.562 14.086 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.186 15.818 -9.644 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.959 14.598 -10.057 1.00 0.00 H new ATOM 766 N GLY A 55 4.773 17.373 -12.507 1.00 0.00 N ATOM 767 CA GLY A 55 3.420 16.871 -12.571 1.00 0.00 C ATOM 768 C GLY A 55 2.985 16.212 -11.281 1.00 0.00 C ATOM 769 O GLY A 55 3.809 15.656 -10.559 1.00 0.00 O ATOM 0 H GLY A 55 4.940 18.052 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.742 17.692 -12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.341 16.153 -13.387 1.00 0.00 H new ATOM 773 N PRO A 56 1.680 16.251 -10.967 1.00 0.00 N ATOM 774 CA PRO A 56 1.116 15.560 -9.798 1.00 0.00 C ATOM 775 C PRO A 56 1.000 14.059 -10.035 1.00 0.00 C ATOM 776 O PRO A 56 0.277 13.346 -9.332 1.00 0.00 O ATOM 777 CB PRO A 56 -0.268 16.192 -9.656 1.00 0.00 C ATOM 778 CG PRO A 56 -0.639 16.583 -11.044 1.00 0.00 C ATOM 779 CD PRO A 56 0.645 16.988 -11.720 1.00 0.00 C ATOM 0 HA PRO A 56 1.737 15.665 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.986 15.487 -9.236 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.244 17.056 -8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.112 15.753 -11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.354 17.406 -11.039 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.646 16.715 -12.775 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.803 18.065 -11.669 1.00 0.00 H new ATOM 787 N ASN A 57 1.738 13.600 -11.029 1.00 0.00 N ATOM 788 CA ASN A 57 1.742 12.217 -11.456 1.00 0.00 C ATOM 789 C ASN A 57 2.939 12.016 -12.381 1.00 0.00 C ATOM 790 O ASN A 57 2.788 11.869 -13.595 1.00 0.00 O ATOM 791 CB ASN A 57 0.438 11.886 -12.182 1.00 0.00 C ATOM 792 CG ASN A 57 -0.294 10.700 -11.579 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.921 9.915 -12.293 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.254 10.583 -10.260 1.00 0.00 N ATOM 0 H ASN A 57 2.365 14.193 -11.573 1.00 0.00 H new ATOM 0 HA ASN A 57 1.820 11.552 -10.596 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.215 12.758 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.655 11.677 -13.230 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.754 9.822 -9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.277 11.254 -9.704 1.00 0.00 H new ATOM 801 N PRO A 58 4.148 12.080 -11.804 1.00 0.00 N ATOM 802 CA PRO A 58 5.407 12.108 -12.560 1.00 0.00 C ATOM 803 C PRO A 58 5.728 10.796 -13.271 1.00 0.00 C ATOM 804 O PRO A 58 5.520 9.711 -12.725 1.00 0.00 O ATOM 805 CB PRO A 58 6.472 12.383 -11.488 1.00 0.00 C ATOM 806 CG PRO A 58 5.717 12.826 -10.282 1.00 0.00 C ATOM 807 CD PRO A 58 4.394 12.130 -10.358 1.00 0.00 C ATOM 0 HA PRO A 58 5.357 12.852 -13.355 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.058 11.488 -11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.171 13.151 -11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.248 12.560 -9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.591 13.909 -10.274 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.433 11.134 -9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.614 12.681 -9.832 1.00 0.00 H new ATOM 815 N PRO A 59 6.240 10.886 -14.510 1.00 0.00 N ATOM 816 CA PRO A 59 6.764 9.724 -15.219 1.00 0.00 C ATOM 817 C PRO A 59 8.037 9.206 -14.551 1.00 0.00 C ATOM 818 O PRO A 59 8.858 9.992 -14.073 1.00 0.00 O ATOM 819 CB PRO A 59 7.050 10.247 -16.631 1.00 0.00 C ATOM 820 CG PRO A 59 7.177 11.726 -16.487 1.00 0.00 C ATOM 821 CD PRO A 59 6.333 12.121 -15.307 1.00 0.00 C ATOM 0 HA PRO A 59 6.070 8.884 -15.221 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.965 9.811 -17.034 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.244 9.987 -17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.217 12.011 -16.331 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.839 12.233 -17.391 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.793 12.929 -14.739 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.349 12.471 -15.619 1.00 0.00 H new ATOM 829 N GLN A 60 8.201 7.888 -14.543 1.00 0.00 N ATOM 830 CA GLN A 60 9.268 7.228 -13.788 1.00 0.00 C ATOM 831 C GLN A 60 10.658 7.782 -14.104 1.00 0.00 C ATOM 832 O GLN A 60 11.491 7.915 -13.205 1.00 0.00 O ATOM 833 CB GLN A 60 9.237 5.717 -14.042 1.00 0.00 C ATOM 834 CG GLN A 60 8.002 5.031 -13.477 1.00 0.00 C ATOM 835 CD GLN A 60 7.905 5.146 -11.965 1.00 0.00 C ATOM 836 OE1 GLN A 60 8.919 5.214 -11.267 1.00 0.00 O ATOM 837 NE2 GLN A 60 6.686 5.172 -11.451 1.00 0.00 N ATOM 0 H GLN A 60 7.600 7.244 -15.058 1.00 0.00 H new ATOM 0 HA GLN A 60 9.078 7.433 -12.734 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.284 5.536 -15.116 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.127 5.265 -13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.111 5.468 -13.928 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.017 3.978 -13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.873 5.113 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.560 5.251 -10.442 1.00 0.00 H new ATOM 846 N HIS A 61 10.907 8.124 -15.364 1.00 0.00 N ATOM 847 CA HIS A 61 12.233 8.594 -15.773 1.00 0.00 C ATOM 848 C HIS A 61 12.541 9.974 -15.197 1.00 0.00 C ATOM 849 O HIS A 61 13.698 10.368 -15.097 1.00 0.00 O ATOM 850 CB HIS A 61 12.377 8.602 -17.308 1.00 0.00 C ATOM 851 CG HIS A 61 11.543 9.630 -18.025 1.00 0.00 C ATOM 852 ND1 HIS A 61 10.421 9.312 -18.762 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.693 10.972 -18.139 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.919 10.413 -19.293 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.674 11.430 -18.929 1.00 0.00 N ATOM 0 H HIS A 61 10.218 8.087 -16.115 1.00 0.00 H new ATOM 0 HA HIS A 61 12.961 7.892 -15.368 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.425 8.769 -17.558 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.113 7.615 -17.687 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.472 11.569 -17.690 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.040 10.470 -19.918 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.523 12.403 -19.194 1.00 0.00 H new ATOM 863 N ARG A 62 11.503 10.698 -14.806 1.00 0.00 N ATOM 864 CA ARG A 62 11.677 12.031 -14.249 1.00 0.00 C ATOM 865 C ARG A 62 12.214 11.959 -12.829 1.00 0.00 C ATOM 866 O ARG A 62 12.983 12.816 -12.407 1.00 0.00 O ATOM 867 CB ARG A 62 10.359 12.800 -14.281 1.00 0.00 C ATOM 868 CG ARG A 62 10.100 13.511 -15.597 1.00 0.00 C ATOM 869 CD ARG A 62 10.981 14.741 -15.745 1.00 0.00 C ATOM 870 NE ARG A 62 10.644 15.509 -16.940 1.00 0.00 N ATOM 871 CZ ARG A 62 10.729 16.837 -17.023 1.00 0.00 C ATOM 872 NH1 ARG A 62 11.165 17.549 -15.991 1.00 0.00 N ATOM 873 NH2 ARG A 62 10.388 17.450 -18.148 1.00 0.00 N ATOM 0 H ARG A 62 10.534 10.386 -14.864 1.00 0.00 H new ATOM 0 HA ARG A 62 12.405 12.562 -14.862 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.540 12.108 -14.084 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.357 13.534 -13.475 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.286 12.827 -16.425 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.052 13.803 -15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.873 15.374 -14.864 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.026 14.436 -15.792 1.00 0.00 H new ATOM 0 HE ARG A 62 10.324 14.998 -17.763 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.438 17.080 -15.127 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.227 18.565 -16.062 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.062 16.906 -18.947 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.452 18.466 -18.215 1.00 0.00 H new ATOM 887 N LEU A 63 11.828 10.920 -12.102 1.00 0.00 N ATOM 888 CA LEU A 63 12.305 10.730 -10.738 1.00 0.00 C ATOM 889 C LEU A 63 13.814 10.531 -10.730 1.00 0.00 C ATOM 890 O LEU A 63 14.510 10.987 -9.824 1.00 0.00 O ATOM 891 CB LEU A 63 11.619 9.530 -10.074 1.00 0.00 C ATOM 892 CG LEU A 63 10.180 9.760 -9.603 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.231 9.931 -10.779 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.726 8.613 -8.714 1.00 0.00 C ATOM 0 H LEU A 63 11.188 10.197 -12.432 1.00 0.00 H new ATOM 0 HA LEU A 63 12.057 11.626 -10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.622 8.698 -10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.217 9.223 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 63 10.160 10.684 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.218 10.092 -10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.541 10.790 -11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.253 9.034 -11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.701 8.790 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.772 7.679 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.379 8.547 -7.844 1.00 0.00 H new ATOM 906 N ARG A 64 14.314 9.884 -11.773 1.00 0.00 N ATOM 907 CA ARG A 64 15.736 9.592 -11.883 1.00 0.00 C ATOM 908 C ARG A 64 16.475 10.762 -12.522 1.00 0.00 C ATOM 909 O ARG A 64 17.677 10.691 -12.773 1.00 0.00 O ATOM 910 CB ARG A 64 15.970 8.301 -12.680 1.00 0.00 C ATOM 911 CG ARG A 64 15.614 7.033 -11.910 1.00 0.00 C ATOM 912 CD ARG A 64 14.115 6.907 -11.693 1.00 0.00 C ATOM 913 NE ARG A 64 13.780 5.932 -10.655 1.00 0.00 N ATOM 914 CZ ARG A 64 12.546 5.483 -10.430 1.00 0.00 C ATOM 915 NH1 ARG A 64 11.545 5.875 -11.208 1.00 0.00 N ATOM 916 NH2 ARG A 64 12.312 4.649 -9.424 1.00 0.00 N ATOM 0 H ARG A 64 13.754 9.550 -12.557 1.00 0.00 H new ATOM 0 HA ARG A 64 16.131 9.444 -10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.380 8.337 -13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.017 8.253 -12.978 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.977 6.162 -12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.122 7.039 -10.946 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.708 7.880 -11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.639 6.615 -12.629 1.00 0.00 H new ATOM 0 HE ARG A 64 14.535 5.575 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.720 6.520 -11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.600 5.531 -11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.078 4.350 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.366 4.307 -9.254 1.00 0.00 H new ATOM 930 N ALA A 65 15.746 11.840 -12.775 1.00 0.00 N ATOM 931 CA ALA A 65 16.343 13.074 -13.262 1.00 0.00 C ATOM 932 C ALA A 65 16.238 14.175 -12.207 1.00 0.00 C ATOM 933 O ALA A 65 16.937 15.188 -12.278 1.00 0.00 O ATOM 934 CB ALA A 65 15.680 13.511 -14.562 1.00 0.00 C ATOM 0 H ALA A 65 14.735 11.884 -12.650 1.00 0.00 H new ATOM 0 HA ALA A 65 17.399 12.890 -13.460 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.139 14.436 -14.912 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.809 12.734 -15.315 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.616 13.676 -14.390 1.00 0.00 H new ATOM 940 N MET A 66 15.385 13.955 -11.208 1.00 0.00 N ATOM 941 CA MET A 66 15.136 14.959 -10.174 1.00 0.00 C ATOM 942 C MET A 66 16.106 14.791 -9.018 1.00 0.00 C ATOM 943 O MET A 66 16.321 15.712 -8.228 1.00 0.00 O ATOM 944 CB MET A 66 13.694 14.875 -9.663 1.00 0.00 C ATOM 945 CG MET A 66 12.675 15.445 -10.633 1.00 0.00 C ATOM 946 SD MET A 66 12.875 17.218 -10.898 1.00 0.00 S ATOM 947 CE MET A 66 12.563 17.852 -9.251 1.00 0.00 C ATOM 0 H MET A 66 14.855 13.091 -11.092 1.00 0.00 H new ATOM 0 HA MET A 66 15.288 15.941 -10.621 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.448 13.832 -9.461 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.621 15.409 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.761 14.928 -11.589 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.672 15.250 -10.254 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.871 18.692 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.127 17.065 -8.635 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.501 18.184 -8.805 1.00 0.00 H new ATOM 957 N ASN A 67 16.683 13.606 -8.931 1.00 0.00 N ATOM 958 CA ASN A 67 17.701 13.305 -7.932 1.00 0.00 C ATOM 959 C ASN A 67 18.856 14.300 -8.011 1.00 0.00 C ATOM 960 O ASN A 67 19.170 14.975 -7.036 1.00 0.00 O ATOM 961 CB ASN A 67 18.214 11.869 -8.115 1.00 0.00 C ATOM 962 CG ASN A 67 18.377 11.469 -9.576 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.676 12.290 -10.446 1.00 0.00 O ATOM 964 ND2 ASN A 67 18.170 10.201 -9.861 1.00 0.00 N ATOM 0 H ASN A 67 16.462 12.824 -9.548 1.00 0.00 H new ATOM 0 HA ASN A 67 17.248 13.393 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 67 19.173 11.766 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.522 11.179 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.256 9.874 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.924 9.545 -9.120 1.00 0.00 H new ATOM 971 N THR A 68 19.455 14.401 -9.188 1.00 0.00 N ATOM 972 CA THR A 68 20.572 15.299 -9.419 1.00 0.00 C ATOM 973 C THR A 68 20.136 16.752 -9.262 1.00 0.00 C ATOM 974 O THR A 68 20.877 17.575 -8.731 1.00 0.00 O ATOM 975 CB THR A 68 21.162 15.087 -10.830 1.00 0.00 C ATOM 976 OG1 THR A 68 21.473 13.698 -11.026 1.00 0.00 O ATOM 977 CG2 THR A 68 22.419 15.925 -11.033 1.00 0.00 C ATOM 0 H THR A 68 19.179 13.862 -10.009 1.00 0.00 H new ATOM 0 HA THR A 68 21.338 15.075 -8.677 1.00 0.00 H new ATOM 0 HB THR A 68 20.416 15.404 -11.559 1.00 0.00 H new ATOM 0 HG1 THR A 68 21.845 13.570 -11.923 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.812 15.755 -12.035 1.00 0.00 H new ATOM 0 HG22 THR A 68 22.176 16.981 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 68 23.170 15.640 -10.296 1.00 0.00 H new ATOM 985 N ALA A 69 18.915 17.046 -9.707 1.00 0.00 N ATOM 986 CA ALA A 69 18.371 18.395 -9.638 1.00 0.00 C ATOM 987 C ALA A 69 18.387 18.924 -8.208 1.00 0.00 C ATOM 988 O ALA A 69 19.013 19.946 -7.920 1.00 0.00 O ATOM 989 CB ALA A 69 16.954 18.418 -10.196 1.00 0.00 C ATOM 0 H ALA A 69 18.283 16.361 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 69 19.002 19.046 -10.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.557 19.432 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.967 18.091 -11.236 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.322 17.748 -9.613 1.00 0.00 H new ATOM 995 N MET A 70 17.721 18.209 -7.310 1.00 0.00 N ATOM 996 CA MET A 70 17.636 18.634 -5.920 1.00 0.00 C ATOM 997 C MET A 70 19.004 18.542 -5.257 1.00 0.00 C ATOM 998 O MET A 70 19.442 19.474 -4.584 1.00 0.00 O ATOM 999 CB MET A 70 16.614 17.787 -5.152 1.00 0.00 C ATOM 1000 CG MET A 70 16.364 18.278 -3.732 1.00 0.00 C ATOM 1001 SD MET A 70 17.071 17.195 -2.475 1.00 0.00 S ATOM 1002 CE MET A 70 15.907 15.833 -2.503 1.00 0.00 C ATOM 0 H MET A 70 17.235 17.337 -7.518 1.00 0.00 H new ATOM 0 HA MET A 70 17.303 19.672 -5.899 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.671 17.785 -5.699 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.963 16.755 -5.115 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.784 19.277 -3.620 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.290 18.364 -3.567 1.00 0.00 H new ATOM 0 HE1 MET A 70 16.211 15.080 -1.776 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.912 16.200 -2.251 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.889 15.390 -3.499 1.00 0.00 H new ATOM 1012 N ALA A 71 19.680 17.422 -5.483 1.00 0.00 N ATOM 1013 CA ALA A 71 20.998 17.178 -4.901 1.00 0.00 C ATOM 1014 C ALA A 71 21.969 18.312 -5.215 1.00 0.00 C ATOM 1015 O ALA A 71 22.730 18.742 -4.352 1.00 0.00 O ATOM 1016 CB ALA A 71 21.560 15.860 -5.400 1.00 0.00 C ATOM 0 H ALA A 71 19.335 16.662 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 71 20.876 17.130 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.542 15.692 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.891 15.048 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.652 15.891 -6.486 1.00 0.00 H new ATOM 1022 N ALA A 72 21.931 18.799 -6.453 1.00 0.00 N ATOM 1023 CA ALA A 72 22.825 19.866 -6.887 1.00 0.00 C ATOM 1024 C ALA A 72 22.546 21.161 -6.137 1.00 0.00 C ATOM 1025 O ALA A 72 23.463 21.796 -5.614 1.00 0.00 O ATOM 1026 CB ALA A 72 22.696 20.092 -8.385 1.00 0.00 C ATOM 0 H ALA A 72 21.289 18.470 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 72 23.845 19.556 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.370 20.892 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.955 19.175 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.670 20.371 -8.624 1.00 0.00 H new ATOM 1032 N GLU A 73 21.275 21.542 -6.071 1.00 0.00 N ATOM 1033 CA GLU A 73 20.888 22.793 -5.431 1.00 0.00 C ATOM 1034 C GLU A 73 21.078 22.719 -3.915 1.00 0.00 C ATOM 1035 O GLU A 73 21.292 23.739 -3.260 1.00 0.00 O ATOM 1036 CB GLU A 73 19.447 23.158 -5.804 1.00 0.00 C ATOM 1037 CG GLU A 73 19.306 23.588 -7.260 1.00 0.00 C ATOM 1038 CD GLU A 73 17.874 23.866 -7.676 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.317 24.909 -7.266 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.311 23.055 -8.439 1.00 0.00 O ATOM 0 H GLU A 73 20.497 21.004 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 73 21.541 23.586 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.800 22.301 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.102 23.964 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.904 24.484 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.717 22.809 -7.902 1.00 0.00 H new ATOM 1047 N VAL A 74 21.019 21.511 -3.361 1.00 0.00 N ATOM 1048 CA VAL A 74 21.336 21.306 -1.950 1.00 0.00 C ATOM 1049 C VAL A 74 22.846 21.386 -1.739 1.00 0.00 C ATOM 1050 O VAL A 74 23.325 22.039 -0.812 1.00 0.00 O ATOM 1051 CB VAL A 74 20.816 19.945 -1.426 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.251 19.711 0.017 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.304 19.872 -1.534 1.00 0.00 C ATOM 0 H VAL A 74 20.756 20.663 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 74 20.835 22.094 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 74 21.250 19.161 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 74 20.872 18.748 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.340 19.714 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 20.853 20.504 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.959 18.908 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.858 20.671 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.008 19.984 -2.577 1.00 0.00 H new ATOM 1063 N ALA A 75 23.589 20.729 -2.626 1.00 0.00 N ATOM 1064 CA ALA A 75 25.046 20.720 -2.571 1.00 0.00 C ATOM 1065 C ALA A 75 25.615 22.127 -2.674 1.00 0.00 C ATOM 1066 O ALA A 75 26.676 22.418 -2.122 1.00 0.00 O ATOM 1067 CB ALA A 75 25.603 19.859 -3.689 1.00 0.00 C ATOM 0 H ALA A 75 23.199 20.190 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 75 25.341 20.304 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.692 19.858 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.234 18.839 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.284 20.260 -4.651 1.00 0.00 H new ATOM 1073 N GLU A 76 24.903 22.994 -3.387 1.00 0.00 N ATOM 1074 CA GLU A 76 25.308 24.380 -3.556 1.00 0.00 C ATOM 1075 C GLU A 76 25.419 25.067 -2.197 1.00 0.00 C ATOM 1076 O GLU A 76 26.337 25.849 -1.951 1.00 0.00 O ATOM 1077 CB GLU A 76 24.286 25.106 -4.433 1.00 0.00 C ATOM 1078 CG GLU A 76 24.902 26.094 -5.401 1.00 0.00 C ATOM 1079 CD GLU A 76 25.793 25.414 -6.420 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.261 24.719 -7.312 1.00 0.00 O ATOM 1081 OE2 GLU A 76 27.028 25.571 -6.337 1.00 0.00 O ATOM 0 H GLU A 76 24.032 22.754 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 76 26.284 24.412 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.715 24.368 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.580 25.633 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.110 26.637 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 76 25.483 26.830 -4.846 1.00 0.00 H new ATOM 1088 N VAL A 77 24.491 24.736 -1.307 1.00 0.00 N ATOM 1089 CA VAL A 77 24.458 25.314 0.031 1.00 0.00 C ATOM 1090 C VAL A 77 25.575 24.725 0.893 1.00 0.00 C ATOM 1091 O VAL A 77 26.161 25.406 1.740 1.00 0.00 O ATOM 1092 CB VAL A 77 23.096 25.050 0.713 1.00 0.00 C ATOM 1093 CG1 VAL A 77 23.006 25.762 2.055 1.00 0.00 C ATOM 1094 CG2 VAL A 77 21.948 25.467 -0.197 1.00 0.00 C ATOM 0 H VAL A 77 23.745 24.065 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 77 24.602 26.390 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 77 23.016 23.979 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.037 25.558 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.799 25.403 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 23.117 26.836 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 77 20.999 25.273 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.029 26.531 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 77 21.993 24.897 -1.125 1.00 0.00 H new ATOM 1104 N VAL A 78 25.880 23.459 0.654 1.00 0.00 N ATOM 1105 CA VAL A 78 26.880 22.742 1.439 1.00 0.00 C ATOM 1106 C VAL A 78 28.300 23.076 0.964 1.00 0.00 C ATOM 1107 O VAL A 78 29.276 22.855 1.679 1.00 0.00 O ATOM 1108 CB VAL A 78 26.648 21.214 1.359 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.516 20.471 2.362 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.181 20.886 1.588 1.00 0.00 C ATOM 0 H VAL A 78 25.447 22.901 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 78 26.776 23.063 2.475 1.00 0.00 H new ATOM 0 HB VAL A 78 26.931 20.886 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.330 19.400 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.567 20.674 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.274 20.806 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.036 19.807 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.879 21.239 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.575 21.376 0.826 1.00 0.00 H new ATOM 1120 N ALA A 79 28.404 23.640 -0.234 1.00 0.00 N ATOM 1121 CA ALA A 79 29.699 23.970 -0.827 1.00 0.00 C ATOM 1122 C ALA A 79 30.367 25.145 -0.113 1.00 0.00 C ATOM 1123 O ALA A 79 31.505 25.504 -0.413 1.00 0.00 O ATOM 1124 CB ALA A 79 29.526 24.284 -2.304 1.00 0.00 C ATOM 0 H ALA A 79 27.603 23.880 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 79 30.350 23.103 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.495 24.529 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.108 23.416 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.851 25.132 -2.419 1.00 0.00 H new ATOM 1130 N THR A 80 29.655 25.743 0.828 1.00 0.00 N ATOM 1131 CA THR A 80 30.182 26.865 1.584 1.00 0.00 C ATOM 1132 C THR A 80 30.660 26.401 2.965 1.00 0.00 C ATOM 1133 O THR A 80 31.066 27.203 3.805 1.00 0.00 O ATOM 1134 CB THR A 80 29.106 27.961 1.727 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.433 28.125 0.472 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.714 29.296 2.140 1.00 0.00 C ATOM 0 H THR A 80 28.707 25.468 1.087 1.00 0.00 H new ATOM 0 HA THR A 80 31.034 27.280 1.046 1.00 0.00 H new ATOM 0 HB THR A 80 28.408 27.649 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.747 28.819 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.925 30.043 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 80 30.220 29.184 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.433 29.617 1.386 1.00 0.00 H new ATOM 1144 N SER A 81 30.616 25.094 3.189 1.00 0.00 N ATOM 1145 CA SER A 81 31.040 24.524 4.455 1.00 0.00 C ATOM 1146 C SER A 81 32.448 23.935 4.351 1.00 0.00 C ATOM 1147 O SER A 81 32.680 23.005 3.579 1.00 0.00 O ATOM 1148 CB SER A 81 30.048 23.451 4.896 1.00 0.00 C ATOM 1149 OG SER A 81 28.762 24.018 5.068 1.00 0.00 O ATOM 0 H SER A 81 30.290 24.410 2.507 1.00 0.00 H new ATOM 0 HA SER A 81 31.065 25.319 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.007 22.655 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.382 22.998 5.829 1.00 0.00 H new ATOM 0 HG SER A 81 28.843 24.990 5.167 1.00 0.00 H new ATOM 1155 N PRO A 82 33.407 24.480 5.120 1.00 0.00 N ATOM 1156 CA PRO A 82 34.785 23.970 5.157 1.00 0.00 C ATOM 1157 C PRO A 82 34.842 22.525 5.649 1.00 0.00 C ATOM 1158 O PRO A 82 34.049 22.141 6.504 1.00 0.00 O ATOM 1159 CB PRO A 82 35.492 24.899 6.152 1.00 0.00 C ATOM 1160 CG PRO A 82 34.636 26.115 6.223 1.00 0.00 C ATOM 1161 CD PRO A 82 33.230 25.641 6.008 1.00 0.00 C ATOM 0 HA PRO A 82 35.244 23.963 4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.590 24.428 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.499 25.145 5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.738 26.609 7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.924 26.841 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.750 25.363 6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.610 26.411 5.548 1.00 0.00 H new ATOM 1169 N PRO A 83 35.797 21.726 5.128 1.00 0.00 N ATOM 1170 CA PRO A 83 35.910 20.282 5.406 1.00 0.00 C ATOM 1171 C PRO A 83 35.640 19.898 6.864 1.00 0.00 C ATOM 1172 O PRO A 83 34.925 18.930 7.135 1.00 0.00 O ATOM 1173 CB PRO A 83 37.359 19.982 5.042 1.00 0.00 C ATOM 1174 CG PRO A 83 37.665 20.930 3.933 1.00 0.00 C ATOM 1175 CD PRO A 83 36.857 22.177 4.203 1.00 0.00 C ATOM 0 HA PRO A 83 35.166 19.715 4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.023 20.137 5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.483 18.946 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.730 21.157 3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.401 20.497 2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.470 22.960 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.437 22.586 3.284 1.00 0.00 H new ATOM 1183 N GLN A 84 36.215 20.661 7.791 1.00 0.00 N ATOM 1184 CA GLN A 84 36.042 20.417 9.224 1.00 0.00 C ATOM 1185 C GLN A 84 34.562 20.347 9.600 1.00 0.00 C ATOM 1186 O GLN A 84 34.115 19.393 10.240 1.00 0.00 O ATOM 1187 CB GLN A 84 36.719 21.527 10.030 1.00 0.00 C ATOM 1188 CG GLN A 84 36.660 21.312 11.535 1.00 0.00 C ATOM 1189 CD GLN A 84 37.222 22.478 12.329 1.00 0.00 C ATOM 1190 OE1 GLN A 84 37.791 22.288 13.400 1.00 0.00 O ATOM 1191 NE2 GLN A 84 37.050 23.694 11.829 1.00 0.00 N ATOM 0 H GLN A 84 36.810 21.461 7.574 1.00 0.00 H new ATOM 0 HA GLN A 84 36.504 19.458 9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 84 37.762 21.602 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.246 22.479 9.789 1.00 0.00 H new ATOM 0 HG2 GLN A 84 35.624 21.145 11.831 1.00 0.00 H new ATOM 0 HG3 GLN A 84 37.214 20.408 11.788 1.00 0.00 H new ATOM 0 HE21 GLN A 84 36.572 23.815 10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 84 37.395 24.508 12.337 1.00 0.00 H new ATOM 1200 N SER A 85 33.810 21.354 9.184 1.00 0.00 N ATOM 1201 CA SER A 85 32.403 21.461 9.531 1.00 0.00 C ATOM 1202 C SER A 85 31.537 20.738 8.498 1.00 0.00 C ATOM 1203 O SER A 85 30.412 20.330 8.790 1.00 0.00 O ATOM 1204 CB SER A 85 32.013 22.936 9.612 1.00 0.00 C ATOM 1205 OG SER A 85 32.966 23.665 10.373 1.00 0.00 O ATOM 0 H SER A 85 34.156 22.115 8.600 1.00 0.00 H new ATOM 0 HA SER A 85 32.238 20.989 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.944 23.355 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.027 23.032 10.066 1.00 0.00 H new ATOM 0 HG SER A 85 32.701 24.608 10.413 1.00 0.00 H new ATOM 1211 N TYR A 86 32.088 20.573 7.298 1.00 0.00 N ATOM 1212 CA TYR A 86 31.400 19.914 6.192 1.00 0.00 C ATOM 1213 C TYR A 86 30.881 18.545 6.604 1.00 0.00 C ATOM 1214 O TYR A 86 29.736 18.198 6.319 1.00 0.00 O ATOM 1215 CB TYR A 86 32.350 19.773 4.997 1.00 0.00 C ATOM 1216 CG TYR A 86 31.769 19.016 3.825 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.913 17.636 3.724 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.085 19.678 2.817 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.385 16.941 2.656 1.00 0.00 C ATOM 1220 CE2 TYR A 86 30.553 18.989 1.746 1.00 0.00 C ATOM 1221 CZ TYR A 86 30.707 17.621 1.670 1.00 0.00 C ATOM 1222 OH TYR A 86 30.178 16.930 0.607 1.00 0.00 O ATOM 0 H TYR A 86 33.028 20.894 7.065 1.00 0.00 H new ATOM 0 HA TYR A 86 30.546 20.530 5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 86 32.644 20.768 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.257 19.267 5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.447 17.100 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 86 30.967 20.750 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.503 15.869 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.019 19.519 0.971 1.00 0.00 H new ATOM 0 HH TYR A 86 30.035 17.544 -0.143 1.00 0.00 H new ATOM 1232 N SER A 87 31.722 17.780 7.289 1.00 0.00 N ATOM 1233 CA SER A 87 31.360 16.436 7.713 1.00 0.00 C ATOM 1234 C SER A 87 30.139 16.449 8.632 1.00 0.00 C ATOM 1235 O SER A 87 29.325 15.526 8.613 1.00 0.00 O ATOM 1236 CB SER A 87 32.550 15.776 8.411 1.00 0.00 C ATOM 1237 OG SER A 87 33.702 15.809 7.581 1.00 0.00 O ATOM 0 H SER A 87 32.661 18.069 7.563 1.00 0.00 H new ATOM 0 HA SER A 87 31.097 15.858 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.758 16.290 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.305 14.744 8.660 1.00 0.00 H new ATOM 0 HG SER A 87 34.453 15.384 8.046 1.00 0.00 H new ATOM 1243 N ALA A 88 29.997 17.514 9.408 1.00 0.00 N ATOM 1244 CA ALA A 88 28.871 17.643 10.321 1.00 0.00 C ATOM 1245 C ALA A 88 27.613 18.021 9.551 1.00 0.00 C ATOM 1246 O ALA A 88 26.518 17.543 9.849 1.00 0.00 O ATOM 1247 CB ALA A 88 29.172 18.670 11.404 1.00 0.00 C ATOM 0 H ALA A 88 30.647 18.300 9.424 1.00 0.00 H new ATOM 0 HA ALA A 88 28.704 16.682 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.318 18.751 12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.050 18.356 11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.365 19.639 10.943 1.00 0.00 H new ATOM 1253 N VAL A 89 27.787 18.859 8.539 1.00 0.00 N ATOM 1254 CA VAL A 89 26.679 19.293 7.699 1.00 0.00 C ATOM 1255 C VAL A 89 26.180 18.129 6.850 1.00 0.00 C ATOM 1256 O VAL A 89 24.979 17.875 6.758 1.00 0.00 O ATOM 1257 CB VAL A 89 27.098 20.457 6.770 1.00 0.00 C ATOM 1258 CG1 VAL A 89 25.939 20.894 5.886 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.621 21.631 7.581 1.00 0.00 C ATOM 0 H VAL A 89 28.691 19.254 8.278 1.00 0.00 H new ATOM 0 HA VAL A 89 25.882 19.643 8.356 1.00 0.00 H new ATOM 0 HB VAL A 89 27.900 20.099 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.261 21.713 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.615 20.055 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.110 21.227 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 89 27.910 22.438 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 89 26.841 21.983 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.488 21.315 8.161 1.00 0.00 H new ATOM 1269 N LEU A 90 27.127 17.415 6.257 1.00 0.00 N ATOM 1270 CA LEU A 90 26.831 16.297 5.383 1.00 0.00 C ATOM 1271 C LEU A 90 26.036 15.221 6.124 1.00 0.00 C ATOM 1272 O LEU A 90 25.016 14.740 5.625 1.00 0.00 O ATOM 1273 CB LEU A 90 28.149 15.732 4.851 1.00 0.00 C ATOM 1274 CG LEU A 90 28.077 15.013 3.506 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.373 13.672 3.637 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.378 15.888 2.472 1.00 0.00 C ATOM 0 H LEU A 90 28.124 17.598 6.371 1.00 0.00 H new ATOM 0 HA LEU A 90 26.216 16.637 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.863 16.551 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.548 15.038 5.590 1.00 0.00 H new ATOM 0 HG LEU A 90 29.096 14.823 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.337 13.183 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.919 13.042 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.358 13.828 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.335 15.361 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.366 16.112 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 90 27.933 16.818 2.348 1.00 0.00 H new ATOM 1288 N ASN A 91 26.504 14.852 7.314 1.00 0.00 N ATOM 1289 CA ASN A 91 25.816 13.850 8.125 1.00 0.00 C ATOM 1290 C ASN A 91 24.403 14.304 8.463 1.00 0.00 C ATOM 1291 O ASN A 91 23.471 13.499 8.474 1.00 0.00 O ATOM 1292 CB ASN A 91 26.589 13.550 9.413 1.00 0.00 C ATOM 1293 CG ASN A 91 27.828 12.712 9.169 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.896 11.947 8.206 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.814 12.833 10.047 1.00 0.00 N ATOM 0 H ASN A 91 27.352 15.229 7.737 1.00 0.00 H new ATOM 0 HA ASN A 91 25.761 12.935 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 91 26.877 14.489 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 91 25.935 13.029 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.665 12.282 9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.721 13.477 10.832 1.00 0.00 H new ATOM 1302 N THR A 92 24.253 15.600 8.719 1.00 0.00 N ATOM 1303 CA THR A 92 22.950 16.182 9.009 1.00 0.00 C ATOM 1304 C THR A 92 22.006 16.000 7.820 1.00 0.00 C ATOM 1305 O THR A 92 20.871 15.553 7.981 1.00 0.00 O ATOM 1306 CB THR A 92 23.077 17.684 9.346 1.00 0.00 C ATOM 1307 OG1 THR A 92 23.928 17.861 10.488 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.719 18.309 9.630 1.00 0.00 C ATOM 0 H THR A 92 25.023 16.269 8.731 1.00 0.00 H new ATOM 0 HA THR A 92 22.539 15.664 9.875 1.00 0.00 H new ATOM 0 HB THR A 92 23.510 18.182 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 92 24.833 17.553 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 92 21.847 19.366 9.863 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.080 18.206 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.256 17.804 10.478 1.00 0.00 H new ATOM 1316 N ILE A 93 22.492 16.325 6.626 1.00 0.00 N ATOM 1317 CA ILE A 93 21.693 16.212 5.410 1.00 0.00 C ATOM 1318 C ILE A 93 21.182 14.788 5.213 1.00 0.00 C ATOM 1319 O ILE A 93 19.985 14.572 5.034 1.00 0.00 O ATOM 1320 CB ILE A 93 22.496 16.653 4.160 1.00 0.00 C ATOM 1321 CG1 ILE A 93 22.955 18.109 4.302 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.669 16.475 2.891 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.818 19.098 4.469 1.00 0.00 C ATOM 0 H ILE A 93 23.440 16.670 6.474 1.00 0.00 H new ATOM 0 HA ILE A 93 20.840 16.879 5.530 1.00 0.00 H new ATOM 0 HB ILE A 93 23.378 16.017 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.621 18.188 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.536 18.384 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.255 16.791 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.395 15.426 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.765 17.080 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.223 20.106 4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.163 19.050 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.249 18.851 5.365 1.00 0.00 H new ATOM 1335 N GLY A 94 22.092 13.822 5.268 1.00 0.00 N ATOM 1336 CA GLY A 94 21.716 12.434 5.062 1.00 0.00 C ATOM 1337 C GLY A 94 20.759 11.922 6.119 1.00 0.00 C ATOM 1338 O GLY A 94 19.795 11.217 5.813 1.00 0.00 O ATOM 0 H GLY A 94 23.084 13.974 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.255 12.329 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.614 11.816 5.061 1.00 0.00 H new ATOM 1342 N ALA A 95 21.017 12.295 7.360 1.00 0.00 N ATOM 1343 CA ALA A 95 20.204 11.851 8.481 1.00 0.00 C ATOM 1344 C ALA A 95 18.808 12.448 8.411 1.00 0.00 C ATOM 1345 O ALA A 95 17.818 11.727 8.438 1.00 0.00 O ATOM 1346 CB ALA A 95 20.866 12.213 9.802 1.00 0.00 C ATOM 0 H ALA A 95 21.789 12.909 7.619 1.00 0.00 H new ATOM 0 HA ALA A 95 20.116 10.766 8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.241 11.872 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.843 11.733 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.989 13.294 9.863 1.00 0.00 H new ATOM 1352 N CYS A 96 18.732 13.766 8.300 1.00 0.00 N ATOM 1353 CA CYS A 96 17.448 14.453 8.256 1.00 0.00 C ATOM 1354 C CYS A 96 16.620 13.994 7.061 1.00 0.00 C ATOM 1355 O CYS A 96 15.405 13.836 7.169 1.00 0.00 O ATOM 1356 CB CYS A 96 17.655 15.966 8.207 1.00 0.00 C ATOM 1357 SG CYS A 96 18.488 16.652 9.678 1.00 0.00 S ATOM 0 H CYS A 96 19.543 14.381 8.239 1.00 0.00 H new ATOM 0 HA CYS A 96 16.900 14.201 9.164 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.242 16.213 7.322 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.686 16.451 8.092 1.00 0.00 H new ATOM 1362 N LEU A 97 17.282 13.756 5.933 1.00 0.00 N ATOM 1363 CA LEU A 97 16.591 13.362 4.709 1.00 0.00 C ATOM 1364 C LEU A 97 15.907 12.007 4.880 1.00 0.00 C ATOM 1365 O LEU A 97 14.738 11.850 4.522 1.00 0.00 O ATOM 1366 CB LEU A 97 17.575 13.327 3.534 1.00 0.00 C ATOM 1367 CG LEU A 97 16.941 13.278 2.137 1.00 0.00 C ATOM 1368 CD1 LEU A 97 17.874 13.909 1.122 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.624 11.845 1.728 1.00 0.00 C ATOM 0 H LEU A 97 18.295 13.829 5.841 1.00 0.00 H new ATOM 0 HA LEU A 97 15.819 14.102 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.214 14.208 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.221 12.457 3.651 1.00 0.00 H new ATOM 0 HG LEU A 97 16.007 13.839 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 97 17.416 13.870 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 97 18.060 14.948 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 97 18.818 13.364 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.176 11.841 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 97 17.543 11.259 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 97 15.926 11.409 2.443 1.00 0.00 H new ATOM 1381 N ARG A 98 16.630 11.038 5.447 1.00 0.00 N ATOM 1382 CA ARG A 98 16.099 9.681 5.604 1.00 0.00 C ATOM 1383 C ARG A 98 14.867 9.688 6.513 1.00 0.00 C ATOM 1384 O ARG A 98 13.898 8.964 6.282 1.00 0.00 O ATOM 1385 CB ARG A 98 17.173 8.737 6.166 1.00 0.00 C ATOM 1386 CG ARG A 98 17.433 8.900 7.652 1.00 0.00 C ATOM 1387 CD ARG A 98 18.487 7.933 8.164 1.00 0.00 C ATOM 1388 NE ARG A 98 18.555 7.943 9.623 1.00 0.00 N ATOM 1389 CZ ARG A 98 19.584 7.477 10.334 1.00 0.00 C ATOM 1390 NH1 ARG A 98 20.663 6.999 9.717 1.00 0.00 N ATOM 1391 NH2 ARG A 98 19.539 7.498 11.660 1.00 0.00 N ATOM 0 H ARG A 98 17.577 11.166 5.803 1.00 0.00 H new ATOM 0 HA ARG A 98 15.803 9.316 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.872 7.707 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.105 8.903 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.754 9.922 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.504 8.744 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.259 6.926 7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.460 8.200 7.751 1.00 0.00 H new ATOM 0 HE ARG A 98 17.762 8.333 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.705 6.988 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.448 6.644 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.718 7.870 12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.326 7.142 12.203 1.00 0.00 H new ATOM 1405 N GLU A 99 14.918 10.524 7.535 1.00 0.00 N ATOM 1406 CA GLU A 99 13.805 10.683 8.461 1.00 0.00 C ATOM 1407 C GLU A 99 12.636 11.354 7.751 1.00 0.00 C ATOM 1408 O GLU A 99 11.499 10.884 7.800 1.00 0.00 O ATOM 1409 CB GLU A 99 14.219 11.550 9.656 1.00 0.00 C ATOM 1410 CG GLU A 99 15.527 11.141 10.312 1.00 0.00 C ATOM 1411 CD GLU A 99 15.456 9.797 11.005 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.743 9.687 12.026 1.00 0.00 O ATOM 1413 OE2 GLU A 99 16.121 8.848 10.545 1.00 0.00 O ATOM 0 H GLU A 99 15.726 11.110 7.748 1.00 0.00 H new ATOM 0 HA GLU A 99 13.511 9.695 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.302 12.585 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.427 11.517 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.311 11.111 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.814 11.901 11.038 1.00 0.00 H new ATOM 1420 N SER A 100 12.945 12.453 7.080 1.00 0.00 N ATOM 1421 CA SER A 100 11.941 13.273 6.412 1.00 0.00 C ATOM 1422 C SER A 100 11.071 12.469 5.443 1.00 0.00 C ATOM 1423 O SER A 100 9.855 12.662 5.398 1.00 0.00 O ATOM 1424 CB SER A 100 12.619 14.429 5.679 1.00 0.00 C ATOM 1425 OG SER A 100 13.288 15.280 6.593 1.00 0.00 O ATOM 0 H SER A 100 13.898 12.803 6.982 1.00 0.00 H new ATOM 0 HA SER A 100 11.277 13.663 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.330 14.037 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.875 14.999 5.122 1.00 0.00 H new ATOM 0 HG SER A 100 14.099 14.837 6.920 1.00 0.00 H new ATOM 1431 N MET A 101 11.677 11.563 4.678 1.00 0.00 N ATOM 1432 CA MET A 101 10.912 10.790 3.700 1.00 0.00 C ATOM 1433 C MET A 101 9.938 9.828 4.378 1.00 0.00 C ATOM 1434 O MET A 101 8.803 9.664 3.917 1.00 0.00 O ATOM 1435 CB MET A 101 11.812 10.031 2.712 1.00 0.00 C ATOM 1436 CG MET A 101 13.044 9.387 3.327 1.00 0.00 C ATOM 1437 SD MET A 101 13.725 8.060 2.312 1.00 0.00 S ATOM 1438 CE MET A 101 13.542 8.752 0.674 1.00 0.00 C ATOM 0 H MET A 101 12.674 11.348 4.713 1.00 0.00 H new ATOM 0 HA MET A 101 10.337 11.517 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 101 11.219 9.255 2.227 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.133 10.722 1.932 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.808 10.149 3.480 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.788 8.991 4.310 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.148 8.183 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.495 8.704 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.871 9.791 0.679 1.00 0.00 H new ATOM 1448 N MET A 102 10.355 9.212 5.481 1.00 0.00 N ATOM 1449 CA MET A 102 9.479 8.281 6.186 1.00 0.00 C ATOM 1450 C MET A 102 8.423 9.027 7.003 1.00 0.00 C ATOM 1451 O MET A 102 7.345 8.497 7.263 1.00 0.00 O ATOM 1452 CB MET A 102 10.280 7.327 7.078 1.00 0.00 C ATOM 1453 CG MET A 102 10.792 7.939 8.373 1.00 0.00 C ATOM 1454 SD MET A 102 11.745 6.763 9.352 1.00 0.00 S ATOM 1455 CE MET A 102 10.647 5.347 9.316 1.00 0.00 C ATOM 0 H MET A 102 11.277 9.337 5.900 1.00 0.00 H new ATOM 0 HA MET A 102 8.965 7.683 5.433 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.654 6.469 7.322 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.131 6.950 6.510 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.413 8.805 8.143 1.00 0.00 H new ATOM 0 HG3 MET A 102 9.948 8.299 8.961 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.858 4.701 10.168 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.613 5.687 9.366 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.801 4.790 8.392 1.00 0.00 H new ATOM 1465 N GLN A 103 8.733 10.260 7.403 1.00 0.00 N ATOM 1466 CA GLN A 103 7.755 11.099 8.093 1.00 0.00 C ATOM 1467 C GLN A 103 6.700 11.595 7.120 1.00 0.00 C ATOM 1468 O GLN A 103 5.595 11.972 7.516 1.00 0.00 O ATOM 1469 CB GLN A 103 8.426 12.287 8.786 1.00 0.00 C ATOM 1470 CG GLN A 103 8.666 12.065 10.272 1.00 0.00 C ATOM 1471 CD GLN A 103 9.550 10.867 10.569 1.00 0.00 C ATOM 1472 OE1 GLN A 103 9.074 9.737 10.678 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.838 11.111 10.739 1.00 0.00 N ATOM 0 H GLN A 103 9.644 10.696 7.263 1.00 0.00 H new ATOM 0 HA GLN A 103 7.277 10.486 8.857 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.379 12.491 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.805 13.173 8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.124 12.959 10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.706 11.931 10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.194 12.062 10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.475 10.349 10.969 1.00 0.00 H new ATOM 1482 N ALA A 104 7.052 11.601 5.843 1.00 0.00 N ATOM 1483 CA ALA A 104 6.118 11.965 4.798 1.00 0.00 C ATOM 1484 C ALA A 104 5.190 10.798 4.494 1.00 0.00 C ATOM 1485 O ALA A 104 3.983 10.889 4.707 1.00 0.00 O ATOM 1486 CB ALA A 104 6.867 12.395 3.545 1.00 0.00 C ATOM 0 H ALA A 104 7.984 11.356 5.508 1.00 0.00 H new ATOM 0 HA ALA A 104 5.516 12.806 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.152 12.666 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.496 13.255 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.490 11.573 3.194 1.00 0.00 H new ATOM 1492 N THR A 105 5.773 9.692 4.026 1.00 0.00 N ATOM 1493 CA THR A 105 5.006 8.505 3.637 1.00 0.00 C ATOM 1494 C THR A 105 5.862 7.551 2.799 1.00 0.00 C ATOM 1495 O THR A 105 5.549 6.366 2.672 1.00 0.00 O ATOM 1496 CB THR A 105 3.734 8.871 2.828 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.901 7.718 2.659 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.093 9.436 1.460 1.00 0.00 C ATOM 0 H THR A 105 6.781 9.593 3.906 1.00 0.00 H new ATOM 0 HA THR A 105 4.703 8.017 4.564 1.00 0.00 H new ATOM 0 HB THR A 105 3.195 9.633 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.460 6.915 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.180 9.683 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.696 10.336 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.660 8.694 0.898 1.00 0.00 H new ATOM 1506 N GLY A 106 6.954 8.072 2.240 1.00 0.00 N ATOM 1507 CA GLY A 106 7.766 7.300 1.319 1.00 0.00 C ATOM 1508 C GLY A 106 8.659 6.281 2.002 1.00 0.00 C ATOM 1509 O GLY A 106 9.403 5.565 1.327 1.00 0.00 O ATOM 0 H GLY A 106 7.290 9.020 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.112 6.784 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.386 7.981 0.736 1.00 0.00 H new ATOM 1513 N SER A 107 8.584 6.210 3.335 1.00 0.00 N ATOM 1514 CA SER A 107 9.432 5.322 4.116 1.00 0.00 C ATOM 1515 C SER A 107 10.898 5.713 3.930 1.00 0.00 C ATOM 1516 O SER A 107 11.190 6.819 3.484 1.00 0.00 O ATOM 1517 CB SER A 107 9.188 3.868 3.707 1.00 0.00 C ATOM 1518 OG SER A 107 7.833 3.500 3.917 1.00 0.00 O ATOM 0 H SER A 107 7.936 6.765 3.894 1.00 0.00 H new ATOM 0 HA SER A 107 9.184 5.418 5.173 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.446 3.734 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.840 3.211 4.282 1.00 0.00 H new ATOM 0 HG SER A 107 7.702 2.567 3.647 1.00 0.00 H new ATOM 1524 N VAL A 108 11.816 4.834 4.298 1.00 0.00 N ATOM 1525 CA VAL A 108 13.224 5.099 4.073 1.00 0.00 C ATOM 1526 C VAL A 108 13.739 4.200 2.962 1.00 0.00 C ATOM 1527 O VAL A 108 13.961 3.004 3.166 1.00 0.00 O ATOM 1528 CB VAL A 108 14.082 4.879 5.337 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.503 5.383 5.110 1.00 0.00 C ATOM 1530 CG2 VAL A 108 13.458 5.563 6.542 1.00 0.00 C ATOM 0 H VAL A 108 11.613 3.942 4.748 1.00 0.00 H new ATOM 0 HA VAL A 108 13.311 6.149 3.795 1.00 0.00 H new ATOM 0 HB VAL A 108 14.122 3.809 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.095 5.221 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 108 15.953 4.841 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.479 6.448 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.081 5.393 7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.381 6.634 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.463 5.153 6.718 1.00 0.00 H new ATOM 1540 N ASP A 109 13.877 4.762 1.779 1.00 0.00 N ATOM 1541 CA ASP A 109 14.408 4.021 0.648 1.00 0.00 C ATOM 1542 C ASP A 109 15.927 4.116 0.638 1.00 0.00 C ATOM 1543 O ASP A 109 16.489 5.214 0.651 1.00 0.00 O ATOM 1544 CB ASP A 109 13.829 4.547 -0.668 1.00 0.00 C ATOM 1545 CG ASP A 109 14.359 3.786 -1.866 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.769 2.745 -2.227 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.374 4.218 -2.437 1.00 0.00 O ATOM 0 H ASP A 109 13.629 5.730 1.573 1.00 0.00 H new ATOM 0 HA ASP A 109 14.118 2.975 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.742 4.471 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.072 5.604 -0.774 1.00 0.00 H new ATOM 1552 N ASN A 110 16.588 2.967 0.617 1.00 0.00 N ATOM 1553 CA ASN A 110 18.043 2.912 0.744 1.00 0.00 C ATOM 1554 C ASN A 110 18.748 3.171 -0.582 1.00 0.00 C ATOM 1555 O ASN A 110 19.976 3.191 -0.641 1.00 0.00 O ATOM 1556 CB ASN A 110 18.487 1.560 1.309 1.00 0.00 C ATOM 1557 CG ASN A 110 18.394 1.495 2.823 1.00 0.00 C ATOM 1558 OD1 ASN A 110 19.345 1.839 3.526 1.00 0.00 O ATOM 1559 ND2 ASN A 110 17.263 1.037 3.340 1.00 0.00 N ATOM 0 H ASN A 110 16.141 2.056 0.513 1.00 0.00 H new ATOM 0 HA ASN A 110 18.328 3.705 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.871 0.771 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.515 1.364 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.159 0.960 4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 110 16.496 0.761 2.726 1.00 0.00 H new ATOM 1566 N ALA A 111 17.984 3.372 -1.641 1.00 0.00 N ATOM 1567 CA ALA A 111 18.567 3.679 -2.936 1.00 0.00 C ATOM 1568 C ALA A 111 18.550 5.181 -3.176 1.00 0.00 C ATOM 1569 O ALA A 111 19.570 5.771 -3.519 1.00 0.00 O ATOM 1570 CB ALA A 111 17.828 2.948 -4.045 1.00 0.00 C ATOM 0 H ALA A 111 16.965 3.329 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 111 19.603 3.339 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.281 3.192 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.891 1.873 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.782 3.254 -4.049 1.00 0.00 H new ATOM 1576 N PHE A 112 17.387 5.791 -2.971 1.00 0.00 N ATOM 1577 CA PHE A 112 17.219 7.228 -3.160 1.00 0.00 C ATOM 1578 C PHE A 112 18.124 8.015 -2.218 1.00 0.00 C ATOM 1579 O PHE A 112 18.830 8.930 -2.645 1.00 0.00 O ATOM 1580 CB PHE A 112 15.756 7.628 -2.940 1.00 0.00 C ATOM 1581 CG PHE A 112 15.496 9.092 -3.149 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.494 9.630 -4.424 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.260 9.932 -2.069 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.258 10.974 -4.623 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.024 11.278 -2.263 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.023 11.800 -3.541 1.00 0.00 C ATOM 0 H PHE A 112 16.540 5.308 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 112 17.502 7.467 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.125 7.055 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.462 7.356 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.680 8.989 -5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.261 9.528 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.257 11.380 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.840 11.922 -1.416 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.839 12.853 -3.695 1.00 0.00 H new ATOM 1596 N THR A 113 18.105 7.652 -0.938 1.00 0.00 N ATOM 1597 CA THR A 113 18.930 8.323 0.062 1.00 0.00 C ATOM 1598 C THR A 113 20.408 8.231 -0.311 1.00 0.00 C ATOM 1599 O THR A 113 21.145 9.215 -0.253 1.00 0.00 O ATOM 1600 CB THR A 113 18.704 7.715 1.467 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.814 6.287 1.406 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.337 8.101 2.012 1.00 0.00 C ATOM 0 H THR A 113 17.527 6.897 -0.569 1.00 0.00 H new ATOM 0 HA THR A 113 18.635 9.372 0.087 1.00 0.00 H new ATOM 0 HB THR A 113 19.468 8.110 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.939 5.900 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.202 7.662 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.268 9.186 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.561 7.732 1.342 1.00 0.00 H new ATOM 1610 N ASN A 114 20.811 7.041 -0.729 1.00 0.00 N ATOM 1611 CA ASN A 114 22.184 6.771 -1.142 1.00 0.00 C ATOM 1612 C ASN A 114 22.550 7.533 -2.418 1.00 0.00 C ATOM 1613 O ASN A 114 23.670 8.033 -2.557 1.00 0.00 O ATOM 1614 CB ASN A 114 22.357 5.259 -1.336 1.00 0.00 C ATOM 1615 CG ASN A 114 23.584 4.882 -2.138 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.695 4.822 -1.610 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.382 4.585 -3.411 1.00 0.00 N ATOM 0 H ASN A 114 20.195 6.231 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 114 22.862 7.119 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.413 4.781 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.473 4.863 -1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.164 4.292 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.444 4.649 -3.807 1.00 0.00 H new ATOM 1624 N GLU A 115 21.599 7.633 -3.337 1.00 0.00 N ATOM 1625 CA GLU A 115 21.792 8.301 -4.593 1.00 0.00 C ATOM 1626 C GLU A 115 21.999 9.801 -4.382 1.00 0.00 C ATOM 1627 O GLU A 115 22.983 10.376 -4.853 1.00 0.00 O ATOM 1628 CB GLU A 115 20.565 8.022 -5.449 1.00 0.00 C ATOM 1629 CG GLU A 115 20.647 8.596 -6.826 1.00 0.00 C ATOM 1630 CD GLU A 115 19.506 8.137 -7.708 1.00 0.00 C ATOM 1631 OE1 GLU A 115 18.401 8.711 -7.614 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.701 7.183 -8.493 1.00 0.00 O ATOM 0 H GLU A 115 20.664 7.243 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 115 22.687 7.931 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.423 6.944 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.685 8.426 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.641 9.684 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.594 8.308 -7.282 1.00 0.00 H new ATOM 1639 N VAL A 116 21.078 10.420 -3.650 1.00 0.00 N ATOM 1640 CA VAL A 116 21.156 11.848 -3.362 1.00 0.00 C ATOM 1641 C VAL A 116 22.421 12.177 -2.570 1.00 0.00 C ATOM 1642 O VAL A 116 23.102 13.159 -2.861 1.00 0.00 O ATOM 1643 CB VAL A 116 19.914 12.330 -2.579 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.018 13.811 -2.249 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.648 12.052 -3.372 1.00 0.00 C ATOM 0 H VAL A 116 20.267 9.953 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 116 21.190 12.370 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 116 19.869 11.777 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.131 14.124 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.905 13.987 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.093 14.385 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.782 12.397 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.693 12.578 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.560 10.981 -3.553 1.00 0.00 H new ATOM 1655 N MET A 117 22.746 11.332 -1.592 1.00 0.00 N ATOM 1656 CA MET A 117 23.894 11.533 -0.740 1.00 0.00 C ATOM 1657 C MET A 117 25.172 11.676 -1.559 1.00 0.00 C ATOM 1658 O MET A 117 25.908 12.646 -1.392 1.00 0.00 O ATOM 1659 CB MET A 117 23.993 10.352 0.219 1.00 0.00 C ATOM 1660 CG MET A 117 25.101 10.480 1.232 1.00 0.00 C ATOM 1661 SD MET A 117 24.599 11.271 2.786 1.00 0.00 S ATOM 1662 CE MET A 117 24.102 12.906 2.240 1.00 0.00 C ATOM 0 H MET A 117 22.213 10.490 -1.376 1.00 0.00 H new ATOM 0 HA MET A 117 23.772 12.459 -0.178 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.044 10.243 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.145 9.440 -0.358 1.00 0.00 H new ATOM 0 HG2 MET A 117 25.493 9.487 1.453 1.00 0.00 H new ATOM 0 HG3 MET A 117 25.916 11.054 0.792 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.098 13.588 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.804 13.268 1.489 1.00 0.00 H new ATOM 0 HE3 MET A 117 23.102 12.857 1.809 1.00 0.00 H new ATOM 1672 N GLN A 118 25.412 10.727 -2.457 1.00 0.00 N ATOM 1673 CA GLN A 118 26.598 10.760 -3.308 1.00 0.00 C ATOM 1674 C GLN A 118 26.661 12.058 -4.105 1.00 0.00 C ATOM 1675 O GLN A 118 27.689 12.735 -4.130 1.00 0.00 O ATOM 1676 CB GLN A 118 26.595 9.569 -4.267 1.00 0.00 C ATOM 1677 CG GLN A 118 27.715 9.610 -5.296 1.00 0.00 C ATOM 1678 CD GLN A 118 27.601 8.512 -6.329 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.504 8.047 -6.645 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.731 8.098 -6.873 1.00 0.00 N ATOM 0 H GLN A 118 24.802 9.925 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 118 27.476 10.703 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.678 8.648 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.637 9.534 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.706 10.577 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.674 9.525 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.618 8.510 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.717 7.366 -7.584 1.00 0.00 H new ATOM 1689 N LEU A 119 25.552 12.401 -4.743 1.00 0.00 N ATOM 1690 CA LEU A 119 25.481 13.589 -5.578 1.00 0.00 C ATOM 1691 C LEU A 119 25.726 14.857 -4.767 1.00 0.00 C ATOM 1692 O LEU A 119 26.480 15.729 -5.195 1.00 0.00 O ATOM 1693 CB LEU A 119 24.127 13.649 -6.277 1.00 0.00 C ATOM 1694 CG LEU A 119 23.931 12.617 -7.389 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.457 12.276 -7.552 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.501 13.137 -8.700 1.00 0.00 C ATOM 0 H LEU A 119 24.683 11.868 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 119 26.268 13.527 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.343 13.512 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.996 14.646 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 119 24.465 11.708 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.340 11.540 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 119 22.073 11.865 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.901 13.178 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.354 12.392 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.991 14.060 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.567 13.333 -8.581 1.00 0.00 H new ATOM 1708 N VAL A 120 25.108 14.952 -3.594 1.00 0.00 N ATOM 1709 CA VAL A 120 25.300 16.109 -2.725 1.00 0.00 C ATOM 1710 C VAL A 120 26.770 16.252 -2.339 1.00 0.00 C ATOM 1711 O VAL A 120 27.336 17.337 -2.423 1.00 0.00 O ATOM 1712 CB VAL A 120 24.433 16.030 -1.444 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.759 17.175 -0.492 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.954 16.049 -1.797 1.00 0.00 C ATOM 0 H VAL A 120 24.472 14.245 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 120 24.983 16.985 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 120 24.663 15.090 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.136 17.096 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.810 17.123 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.565 18.126 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.361 15.993 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.718 16.972 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.721 15.196 -2.434 1.00 0.00 H new ATOM 1724 N LYS A 121 27.384 15.147 -1.945 1.00 0.00 N ATOM 1725 CA LYS A 121 28.785 15.142 -1.528 1.00 0.00 C ATOM 1726 C LYS A 121 29.712 15.529 -2.679 1.00 0.00 C ATOM 1727 O LYS A 121 30.676 16.278 -2.504 1.00 0.00 O ATOM 1728 CB LYS A 121 29.151 13.753 -1.006 1.00 0.00 C ATOM 1729 CG LYS A 121 28.362 13.359 0.228 1.00 0.00 C ATOM 1730 CD LYS A 121 28.421 11.864 0.503 1.00 0.00 C ATOM 1731 CE LYS A 121 29.821 11.408 0.885 1.00 0.00 C ATOM 1732 NZ LYS A 121 29.866 9.950 1.174 1.00 0.00 N ATOM 0 H LYS A 121 26.933 14.233 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 121 28.912 15.882 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.978 13.018 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.216 13.727 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.750 13.900 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.322 13.662 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.727 11.616 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 121 28.092 11.320 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.513 11.640 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.158 11.963 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 30.836 9.677 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 29.225 9.733 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.569 9.420 0.330 1.00 0.00 H new ATOM 1746 N MET A 122 29.401 15.019 -3.855 1.00 0.00 N ATOM 1747 CA MET A 122 30.228 15.228 -5.033 1.00 0.00 C ATOM 1748 C MET A 122 30.073 16.633 -5.606 1.00 0.00 C ATOM 1749 O MET A 122 31.049 17.250 -6.026 1.00 0.00 O ATOM 1750 CB MET A 122 29.871 14.179 -6.088 1.00 0.00 C ATOM 1751 CG MET A 122 30.465 14.442 -7.459 1.00 0.00 C ATOM 1752 SD MET A 122 29.993 13.182 -8.659 1.00 0.00 S ATOM 1753 CE MET A 122 28.202 13.246 -8.549 1.00 0.00 C ATOM 0 H MET A 122 28.571 14.450 -4.023 1.00 0.00 H new ATOM 0 HA MET A 122 31.272 15.122 -4.738 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.208 13.202 -5.741 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.786 14.128 -6.179 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.138 15.419 -7.813 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.552 14.478 -7.381 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.769 12.992 -9.516 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.858 12.534 -7.799 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.891 14.251 -8.265 1.00 0.00 H new ATOM 1763 N LEU A 123 28.855 17.143 -5.603 1.00 0.00 N ATOM 1764 CA LEU A 123 28.571 18.426 -6.229 1.00 0.00 C ATOM 1765 C LEU A 123 28.811 19.579 -5.260 1.00 0.00 C ATOM 1766 O LEU A 123 28.545 20.737 -5.580 1.00 0.00 O ATOM 1767 CB LEU A 123 27.127 18.456 -6.744 1.00 0.00 C ATOM 1768 CG LEU A 123 26.794 17.394 -7.796 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.303 17.386 -8.096 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.592 17.634 -9.068 1.00 0.00 C ATOM 0 H LEU A 123 28.046 16.691 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 123 29.252 18.548 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.452 18.331 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.928 19.441 -7.168 1.00 0.00 H new ATOM 0 HG LEU A 123 27.069 16.418 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.087 16.625 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.749 17.164 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 123 25.003 18.363 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 123 27.342 16.870 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.349 18.618 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.658 17.587 -8.843 1.00 0.00 H new ATOM 1782 N SER A 124 29.334 19.269 -4.081 1.00 0.00 N ATOM 1783 CA SER A 124 29.592 20.296 -3.084 1.00 0.00 C ATOM 1784 C SER A 124 31.086 20.504 -2.894 1.00 0.00 C ATOM 1785 O SER A 124 31.617 21.587 -3.160 1.00 0.00 O ATOM 1786 CB SER A 124 28.940 19.931 -1.749 1.00 0.00 C ATOM 1787 OG SER A 124 29.304 18.622 -1.344 1.00 0.00 O ATOM 0 H SER A 124 29.586 18.323 -3.794 1.00 0.00 H new ATOM 0 HA SER A 124 29.155 21.227 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.241 20.648 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 124 27.856 19.999 -1.840 1.00 0.00 H new ATOM 0 HG SER A 124 28.541 18.019 -1.462 1.00 0.00 H new ATOM 1793 N ALA A 125 31.766 19.450 -2.471 1.00 0.00 N ATOM 1794 CA ALA A 125 33.170 19.537 -2.138 1.00 0.00 C ATOM 1795 C ALA A 125 34.035 19.416 -3.375 1.00 0.00 C ATOM 1796 O ALA A 125 34.365 18.321 -3.834 1.00 0.00 O ATOM 1797 CB ALA A 125 33.550 18.492 -1.113 1.00 0.00 C ATOM 0 H ALA A 125 31.361 18.521 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 125 33.346 20.520 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.611 18.580 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 125 32.966 18.643 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.347 17.499 -1.514 1.00 0.00 H new