USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 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 67 ASN : amide:sc= 0.104 K(o=0.15,f=-0.47) USER MOD Set 1.2: A 68 THR OG1 : rot 6:sc= 0.0494 USER MOD Set 2.1: A 54 MET CE :methyl -150:sc= -0.227 (180deg=-2.32) USER MOD Set 2.2: A 66 MET CE :methyl -119:sc= -0.125 (180deg=-1.75!) USER MOD Set 3.1: A 40 MET CE :methyl 178:sc= -1.75 (180deg=-1.75) USER MOD Set 3.2: A 43 MET CE :methyl 129:sc= -0.305 (180deg=-1.06) USER MOD Set 4.1: A 36 GLN : amide:sc= 1.26 K(o=1.2,f=-4.1!) USER MOD Set 4.2: A 81 SER OG : rot 79:sc= -0.0821 USER MOD Set 5.1: A 18 MET CE :methyl 180:sc= -0.102 (180deg=-0.102) USER MOD Set 5.2: A 70 MET CE :methyl 173:sc= -0.0341 (180deg=-0.0599) USER MOD Set 6.1: A 16 MET CE :methyl 180:sc= -3.4! (180deg=-3.4!) USER MOD Set 6.2: A 19 THR OG1 : rot 80:sc= 0.88 USER MOD Set 6.3: A 48 ASN :FLIP amide:sc= -0.11 F(o=-4.1!,f=-2.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.258 K(o=-0.26,f=-7!) USER MOD Single : A 13 ASN : amide:sc= -0.54! X(o=-0.54!,f=-0.077) USER MOD Single : A 17 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 20 ASN : amide:sc= 1.21 K(o=1.2,f=-0.062) USER MOD Single : A 21 ASN : amide:sc= -0.598 K(o=-0.6,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= -0.768 K(o=-0.77,f=-2.1!) USER MOD Single : A 27 SER OG : rot 26:sc= 0.205 USER MOD Single : A 29 SER OG : rot -74:sc= 1.62 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.778 USER MOD Single : A 37 MET CE :methyl -170:sc= -0.243 (180deg=-0.471) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.13 (180deg=-0.812) USER MOD Single : A 46 SER OG : rot -147:sc= 1.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.2) USER MOD Single : A 51 MET CE :methyl -170:sc= -0.399 (180deg=-0.561) USER MOD Single : A 52 GLN : amide:sc= 0.238 X(o=0.24,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.84) USER MOD Single : A 80 THR OG1 : rot 69:sc= 0.781 USER MOD Single : A 84 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.75) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.76) USER MOD Single : A 92 THR OG1 : rot 71:sc= 0.951 USER MOD Single : A 100 SER OG : rot -70:sc= 0.478 USER MOD Single : A 101 MET CE :methyl -155:sc= -0.226 (180deg=-1.08) USER MOD Single : A 102 MET CE :methyl -154:sc= -0.447 (180deg=-1.7!) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.204 F(o=-0.82,f=-0.2) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.18) USER MOD Single : A 113 THR OG1 : rot 0:sc= 0.635 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 117 MET CE :methyl -166:sc= -1.48 (180deg=-2.52!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 147:sc= -1.57 (180deg=-2.31) USER MOD Single : A 124 SER OG : rot 13:sc= -0.116 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.708 8.114 -3.821 1.00 0.00 N ATOM 82 CA ILE A 8 8.021 9.052 -2.945 1.00 0.00 C ATOM 83 C ILE A 8 7.419 10.201 -3.749 1.00 0.00 C ATOM 84 O ILE A 8 6.421 10.801 -3.344 1.00 0.00 O ATOM 85 CB ILE A 8 8.957 9.600 -1.842 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.190 10.557 -0.921 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.167 10.294 -2.456 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.952 10.958 0.321 1.00 0.00 C ATOM 0 HA ILE A 8 7.215 8.506 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 8 9.317 8.761 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.931 11.455 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.253 10.086 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.812 10.672 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.723 9.583 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.833 11.124 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.342 11.635 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.188 10.069 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.876 11.460 0.035 1.00 0.00 H new ATOM 100 N TRP A 9 8.020 10.501 -4.898 1.00 0.00 N ATOM 101 CA TRP A 9 7.449 11.481 -5.808 1.00 0.00 C ATOM 102 C TRP A 9 6.240 10.869 -6.507 1.00 0.00 C ATOM 103 O TRP A 9 6.319 10.446 -7.654 1.00 0.00 O ATOM 104 CB TRP A 9 8.465 11.948 -6.857 1.00 0.00 C ATOM 105 CG TRP A 9 9.771 12.433 -6.297 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.908 11.699 -6.121 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.079 13.763 -5.860 1.00 0.00 C ATOM 108 NE1 TRP A 9 11.903 12.489 -5.600 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.419 13.759 -5.430 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.356 14.960 -5.793 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.046 14.901 -4.938 1.00 0.00 C ATOM 112 CZ3 TRP A 9 9.981 16.091 -5.302 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.314 16.055 -4.883 1.00 0.00 C ATOM 0 H TRP A 9 8.894 10.082 -5.216 1.00 0.00 H new ATOM 0 HA TRP A 9 7.152 12.352 -5.224 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.663 11.124 -7.542 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.017 12.750 -7.444 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.010 10.650 -6.357 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.849 12.180 -5.376 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.327 14.999 -6.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.075 14.876 -4.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.430 17.018 -5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 9 11.775 16.957 -4.508 1.00 0.00 H new ATOM 124 N THR A 10 5.157 10.740 -5.762 1.00 0.00 N ATOM 125 CA THR A 10 3.916 10.212 -6.284 1.00 0.00 C ATOM 126 C THR A 10 2.748 11.113 -5.868 1.00 0.00 C ATOM 127 O THR A 10 1.614 10.957 -6.325 1.00 0.00 O ATOM 128 CB THR A 10 3.706 8.782 -5.754 1.00 0.00 C ATOM 129 OG1 THR A 10 4.911 8.025 -5.933 1.00 0.00 O ATOM 130 CG2 THR A 10 2.571 8.089 -6.475 1.00 0.00 C ATOM 0 H THR A 10 5.116 11.000 -4.776 1.00 0.00 H new ATOM 0 HA THR A 10 3.961 10.185 -7.373 1.00 0.00 H new ATOM 0 HB THR A 10 3.453 8.846 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.779 7.115 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.449 7.082 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.649 8.652 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.796 8.034 -7.540 1.00 0.00 H new ATOM 138 N ASN A 11 3.055 12.079 -5.011 1.00 0.00 N ATOM 139 CA ASN A 11 2.063 12.997 -4.480 1.00 0.00 C ATOM 140 C ASN A 11 2.762 14.282 -4.064 1.00 0.00 C ATOM 141 O ASN A 11 3.681 14.254 -3.242 1.00 0.00 O ATOM 142 CB ASN A 11 1.333 12.361 -3.285 1.00 0.00 C ATOM 143 CG ASN A 11 0.206 13.219 -2.723 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.255 14.449 -2.740 1.00 0.00 O ATOM 145 ND2 ASN A 11 -0.826 12.566 -2.216 1.00 0.00 N ATOM 0 H ASN A 11 4.000 12.246 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 11 1.318 13.221 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.925 11.398 -3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.056 12.164 -2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.613 13.082 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.835 11.546 -2.218 1.00 0.00 H new ATOM 152 N PRO A 12 2.357 15.416 -4.656 1.00 0.00 N ATOM 153 CA PRO A 12 2.937 16.729 -4.360 1.00 0.00 C ATOM 154 C PRO A 12 3.031 17.019 -2.866 1.00 0.00 C ATOM 155 O PRO A 12 4.077 17.443 -2.372 1.00 0.00 O ATOM 156 CB PRO A 12 1.966 17.702 -5.028 1.00 0.00 C ATOM 157 CG PRO A 12 1.381 16.930 -6.156 1.00 0.00 C ATOM 158 CD PRO A 12 1.308 15.502 -5.690 1.00 0.00 C ATOM 0 HA PRO A 12 3.963 16.802 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.195 18.034 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.481 18.595 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.391 17.307 -6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.999 17.017 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.325 15.263 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.493 14.804 -6.507 1.00 0.00 H new ATOM 166 N ASN A 13 1.943 16.762 -2.151 1.00 0.00 N ATOM 167 CA ASN A 13 1.881 17.035 -0.721 1.00 0.00 C ATOM 168 C ASN A 13 2.906 16.177 0.015 1.00 0.00 C ATOM 169 O ASN A 13 3.573 16.643 0.936 1.00 0.00 O ATOM 170 CB ASN A 13 0.467 16.753 -0.192 1.00 0.00 C ATOM 171 CG ASN A 13 0.158 17.408 1.154 1.00 0.00 C ATOM 172 OD1 ASN A 13 -0.990 17.756 1.424 1.00 0.00 O ATOM 173 ND2 ASN A 13 1.159 17.582 2.007 1.00 0.00 N ATOM 0 H ASN A 13 1.089 16.363 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 13 2.113 18.086 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.259 17.100 -0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.335 15.675 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.986 18.015 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.101 17.283 1.755 1.00 0.00 H new ATOM 180 N ALA A 14 3.044 14.934 -0.421 1.00 0.00 N ATOM 181 CA ALA A 14 3.964 13.993 0.206 1.00 0.00 C ATOM 182 C ALA A 14 5.416 14.401 -0.023 1.00 0.00 C ATOM 183 O ALA A 14 6.207 14.490 0.918 1.00 0.00 O ATOM 184 CB ALA A 14 3.722 12.597 -0.339 1.00 0.00 C ATOM 0 H ALA A 14 2.527 14.550 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 14 3.780 14.001 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.412 11.898 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.697 12.295 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.883 12.594 -1.417 1.00 0.00 H new ATOM 190 N ALA A 15 5.752 14.655 -1.278 1.00 0.00 N ATOM 191 CA ALA A 15 7.111 15.016 -1.658 1.00 0.00 C ATOM 192 C ALA A 15 7.537 16.333 -1.022 1.00 0.00 C ATOM 193 O ALA A 15 8.677 16.485 -0.575 1.00 0.00 O ATOM 194 CB ALA A 15 7.223 15.094 -3.169 1.00 0.00 C ATOM 0 H ALA A 15 5.096 14.617 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 15 7.783 14.241 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.242 15.364 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.975 14.125 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.533 15.848 -3.547 1.00 0.00 H new ATOM 200 N MET A 16 6.624 17.290 -0.976 1.00 0.00 N ATOM 201 CA MET A 16 6.908 18.567 -0.353 1.00 0.00 C ATOM 202 C MET A 16 7.078 18.409 1.160 1.00 0.00 C ATOM 203 O MET A 16 7.798 19.183 1.791 1.00 0.00 O ATOM 204 CB MET A 16 5.798 19.561 -0.685 1.00 0.00 C ATOM 205 CG MET A 16 6.246 20.731 -1.543 1.00 0.00 C ATOM 206 SD MET A 16 7.489 21.776 -0.752 1.00 0.00 S ATOM 207 CE MET A 16 8.989 21.203 -1.547 1.00 0.00 C ATOM 0 H MET A 16 5.684 17.205 -1.362 1.00 0.00 H new ATOM 0 HA MET A 16 7.848 18.953 -0.748 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.995 19.033 -1.200 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.380 19.946 0.245 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.649 20.349 -2.481 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.378 21.340 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.842 21.759 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.125 20.141 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.913 21.360 -2.623 1.00 0.00 H new ATOM 217 N THR A 17 6.445 17.385 1.733 1.00 0.00 N ATOM 218 CA THR A 17 6.567 17.110 3.161 1.00 0.00 C ATOM 219 C THR A 17 8.016 16.797 3.534 1.00 0.00 C ATOM 220 O THR A 17 8.586 17.436 4.420 1.00 0.00 O ATOM 221 CB THR A 17 5.655 15.938 3.596 1.00 0.00 C ATOM 222 OG1 THR A 17 4.279 16.295 3.426 1.00 0.00 O ATOM 223 CG2 THR A 17 5.900 15.554 5.050 1.00 0.00 C ATOM 0 H THR A 17 5.843 16.734 1.229 1.00 0.00 H new ATOM 0 HA THR A 17 6.247 18.009 3.688 1.00 0.00 H new ATOM 0 HB THR A 17 5.895 15.081 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.029 16.193 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.244 14.728 5.324 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.939 15.249 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.693 16.410 5.692 1.00 0.00 H new ATOM 231 N MET A 18 8.621 15.838 2.836 1.00 0.00 N ATOM 232 CA MET A 18 9.992 15.437 3.141 1.00 0.00 C ATOM 233 C MET A 18 10.950 16.607 2.943 1.00 0.00 C ATOM 234 O MET A 18 11.887 16.786 3.717 1.00 0.00 O ATOM 235 CB MET A 18 10.440 14.251 2.278 1.00 0.00 C ATOM 236 CG MET A 18 10.579 14.584 0.806 1.00 0.00 C ATOM 237 SD MET A 18 11.386 13.286 -0.133 1.00 0.00 S ATOM 238 CE MET A 18 11.412 14.037 -1.754 1.00 0.00 C ATOM 0 H MET A 18 8.189 15.330 2.064 1.00 0.00 H new ATOM 0 HA MET A 18 10.013 15.126 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.397 13.884 2.650 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.721 13.439 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.590 14.768 0.386 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.147 15.508 0.700 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.884 13.357 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.391 14.244 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.976 14.969 -1.714 1.00 0.00 H new ATOM 248 N THR A 19 10.693 17.413 1.919 1.00 0.00 N ATOM 249 CA THR A 19 11.544 18.550 1.614 1.00 0.00 C ATOM 250 C THR A 19 11.525 19.561 2.763 1.00 0.00 C ATOM 251 O THR A 19 12.568 20.073 3.171 1.00 0.00 O ATOM 252 CB THR A 19 11.093 19.231 0.312 1.00 0.00 C ATOM 253 OG1 THR A 19 10.852 18.236 -0.697 1.00 0.00 O ATOM 254 CG2 THR A 19 12.155 20.196 -0.187 1.00 0.00 C ATOM 0 H THR A 19 9.901 17.297 1.287 1.00 0.00 H new ATOM 0 HA THR A 19 12.562 18.184 1.484 1.00 0.00 H new ATOM 0 HB THR A 19 10.177 19.786 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.968 17.837 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.815 20.666 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.333 20.963 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.080 19.652 -0.377 1.00 0.00 H new ATOM 262 N ASN A 20 10.336 19.820 3.301 1.00 0.00 N ATOM 263 CA ASN A 20 10.190 20.740 4.423 1.00 0.00 C ATOM 264 C ASN A 20 10.796 20.148 5.690 1.00 0.00 C ATOM 265 O ASN A 20 11.442 20.853 6.465 1.00 0.00 O ATOM 266 CB ASN A 20 8.717 21.085 4.661 1.00 0.00 C ATOM 267 CG ASN A 20 8.207 22.170 3.732 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.315 23.357 4.034 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.640 21.776 2.604 1.00 0.00 N ATOM 0 H ASN A 20 9.462 19.406 2.978 1.00 0.00 H new ATOM 0 HA ASN A 20 10.725 21.656 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.113 20.187 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.587 21.408 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.274 22.467 1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.569 20.781 2.389 1.00 0.00 H new ATOM 276 N ASN A 21 10.595 18.847 5.889 1.00 0.00 N ATOM 277 CA ASN A 21 11.144 18.154 7.049 1.00 0.00 C ATOM 278 C ASN A 21 12.667 18.215 7.044 1.00 0.00 C ATOM 279 O ASN A 21 13.294 18.315 8.097 1.00 0.00 O ATOM 280 CB ASN A 21 10.690 16.693 7.077 1.00 0.00 C ATOM 281 CG ASN A 21 9.238 16.520 7.474 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.684 17.317 8.231 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.615 15.464 6.972 1.00 0.00 N ATOM 0 H ASN A 21 10.055 18.252 5.260 1.00 0.00 H new ATOM 0 HA ASN A 21 10.771 18.657 7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.844 16.254 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.318 16.139 7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.639 15.287 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.111 14.828 6.348 1.00 0.00 H new ATOM 290 N LEU A 22 13.253 18.154 5.854 1.00 0.00 N ATOM 291 CA LEU A 22 14.699 18.260 5.703 1.00 0.00 C ATOM 292 C LEU A 22 15.180 19.607 6.223 1.00 0.00 C ATOM 293 O LEU A 22 16.111 19.682 7.028 1.00 0.00 O ATOM 294 CB LEU A 22 15.094 18.099 4.230 1.00 0.00 C ATOM 295 CG LEU A 22 16.586 18.270 3.928 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.402 17.168 4.582 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.822 18.295 2.426 1.00 0.00 C ATOM 0 H LEU A 22 12.747 18.031 4.977 1.00 0.00 H new ATOM 0 HA LEU A 22 15.169 17.465 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.784 17.110 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.535 18.826 3.640 1.00 0.00 H new ATOM 0 HG LEU A 22 16.913 19.222 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.458 17.312 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.258 17.200 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.077 16.200 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.887 18.417 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.476 17.359 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.273 19.127 1.985 1.00 0.00 H new ATOM 309 N VAL A 23 14.518 20.664 5.772 1.00 0.00 N ATOM 310 CA VAL A 23 14.874 22.019 6.164 1.00 0.00 C ATOM 311 C VAL A 23 14.664 22.229 7.661 1.00 0.00 C ATOM 312 O VAL A 23 15.532 22.771 8.342 1.00 0.00 O ATOM 313 CB VAL A 23 14.057 23.070 5.378 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.476 24.484 5.757 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.207 22.854 3.881 1.00 0.00 C ATOM 0 H VAL A 23 13.727 20.607 5.131 1.00 0.00 H new ATOM 0 HA VAL A 23 15.930 22.151 5.929 1.00 0.00 H new ATOM 0 HB VAL A 23 13.007 22.946 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.885 25.203 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.310 24.639 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.533 24.623 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.625 23.603 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.257 22.944 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.847 21.859 3.619 1.00 0.00 H new ATOM 325 N GLN A 24 13.527 21.772 8.176 1.00 0.00 N ATOM 326 CA GLN A 24 13.204 21.975 9.585 1.00 0.00 C ATOM 327 C GLN A 24 14.167 21.189 10.477 1.00 0.00 C ATOM 328 O GLN A 24 14.524 21.640 11.563 1.00 0.00 O ATOM 329 CB GLN A 24 11.732 21.606 9.869 1.00 0.00 C ATOM 330 CG GLN A 24 11.425 20.113 9.907 1.00 0.00 C ATOM 331 CD GLN A 24 11.655 19.496 11.274 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.516 20.158 12.299 1.00 0.00 O ATOM 333 NE2 GLN A 24 12.011 18.223 11.295 1.00 0.00 N ATOM 0 H GLN A 24 12.820 21.263 7.645 1.00 0.00 H new ATOM 0 HA GLN A 24 13.326 23.032 9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.444 22.043 10.825 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.106 22.069 9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.388 19.953 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.048 19.601 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.116 17.708 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.181 17.756 12.186 1.00 0.00 H new ATOM 342 N CYS A 25 14.607 20.032 9.993 1.00 0.00 N ATOM 343 CA CYS A 25 15.542 19.196 10.735 1.00 0.00 C ATOM 344 C CYS A 25 16.905 19.870 10.816 1.00 0.00 C ATOM 345 O CYS A 25 17.487 19.997 11.894 1.00 0.00 O ATOM 346 CB CYS A 25 15.676 17.826 10.060 1.00 0.00 C ATOM 347 SG CYS A 25 16.806 16.668 10.905 1.00 0.00 S ATOM 0 H CYS A 25 14.330 19.652 9.088 1.00 0.00 H new ATOM 0 HA CYS A 25 15.158 19.058 11.746 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.689 17.369 9.998 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.025 17.972 9.038 1.00 0.00 H new ATOM 352 N ALA A 26 17.394 20.328 9.670 1.00 0.00 N ATOM 353 CA ALA A 26 18.714 20.933 9.589 1.00 0.00 C ATOM 354 C ALA A 26 18.741 22.307 10.252 1.00 0.00 C ATOM 355 O ALA A 26 19.780 22.746 10.744 1.00 0.00 O ATOM 356 CB ALA A 26 19.163 21.029 8.143 1.00 0.00 C ATOM 0 H ALA A 26 16.893 20.291 8.782 1.00 0.00 H new ATOM 0 HA ALA A 26 19.409 20.292 10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.153 21.484 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.203 20.031 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.457 21.642 7.583 1.00 0.00 H new ATOM 362 N SER A 27 17.599 22.981 10.270 1.00 0.00 N ATOM 363 CA SER A 27 17.492 24.286 10.912 1.00 0.00 C ATOM 364 C SER A 27 17.624 24.156 12.429 1.00 0.00 C ATOM 365 O SER A 27 18.003 25.101 13.116 1.00 0.00 O ATOM 366 CB SER A 27 16.153 24.940 10.562 1.00 0.00 C ATOM 367 OG SER A 27 16.097 26.281 11.023 1.00 0.00 O ATOM 0 H SER A 27 16.733 22.646 9.848 1.00 0.00 H new ATOM 0 HA SER A 27 18.304 24.914 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.007 24.918 9.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.339 24.367 11.006 1.00 0.00 H new ATOM 0 HG SER A 27 17.005 26.643 11.087 1.00 0.00 H new ATOM 373 N ARG A 28 17.320 22.976 12.946 1.00 0.00 N ATOM 374 CA ARG A 28 17.358 22.741 14.381 1.00 0.00 C ATOM 375 C ARG A 28 18.543 21.857 14.740 1.00 0.00 C ATOM 376 O ARG A 28 18.582 21.246 15.810 1.00 0.00 O ATOM 377 CB ARG A 28 16.048 22.097 14.836 1.00 0.00 C ATOM 378 CG ARG A 28 14.832 22.985 14.629 1.00 0.00 C ATOM 379 CD ARG A 28 14.912 24.252 15.467 1.00 0.00 C ATOM 380 NE ARG A 28 13.720 25.086 15.315 1.00 0.00 N ATOM 381 CZ ARG A 28 13.468 26.172 16.047 1.00 0.00 C ATOM 382 NH1 ARG A 28 14.348 26.592 16.948 1.00 0.00 N ATOM 383 NH2 ARG A 28 12.342 26.852 15.859 1.00 0.00 N ATOM 0 H ARG A 28 17.044 22.165 12.393 1.00 0.00 H new ATOM 0 HA ARG A 28 17.476 23.695 14.895 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.903 21.164 14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.126 21.841 15.893 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.750 23.250 13.575 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.929 22.433 14.890 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.036 23.985 16.517 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.794 24.823 15.177 1.00 0.00 H new ATOM 0 HE ARG A 28 13.038 24.820 14.604 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.222 26.084 17.083 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.150 27.423 17.505 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.671 26.543 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.148 27.683 16.418 1.00 0.00 H new ATOM 397 N SER A 29 19.513 21.801 13.839 1.00 0.00 N ATOM 398 CA SER A 29 20.705 20.994 14.055 1.00 0.00 C ATOM 399 C SER A 29 21.687 21.710 14.979 1.00 0.00 C ATOM 400 O SER A 29 22.327 21.089 15.826 1.00 0.00 O ATOM 401 CB SER A 29 21.392 20.682 12.722 1.00 0.00 C ATOM 402 OG SER A 29 21.837 21.872 12.083 1.00 0.00 O ATOM 0 H SER A 29 19.498 22.304 12.952 1.00 0.00 H new ATOM 0 HA SER A 29 20.394 20.061 14.526 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.240 20.019 12.893 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.700 20.152 12.068 1.00 0.00 H new ATOM 0 HG SER A 29 21.068 22.347 11.703 1.00 0.00 H new ATOM 408 N GLY A 30 21.802 23.024 14.800 1.00 0.00 N ATOM 409 CA GLY A 30 22.788 23.797 15.532 1.00 0.00 C ATOM 410 C GLY A 30 24.134 23.762 14.838 1.00 0.00 C ATOM 411 O GLY A 30 25.119 24.325 15.319 1.00 0.00 O ATOM 0 H GLY A 30 21.226 23.568 14.157 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.450 24.829 15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.886 23.402 16.543 1.00 0.00 H new ATOM 415 N VAL A 31 24.166 23.097 13.691 1.00 0.00 N ATOM 416 CA VAL A 31 25.389 22.934 12.926 1.00 0.00 C ATOM 417 C VAL A 31 25.488 23.982 11.821 1.00 0.00 C ATOM 418 O VAL A 31 26.547 24.580 11.610 1.00 0.00 O ATOM 419 CB VAL A 31 25.462 21.527 12.296 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.744 21.354 11.494 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.356 20.452 13.368 1.00 0.00 C ATOM 0 H VAL A 31 23.348 22.658 13.269 1.00 0.00 H new ATOM 0 HA VAL A 31 26.222 23.063 13.617 1.00 0.00 H new ATOM 0 HB VAL A 31 24.618 21.420 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.770 20.354 11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.777 22.096 10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.604 21.488 12.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.410 19.468 12.903 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.176 20.563 14.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.406 20.554 13.893 1.00 0.00 H new ATOM 431 N LEU A 32 24.377 24.212 11.129 1.00 0.00 N ATOM 432 CA LEU A 32 24.365 25.113 9.984 1.00 0.00 C ATOM 433 C LEU A 32 24.420 26.565 10.417 1.00 0.00 C ATOM 434 O LEU A 32 24.176 26.898 11.578 1.00 0.00 O ATOM 435 CB LEU A 32 23.117 24.896 9.135 1.00 0.00 C ATOM 436 CG LEU A 32 22.947 23.487 8.583 1.00 0.00 C ATOM 437 CD1 LEU A 32 21.704 23.405 7.723 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.162 23.065 7.782 1.00 0.00 C ATOM 0 H LEU A 32 23.474 23.787 11.341 1.00 0.00 H new ATOM 0 HA LEU A 32 25.253 24.887 9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.241 25.142 9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.138 25.596 8.300 1.00 0.00 H new ATOM 0 HG LEU A 32 22.841 22.806 9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 21.596 22.392 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 20.830 23.660 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 32 21.790 24.104 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.013 22.055 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.304 23.751 6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.044 23.084 8.422 1.00 0.00 H new ATOM 450 N THR A 33 24.729 27.421 9.464 1.00 0.00 N ATOM 451 CA THR A 33 24.816 28.848 9.708 1.00 0.00 C ATOM 452 C THR A 33 23.464 29.506 9.470 1.00 0.00 C ATOM 453 O THR A 33 22.534 28.866 8.967 1.00 0.00 O ATOM 454 CB THR A 33 25.866 29.499 8.785 1.00 0.00 C ATOM 455 OG1 THR A 33 25.407 29.486 7.426 1.00 0.00 O ATOM 456 CG2 THR A 33 27.189 28.757 8.863 1.00 0.00 C ATOM 0 H THR A 33 24.926 27.149 8.501 1.00 0.00 H new ATOM 0 HA THR A 33 25.116 28.994 10.746 1.00 0.00 H new ATOM 0 HB THR A 33 26.011 30.527 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.081 29.903 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.914 29.235 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.560 28.781 9.888 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.044 27.722 8.554 1.00 0.00 H new ATOM 464 N ALA A 34 23.357 30.784 9.815 1.00 0.00 N ATOM 465 CA ALA A 34 22.136 31.533 9.574 1.00 0.00 C ATOM 466 C ALA A 34 21.891 31.649 8.077 1.00 0.00 C ATOM 467 O ALA A 34 20.749 31.670 7.617 1.00 0.00 O ATOM 468 CB ALA A 34 22.217 32.910 10.213 1.00 0.00 C ATOM 0 H ALA A 34 24.101 31.320 10.262 1.00 0.00 H new ATOM 0 HA ALA A 34 21.300 31.001 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.293 33.455 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.359 32.804 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 34 23.057 33.459 9.788 1.00 0.00 H new ATOM 474 N ASP A 35 22.984 31.688 7.323 1.00 0.00 N ATOM 475 CA ASP A 35 22.915 31.770 5.872 1.00 0.00 C ATOM 476 C ASP A 35 22.444 30.444 5.302 1.00 0.00 C ATOM 477 O ASP A 35 21.524 30.399 4.493 1.00 0.00 O ATOM 478 CB ASP A 35 24.284 32.116 5.278 1.00 0.00 C ATOM 479 CG ASP A 35 24.913 33.335 5.916 1.00 0.00 C ATOM 480 OD1 ASP A 35 24.503 34.468 5.586 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.825 33.164 6.753 1.00 0.00 O ATOM 0 H ASP A 35 23.933 31.664 7.697 1.00 0.00 H new ATOM 0 HA ASP A 35 22.209 32.558 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.952 31.264 5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.177 32.288 4.207 1.00 0.00 H new ATOM 486 N GLN A 36 23.069 29.363 5.755 1.00 0.00 N ATOM 487 CA GLN A 36 22.778 28.026 5.247 1.00 0.00 C ATOM 488 C GLN A 36 21.329 27.614 5.503 1.00 0.00 C ATOM 489 O GLN A 36 20.692 27.014 4.640 1.00 0.00 O ATOM 490 CB GLN A 36 23.737 27.010 5.865 1.00 0.00 C ATOM 491 CG GLN A 36 25.083 26.950 5.166 1.00 0.00 C ATOM 492 CD GLN A 36 26.066 26.041 5.872 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.041 25.914 7.096 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.916 25.383 5.102 1.00 0.00 N ATOM 0 H GLN A 36 23.787 29.387 6.479 1.00 0.00 H new ATOM 0 HA GLN A 36 22.920 28.048 4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.892 27.259 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.277 26.022 5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 36 24.942 26.601 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.502 27.955 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.900 25.520 4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.588 24.738 5.519 1.00 0.00 H new ATOM 503 N MET A 37 20.805 27.946 6.676 1.00 0.00 N ATOM 504 CA MET A 37 19.429 27.588 7.016 1.00 0.00 C ATOM 505 C MET A 37 18.429 28.354 6.152 1.00 0.00 C ATOM 506 O MET A 37 17.304 27.897 5.935 1.00 0.00 O ATOM 507 CB MET A 37 19.151 27.844 8.496 1.00 0.00 C ATOM 508 CG MET A 37 19.933 26.934 9.430 1.00 0.00 C ATOM 509 SD MET A 37 19.512 27.184 11.167 1.00 0.00 S ATOM 510 CE MET A 37 20.017 28.886 11.406 1.00 0.00 C ATOM 0 H MET A 37 21.304 28.458 7.404 1.00 0.00 H new ATOM 0 HA MET A 37 19.307 26.523 6.817 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.392 28.882 8.728 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.085 27.714 8.684 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.743 25.895 9.161 1.00 0.00 H new ATOM 0 HG3 MET A 37 21.000 27.109 9.291 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.986 29.129 12.468 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.032 29.020 11.033 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.341 29.546 10.863 1.00 0.00 H new ATOM 520 N ASP A 38 18.839 29.513 5.654 1.00 0.00 N ATOM 521 CA ASP A 38 17.985 30.299 4.771 1.00 0.00 C ATOM 522 C ASP A 38 18.202 29.874 3.325 1.00 0.00 C ATOM 523 O ASP A 38 17.276 29.884 2.511 1.00 0.00 O ATOM 524 CB ASP A 38 18.266 31.794 4.927 1.00 0.00 C ATOM 525 CG ASP A 38 17.301 32.649 4.128 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.147 32.823 4.577 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.689 33.161 3.059 1.00 0.00 O ATOM 0 H ASP A 38 19.751 29.928 5.844 1.00 0.00 H new ATOM 0 HA ASP A 38 16.946 30.117 5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.201 32.065 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.286 32.005 4.606 1.00 0.00 H new ATOM 532 N ASP A 39 19.433 29.480 3.024 1.00 0.00 N ATOM 533 CA ASP A 39 19.790 28.977 1.701 1.00 0.00 C ATOM 534 C ASP A 39 18.963 27.736 1.377 1.00 0.00 C ATOM 535 O ASP A 39 18.506 27.547 0.250 1.00 0.00 O ATOM 536 CB ASP A 39 21.285 28.645 1.653 1.00 0.00 C ATOM 537 CG ASP A 39 21.811 28.491 0.240 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.578 27.436 -0.380 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.472 29.432 -0.254 1.00 0.00 O ATOM 0 H ASP A 39 20.209 29.499 3.685 1.00 0.00 H new ATOM 0 HA ASP A 39 19.578 29.746 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.843 29.433 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.465 27.722 2.205 1.00 0.00 H new ATOM 544 N MET A 40 18.740 26.906 2.391 1.00 0.00 N ATOM 545 CA MET A 40 17.911 25.717 2.234 1.00 0.00 C ATOM 546 C MET A 40 16.462 26.100 1.945 1.00 0.00 C ATOM 547 O MET A 40 15.720 25.340 1.322 1.00 0.00 O ATOM 548 CB MET A 40 17.976 24.844 3.486 1.00 0.00 C ATOM 549 CG MET A 40 19.353 24.266 3.762 1.00 0.00 C ATOM 550 SD MET A 40 19.371 23.172 5.194 1.00 0.00 S ATOM 551 CE MET A 40 18.271 21.873 4.642 1.00 0.00 C ATOM 0 H MET A 40 19.121 27.035 3.328 1.00 0.00 H new ATOM 0 HA MET A 40 18.299 25.149 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.662 25.435 4.346 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.263 24.026 3.384 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.695 23.716 2.885 1.00 0.00 H new ATOM 0 HG3 MET A 40 20.059 25.080 3.923 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.207 21.100 5.408 1.00 0.00 H new ATOM 0 HE2 MET A 40 17.279 22.288 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 40 18.655 21.438 3.719 1.00 0.00 H new ATOM 561 N GLY A 41 16.071 27.290 2.390 1.00 0.00 N ATOM 562 CA GLY A 41 14.723 27.769 2.160 1.00 0.00 C ATOM 563 C GLY A 41 14.460 28.016 0.691 1.00 0.00 C ATOM 564 O GLY A 41 13.470 27.534 0.139 1.00 0.00 O ATOM 0 H GLY A 41 16.669 27.933 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.008 27.040 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.564 28.692 2.718 1.00 0.00 H new ATOM 568 N MET A 42 15.371 28.741 0.048 1.00 0.00 N ATOM 569 CA MET A 42 15.251 29.027 -1.377 1.00 0.00 C ATOM 570 C MET A 42 15.480 27.757 -2.194 1.00 0.00 C ATOM 571 O MET A 42 14.990 27.629 -3.316 1.00 0.00 O ATOM 572 CB MET A 42 16.230 30.130 -1.793 1.00 0.00 C ATOM 573 CG MET A 42 17.691 29.737 -1.667 1.00 0.00 C ATOM 574 SD MET A 42 18.827 31.110 -1.971 1.00 0.00 S ATOM 575 CE MET A 42 18.423 32.187 -0.595 1.00 0.00 C ATOM 0 H MET A 42 16.199 29.140 0.491 1.00 0.00 H new ATOM 0 HA MET A 42 14.240 29.384 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 42 16.028 30.411 -2.827 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.048 31.013 -1.181 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.869 29.341 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.906 28.933 -2.371 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.259 32.860 -0.402 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.536 32.771 -0.839 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.229 31.586 0.293 1.00 0.00 H new ATOM 585 N MET A 43 16.213 26.810 -1.612 1.00 0.00 N ATOM 586 CA MET A 43 16.414 25.509 -2.229 1.00 0.00 C ATOM 587 C MET A 43 15.095 24.743 -2.267 1.00 0.00 C ATOM 588 O MET A 43 14.691 24.227 -3.308 1.00 0.00 O ATOM 589 CB MET A 43 17.455 24.717 -1.441 1.00 0.00 C ATOM 590 CG MET A 43 17.694 23.315 -1.968 1.00 0.00 C ATOM 591 SD MET A 43 18.552 22.284 -0.769 1.00 0.00 S ATOM 592 CE MET A 43 17.318 22.171 0.524 1.00 0.00 C ATOM 0 H MET A 43 16.677 26.924 -0.711 1.00 0.00 H new ATOM 0 HA MET A 43 16.772 25.649 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.398 25.264 -1.453 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.137 24.653 -0.400 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.739 22.856 -2.224 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.279 23.367 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.165 21.125 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.658 22.723 1.401 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.379 22.596 0.169 1.00 0.00 H new ATOM 602 N ALA A 44 14.418 24.696 -1.122 1.00 0.00 N ATOM 603 CA ALA A 44 13.132 24.015 -1.009 1.00 0.00 C ATOM 604 C ALA A 44 12.092 24.679 -1.903 1.00 0.00 C ATOM 605 O ALA A 44 11.246 24.003 -2.495 1.00 0.00 O ATOM 606 CB ALA A 44 12.664 24.003 0.440 1.00 0.00 C ATOM 0 H ALA A 44 14.742 25.124 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 44 13.257 22.984 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.704 23.492 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.397 23.481 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.556 25.028 0.796 1.00 0.00 H new ATOM 612 N ASP A 45 12.174 26.003 -2.003 1.00 0.00 N ATOM 613 CA ASP A 45 11.296 26.772 -2.880 1.00 0.00 C ATOM 614 C ASP A 45 11.456 26.317 -4.327 1.00 0.00 C ATOM 615 O ASP A 45 10.477 26.160 -5.060 1.00 0.00 O ATOM 616 CB ASP A 45 11.604 28.265 -2.763 1.00 0.00 C ATOM 617 CG ASP A 45 10.785 29.105 -3.722 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.555 29.206 -3.526 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.366 29.671 -4.670 1.00 0.00 O ATOM 0 H ASP A 45 12.845 26.569 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 45 10.265 26.600 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.411 28.593 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.664 28.430 -2.955 1.00 0.00 H new ATOM 624 N SER A 46 12.699 26.080 -4.714 1.00 0.00 N ATOM 625 CA SER A 46 13.018 25.602 -6.043 1.00 0.00 C ATOM 626 C SER A 46 12.416 24.214 -6.272 1.00 0.00 C ATOM 627 O SER A 46 11.897 23.924 -7.351 1.00 0.00 O ATOM 628 CB SER A 46 14.541 25.575 -6.210 1.00 0.00 C ATOM 629 OG SER A 46 14.931 25.114 -7.491 1.00 0.00 O ATOM 0 H SER A 46 13.512 26.215 -4.114 1.00 0.00 H new ATOM 0 HA SER A 46 12.589 26.273 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.940 26.576 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.977 24.932 -5.446 1.00 0.00 H new ATOM 0 HG SER A 46 15.774 24.620 -7.418 1.00 0.00 H new ATOM 635 N VAL A 47 12.453 23.376 -5.237 1.00 0.00 N ATOM 636 CA VAL A 47 11.957 22.005 -5.334 1.00 0.00 C ATOM 637 C VAL A 47 10.474 21.962 -5.694 1.00 0.00 C ATOM 638 O VAL A 47 10.095 21.299 -6.655 1.00 0.00 O ATOM 639 CB VAL A 47 12.186 21.212 -4.029 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.665 19.787 -4.168 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.662 21.203 -3.659 1.00 0.00 C ATOM 0 H VAL A 47 12.823 23.624 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 47 12.530 21.536 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 47 11.633 21.705 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.836 19.245 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.597 19.810 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.189 19.286 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.802 20.639 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.235 20.737 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.007 22.227 -3.515 1.00 0.00 H new ATOM 651 N ASN A 48 9.630 22.675 -4.949 1.00 0.00 N ATOM 652 CA ASN A 48 8.196 22.623 -5.209 1.00 0.00 C ATOM 653 C ASN A 48 7.851 23.274 -6.542 1.00 0.00 C ATOM 654 O ASN A 48 6.839 22.946 -7.154 1.00 0.00 O ATOM 655 CB ASN A 48 7.375 23.257 -4.079 1.00 0.00 C ATOM 656 CG ASN A 48 7.765 24.682 -3.746 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.475 24.855 -2.642 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.390 25.621 -4.444 1.00 0.00 N flip ATOM 0 H ASN A 48 9.908 23.282 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 48 7.929 21.567 -5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.321 23.237 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.480 22.646 -3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.844 25.444 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.624 26.578 -4.180 1.00 0.00 H new ATOM 665 N SER A 49 8.699 24.183 -7.000 1.00 0.00 N ATOM 666 CA SER A 49 8.503 24.810 -8.296 1.00 0.00 C ATOM 667 C SER A 49 8.659 23.770 -9.410 1.00 0.00 C ATOM 668 O SER A 49 7.788 23.627 -10.268 1.00 0.00 O ATOM 669 CB SER A 49 9.497 25.963 -8.488 1.00 0.00 C ATOM 670 OG SER A 49 9.230 26.681 -9.684 1.00 0.00 O ATOM 0 H SER A 49 9.526 24.501 -6.495 1.00 0.00 H new ATOM 0 HA SER A 49 7.494 25.220 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.442 26.640 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.513 25.569 -8.517 1.00 0.00 H new ATOM 0 HG SER A 49 9.878 27.410 -9.779 1.00 0.00 H new ATOM 676 N GLN A 50 9.758 23.022 -9.370 1.00 0.00 N ATOM 677 CA GLN A 50 10.033 22.011 -10.388 1.00 0.00 C ATOM 678 C GLN A 50 9.214 20.738 -10.163 1.00 0.00 C ATOM 679 O GLN A 50 8.978 19.971 -11.096 1.00 0.00 O ATOM 680 CB GLN A 50 11.525 21.692 -10.442 1.00 0.00 C ATOM 681 CG GLN A 50 12.124 21.431 -9.082 1.00 0.00 C ATOM 682 CD GLN A 50 13.611 21.139 -9.127 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.120 20.577 -10.099 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.318 21.537 -8.079 1.00 0.00 N ATOM 0 H GLN A 50 10.472 23.096 -8.645 1.00 0.00 H new ATOM 0 HA GLN A 50 9.731 22.426 -11.350 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.681 20.818 -11.075 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.051 22.523 -10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.950 22.297 -8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.609 20.588 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.854 21.998 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.326 21.382 -8.055 1.00 0.00 H new ATOM 693 N MET A 51 8.776 20.522 -8.928 1.00 0.00 N ATOM 694 CA MET A 51 7.939 19.372 -8.593 1.00 0.00 C ATOM 695 C MET A 51 6.579 19.495 -9.269 1.00 0.00 C ATOM 696 O MET A 51 5.993 18.504 -9.698 1.00 0.00 O ATOM 697 CB MET A 51 7.787 19.247 -7.068 1.00 0.00 C ATOM 698 CG MET A 51 6.952 18.055 -6.610 1.00 0.00 C ATOM 699 SD MET A 51 5.233 18.486 -6.260 1.00 0.00 S ATOM 700 CE MET A 51 5.404 19.476 -4.770 1.00 0.00 C ATOM 0 H MET A 51 8.987 21.131 -8.137 1.00 0.00 H new ATOM 0 HA MET A 51 8.421 18.466 -8.960 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.779 19.172 -6.622 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.333 20.161 -6.685 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.977 17.284 -7.380 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.402 17.626 -5.715 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.419 19.661 -4.341 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.020 18.942 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.877 20.427 -5.017 1.00 0.00 H new ATOM 710 N GLN A 52 6.095 20.724 -9.395 1.00 0.00 N ATOM 711 CA GLN A 52 4.831 20.973 -10.075 1.00 0.00 C ATOM 712 C GLN A 52 4.996 20.824 -11.584 1.00 0.00 C ATOM 713 O GLN A 52 4.020 20.658 -12.316 1.00 0.00 O ATOM 714 CB GLN A 52 4.301 22.365 -9.733 1.00 0.00 C ATOM 715 CG GLN A 52 3.943 22.530 -8.267 1.00 0.00 C ATOM 716 CD GLN A 52 3.485 23.936 -7.936 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.296 24.252 -8.015 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.425 24.786 -7.556 1.00 0.00 N ATOM 0 H GLN A 52 6.556 21.560 -9.037 1.00 0.00 H new ATOM 0 HA GLN A 52 4.107 20.234 -9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.052 23.108 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.419 22.569 -10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.154 21.824 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.809 22.280 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.397 24.482 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.177 25.746 -7.314 1.00 0.00 H new ATOM 727 N LYS A 53 6.241 20.868 -12.040 1.00 0.00 N ATOM 728 CA LYS A 53 6.548 20.700 -13.451 1.00 0.00 C ATOM 729 C LYS A 53 6.863 19.239 -13.749 1.00 0.00 C ATOM 730 O LYS A 53 7.245 18.887 -14.864 1.00 0.00 O ATOM 731 CB LYS A 53 7.741 21.573 -13.841 1.00 0.00 C ATOM 732 CG LYS A 53 7.580 23.056 -13.513 1.00 0.00 C ATOM 733 CD LYS A 53 6.797 23.825 -14.578 1.00 0.00 C ATOM 734 CE LYS A 53 5.304 23.535 -14.537 1.00 0.00 C ATOM 735 NZ LYS A 53 4.536 24.476 -15.392 1.00 0.00 N ATOM 0 H LYS A 53 7.058 21.020 -11.448 1.00 0.00 H new ATOM 0 HA LYS A 53 5.679 21.005 -14.034 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.630 21.197 -13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.916 21.468 -14.912 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.072 23.157 -12.554 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.566 23.506 -13.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.959 24.894 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.185 23.569 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.123 22.512 -14.868 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.948 23.605 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.523 24.246 -15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.689 25.450 -15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.858 24.391 -16.377 1.00 0.00 H new ATOM 749 N MET A 54 6.719 18.398 -12.734 1.00 0.00 N ATOM 750 CA MET A 54 6.961 16.970 -12.881 1.00 0.00 C ATOM 751 C MET A 54 5.832 16.311 -13.670 1.00 0.00 C ATOM 752 O MET A 54 6.072 15.423 -14.491 1.00 0.00 O ATOM 753 CB MET A 54 7.106 16.324 -11.503 1.00 0.00 C ATOM 754 CG MET A 54 7.470 14.852 -11.537 1.00 0.00 C ATOM 755 SD MET A 54 7.755 14.178 -9.888 1.00 0.00 S ATOM 756 CE MET A 54 9.155 15.152 -9.343 1.00 0.00 C ATOM 0 H MET A 54 6.435 18.682 -11.796 1.00 0.00 H new ATOM 0 HA MET A 54 7.888 16.825 -13.436 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.870 16.862 -10.941 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.169 16.442 -10.959 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.669 14.293 -12.022 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.366 14.716 -12.143 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.762 14.563 -8.656 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.757 15.438 -10.205 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.799 16.049 -8.836 1.00 0.00 H new ATOM 766 N GLY A 55 4.606 16.760 -13.423 1.00 0.00 N ATOM 767 CA GLY A 55 3.465 16.254 -14.165 1.00 0.00 C ATOM 768 C GLY A 55 2.582 15.341 -13.333 1.00 0.00 C ATOM 769 O GLY A 55 3.052 14.730 -12.374 1.00 0.00 O ATOM 0 H GLY A 55 4.382 17.466 -12.722 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.872 17.093 -14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.819 15.711 -15.041 1.00 0.00 H new ATOM 773 N PRO A 56 1.284 15.238 -13.674 1.00 0.00 N ATOM 774 CA PRO A 56 0.350 14.341 -12.984 1.00 0.00 C ATOM 775 C PRO A 56 0.731 12.880 -13.181 1.00 0.00 C ATOM 776 O PRO A 56 0.968 12.442 -14.309 1.00 0.00 O ATOM 777 CB PRO A 56 -1.000 14.641 -13.642 1.00 0.00 C ATOM 778 CG PRO A 56 -0.657 15.236 -14.962 1.00 0.00 C ATOM 779 CD PRO A 56 0.630 15.985 -14.759 1.00 0.00 C ATOM 0 HA PRO A 56 0.344 14.501 -11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.593 13.734 -13.759 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.589 15.331 -13.038 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.542 14.462 -15.721 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.447 15.904 -15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.237 15.995 -15.664 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.452 17.024 -14.483 1.00 0.00 H new ATOM 787 N ASN A 57 0.761 12.135 -12.078 1.00 0.00 N ATOM 788 CA ASN A 57 1.306 10.778 -12.062 1.00 0.00 C ATOM 789 C ASN A 57 2.759 10.814 -12.515 1.00 0.00 C ATOM 790 O ASN A 57 3.067 10.546 -13.680 1.00 0.00 O ATOM 791 CB ASN A 57 0.490 9.816 -12.935 1.00 0.00 C ATOM 792 CG ASN A 57 -0.905 9.572 -12.393 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.114 8.714 -11.536 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.874 10.314 -12.905 1.00 0.00 N ATOM 0 H ASN A 57 0.410 12.452 -11.174 1.00 0.00 H new ATOM 0 HA ASN A 57 1.248 10.401 -11.041 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.417 10.221 -13.944 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.017 8.865 -13.011 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.836 10.185 -12.591 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.659 11.015 -13.614 1.00 0.00 H new ATOM 801 N PRO A 58 3.658 11.186 -11.586 1.00 0.00 N ATOM 802 CA PRO A 58 5.076 11.450 -11.879 1.00 0.00 C ATOM 803 C PRO A 58 5.766 10.331 -12.652 1.00 0.00 C ATOM 804 O PRO A 58 5.938 9.219 -12.147 1.00 0.00 O ATOM 805 CB PRO A 58 5.699 11.602 -10.494 1.00 0.00 C ATOM 806 CG PRO A 58 4.583 12.088 -9.644 1.00 0.00 C ATOM 807 CD PRO A 58 3.359 11.384 -10.154 1.00 0.00 C ATOM 0 HA PRO A 58 5.186 12.323 -12.522 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.094 10.654 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.528 12.310 -10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.760 11.858 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.474 13.170 -9.719 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.196 10.436 -9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.460 11.983 -10.009 1.00 0.00 H new ATOM 815 N PRO A 59 6.172 10.622 -13.895 1.00 0.00 N ATOM 816 CA PRO A 59 6.892 9.668 -14.729 1.00 0.00 C ATOM 817 C PRO A 59 8.334 9.493 -14.260 1.00 0.00 C ATOM 818 O PRO A 59 9.008 10.466 -13.914 1.00 0.00 O ATOM 819 CB PRO A 59 6.840 10.302 -16.119 1.00 0.00 C ATOM 820 CG PRO A 59 6.702 11.764 -15.874 1.00 0.00 C ATOM 821 CD PRO A 59 5.952 11.911 -14.579 1.00 0.00 C ATOM 0 HA PRO A 59 6.456 8.669 -14.698 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.744 10.081 -16.687 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.999 9.918 -16.696 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.680 12.241 -15.812 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.164 12.245 -16.691 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.331 12.746 -13.990 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.892 12.097 -14.750 1.00 0.00 H new ATOM 829 N GLN A 60 8.813 8.257 -14.273 1.00 0.00 N ATOM 830 CA GLN A 60 10.120 7.937 -13.713 1.00 0.00 C ATOM 831 C GLN A 60 11.263 8.617 -14.464 1.00 0.00 C ATOM 832 O GLN A 60 12.340 8.810 -13.901 1.00 0.00 O ATOM 833 CB GLN A 60 10.333 6.423 -13.657 1.00 0.00 C ATOM 834 CG GLN A 60 10.018 5.697 -14.953 1.00 0.00 C ATOM 835 CD GLN A 60 10.223 4.200 -14.832 1.00 0.00 C ATOM 836 OE1 GLN A 60 9.320 3.470 -14.425 1.00 0.00 O ATOM 837 NE2 GLN A 60 11.411 3.733 -15.184 1.00 0.00 N ATOM 0 H GLN A 60 8.316 7.458 -14.666 1.00 0.00 H new ATOM 0 HA GLN A 60 10.131 8.330 -12.697 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.370 6.224 -13.386 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.711 6.010 -12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.986 5.899 -15.240 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.652 6.086 -15.749 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.132 4.373 -15.516 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.605 2.733 -15.123 1.00 0.00 H new ATOM 846 N HIS A 61 11.034 9.010 -15.715 1.00 0.00 N ATOM 847 CA HIS A 61 12.073 9.697 -16.480 1.00 0.00 C ATOM 848 C HIS A 61 12.321 11.096 -15.907 1.00 0.00 C ATOM 849 O HIS A 61 13.351 11.712 -16.164 1.00 0.00 O ATOM 850 CB HIS A 61 11.726 9.758 -17.982 1.00 0.00 C ATOM 851 CG HIS A 61 10.668 10.755 -18.366 1.00 0.00 C ATOM 852 ND1 HIS A 61 9.365 10.406 -18.654 1.00 0.00 N ATOM 853 CD2 HIS A 61 10.740 12.095 -18.546 1.00 0.00 C ATOM 854 CE1 HIS A 61 8.685 11.488 -18.990 1.00 0.00 C ATOM 855 NE2 HIS A 61 9.496 12.524 -18.928 1.00 0.00 N ATOM 0 H HIS A 61 10.156 8.868 -16.214 1.00 0.00 H new ATOM 0 HA HIS A 61 12.995 9.122 -16.389 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.635 9.988 -18.537 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.400 8.768 -18.301 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.616 12.712 -18.413 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.642 11.518 -19.268 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.239 13.490 -19.132 1.00 0.00 H new ATOM 863 N ARG A 62 11.363 11.589 -15.127 1.00 0.00 N ATOM 864 CA ARG A 62 11.522 12.852 -14.417 1.00 0.00 C ATOM 865 C ARG A 62 12.170 12.602 -13.064 1.00 0.00 C ATOM 866 O ARG A 62 12.974 13.400 -12.584 1.00 0.00 O ATOM 867 CB ARG A 62 10.162 13.533 -14.218 1.00 0.00 C ATOM 868 CG ARG A 62 9.601 14.187 -15.469 1.00 0.00 C ATOM 869 CD ARG A 62 9.964 15.664 -15.545 1.00 0.00 C ATOM 870 NE ARG A 62 11.409 15.889 -15.530 1.00 0.00 N ATOM 871 CZ ARG A 62 12.007 16.886 -14.876 1.00 0.00 C ATOM 872 NH1 ARG A 62 11.286 17.770 -14.193 1.00 0.00 N ATOM 873 NH2 ARG A 62 13.330 17.001 -14.909 1.00 0.00 N ATOM 0 H ARG A 62 10.466 11.130 -14.971 1.00 0.00 H new ATOM 0 HA ARG A 62 12.158 13.508 -15.012 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.448 12.793 -13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.258 14.289 -13.439 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.983 13.673 -16.351 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.517 14.078 -15.481 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.543 16.092 -16.455 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.509 16.190 -14.705 1.00 0.00 H new ATOM 0 HE ARG A 62 11.998 15.241 -16.054 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.270 17.688 -14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.749 18.530 -13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.888 16.327 -15.434 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.788 17.763 -14.409 1.00 0.00 H new ATOM 887 N LEU A 63 11.830 11.468 -12.470 1.00 0.00 N ATOM 888 CA LEU A 63 12.289 11.121 -11.132 1.00 0.00 C ATOM 889 C LEU A 63 13.791 10.858 -11.116 1.00 0.00 C ATOM 890 O LEU A 63 14.480 11.193 -10.151 1.00 0.00 O ATOM 891 CB LEU A 63 11.535 9.890 -10.625 1.00 0.00 C ATOM 892 CG LEU A 63 10.008 9.992 -10.709 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.348 8.775 -10.086 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.522 11.261 -10.035 1.00 0.00 C ATOM 0 H LEU A 63 11.230 10.764 -12.900 1.00 0.00 H new ATOM 0 HA LEU A 63 12.087 11.965 -10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.859 9.021 -11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.817 9.711 -9.587 1.00 0.00 H new ATOM 0 HG LEU A 63 9.729 10.029 -11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.265 8.872 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.668 7.877 -10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.637 8.701 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.436 11.317 -10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.819 11.252 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.962 12.127 -10.529 1.00 0.00 H new ATOM 906 N ARG A 64 14.289 10.273 -12.200 1.00 0.00 N ATOM 907 CA ARG A 64 15.711 9.960 -12.329 1.00 0.00 C ATOM 908 C ARG A 64 16.547 11.229 -12.482 1.00 0.00 C ATOM 909 O ARG A 64 17.755 11.214 -12.265 1.00 0.00 O ATOM 910 CB ARG A 64 15.947 9.016 -13.513 1.00 0.00 C ATOM 911 CG ARG A 64 15.890 7.533 -13.151 1.00 0.00 C ATOM 912 CD ARG A 64 14.622 7.170 -12.392 1.00 0.00 C ATOM 913 NE ARG A 64 14.530 5.735 -12.118 1.00 0.00 N ATOM 914 CZ ARG A 64 14.226 5.216 -10.925 1.00 0.00 C ATOM 915 NH1 ARG A 64 14.072 6.002 -9.865 1.00 0.00 N ATOM 916 NH2 ARG A 64 14.097 3.903 -10.782 1.00 0.00 N ATOM 0 H ARG A 64 13.727 10.004 -13.007 1.00 0.00 H new ATOM 0 HA ARG A 64 16.028 9.460 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.201 9.220 -14.281 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.921 9.235 -13.949 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.948 6.937 -14.062 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.759 7.276 -12.545 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.594 7.720 -11.451 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.753 7.484 -12.970 1.00 0.00 H new ATOM 0 HE ARG A 64 14.710 5.090 -12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.186 7.011 -9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.840 5.596 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.230 3.287 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.865 3.510 -9.870 1.00 0.00 H new ATOM 930 N ALA A 65 15.897 12.325 -12.839 1.00 0.00 N ATOM 931 CA ALA A 65 16.580 13.603 -12.954 1.00 0.00 C ATOM 932 C ALA A 65 16.397 14.426 -11.683 1.00 0.00 C ATOM 933 O ALA A 65 17.299 15.149 -11.263 1.00 0.00 O ATOM 934 CB ALA A 65 16.064 14.370 -14.161 1.00 0.00 C ATOM 0 H ALA A 65 14.900 12.355 -13.054 1.00 0.00 H new ATOM 0 HA ALA A 65 17.645 13.414 -13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.584 15.325 -14.235 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.243 13.788 -15.065 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.994 14.547 -14.049 1.00 0.00 H new ATOM 940 N MET A 66 15.230 14.285 -11.059 1.00 0.00 N ATOM 941 CA MET A 66 14.873 15.065 -9.891 1.00 0.00 C ATOM 942 C MET A 66 15.800 14.792 -8.704 1.00 0.00 C ATOM 943 O MET A 66 16.185 15.720 -7.992 1.00 0.00 O ATOM 944 CB MET A 66 13.418 14.771 -9.541 1.00 0.00 C ATOM 945 CG MET A 66 13.020 15.196 -8.149 1.00 0.00 C ATOM 946 SD MET A 66 13.211 16.966 -7.846 1.00 0.00 S ATOM 947 CE MET A 66 11.956 17.654 -8.922 1.00 0.00 C ATOM 0 H MET A 66 14.510 13.625 -11.354 1.00 0.00 H new ATOM 0 HA MET A 66 14.992 16.123 -10.123 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.774 15.275 -10.261 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.239 13.701 -9.647 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.980 14.917 -7.977 1.00 0.00 H new ATOM 0 HG3 MET A 66 13.621 14.646 -7.425 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.426 18.302 -9.661 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.430 16.846 -9.430 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.247 18.233 -8.330 1.00 0.00 H new ATOM 957 N ASN A 67 16.164 13.529 -8.487 1.00 0.00 N ATOM 958 CA ASN A 67 17.090 13.190 -7.404 1.00 0.00 C ATOM 959 C ASN A 67 18.414 13.936 -7.573 1.00 0.00 C ATOM 960 O ASN A 67 19.024 14.366 -6.595 1.00 0.00 O ATOM 961 CB ASN A 67 17.343 11.677 -7.327 1.00 0.00 C ATOM 962 CG ASN A 67 17.995 11.108 -8.574 1.00 0.00 C ATOM 963 OD1 ASN A 67 19.211 11.182 -8.749 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.193 10.512 -9.438 1.00 0.00 N ATOM 0 H ASN A 67 15.839 12.734 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 67 16.624 13.501 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.978 11.466 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.395 11.166 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.577 10.093 -10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.190 10.471 -9.258 1.00 0.00 H new ATOM 971 N THR A 68 18.836 14.111 -8.821 1.00 0.00 N ATOM 972 CA THR A 68 20.066 14.822 -9.117 1.00 0.00 C ATOM 973 C THR A 68 19.857 16.326 -8.974 1.00 0.00 C ATOM 974 O THR A 68 20.737 17.042 -8.494 1.00 0.00 O ATOM 975 CB THR A 68 20.559 14.494 -10.540 1.00 0.00 C ATOM 976 OG1 THR A 68 20.594 13.071 -10.722 1.00 0.00 O ATOM 977 CG2 THR A 68 21.946 15.075 -10.783 1.00 0.00 C ATOM 0 H THR A 68 18.340 13.767 -9.643 1.00 0.00 H new ATOM 0 HA THR A 68 20.824 14.499 -8.404 1.00 0.00 H new ATOM 0 HB THR A 68 19.868 14.940 -11.255 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.214 12.631 -9.933 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.271 14.830 -11.794 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.912 16.158 -10.665 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.648 14.653 -10.064 1.00 0.00 H new ATOM 985 N ALA A 69 18.681 16.793 -9.376 1.00 0.00 N ATOM 986 CA ALA A 69 18.330 18.199 -9.250 1.00 0.00 C ATOM 987 C ALA A 69 18.386 18.641 -7.792 1.00 0.00 C ATOM 988 O ALA A 69 18.999 19.658 -7.472 1.00 0.00 O ATOM 989 CB ALA A 69 16.951 18.458 -9.833 1.00 0.00 C ATOM 0 H ALA A 69 17.952 16.214 -9.794 1.00 0.00 H new ATOM 0 HA ALA A 69 19.058 18.784 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.705 19.515 -9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.945 18.185 -10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.212 17.860 -9.299 1.00 0.00 H new ATOM 995 N MET A 70 17.768 17.853 -6.911 1.00 0.00 N ATOM 996 CA MET A 70 17.791 18.141 -5.481 1.00 0.00 C ATOM 997 C MET A 70 19.225 18.157 -4.984 1.00 0.00 C ATOM 998 O MET A 70 19.674 19.123 -4.373 1.00 0.00 O ATOM 999 CB MET A 70 17.005 17.088 -4.691 1.00 0.00 C ATOM 1000 CG MET A 70 17.076 17.302 -3.183 1.00 0.00 C ATOM 1001 SD MET A 70 16.705 15.815 -2.227 1.00 0.00 S ATOM 1002 CE MET A 70 14.968 15.580 -2.585 1.00 0.00 C ATOM 0 H MET A 70 17.247 17.013 -7.164 1.00 0.00 H new ATOM 0 HA MET A 70 17.327 19.115 -5.328 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.962 17.108 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.392 16.098 -4.931 1.00 0.00 H new ATOM 0 HG2 MET A 70 18.074 17.654 -2.920 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.376 18.089 -2.902 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.635 14.632 -2.163 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.392 16.395 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.817 15.570 -3.664 1.00 0.00 H new ATOM 1012 N ALA A 71 19.936 17.076 -5.277 1.00 0.00 N ATOM 1013 CA ALA A 71 21.312 16.899 -4.841 1.00 0.00 C ATOM 1014 C ALA A 71 22.195 18.078 -5.242 1.00 0.00 C ATOM 1015 O ALA A 71 23.008 18.551 -4.450 1.00 0.00 O ATOM 1016 CB ALA A 71 21.863 15.609 -5.415 1.00 0.00 C ATOM 0 H ALA A 71 19.572 16.296 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 71 21.317 16.849 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.894 15.477 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.261 14.770 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.830 15.652 -6.504 1.00 0.00 H new ATOM 1022 N ALA A 72 22.018 18.558 -6.466 1.00 0.00 N ATOM 1023 CA ALA A 72 22.824 19.657 -6.984 1.00 0.00 C ATOM 1024 C ALA A 72 22.557 20.952 -6.224 1.00 0.00 C ATOM 1025 O ALA A 72 23.465 21.752 -6.009 1.00 0.00 O ATOM 1026 CB ALA A 72 22.563 19.854 -8.471 1.00 0.00 C ATOM 0 H ALA A 72 21.321 18.203 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 72 23.872 19.395 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.173 20.678 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.820 18.942 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.509 20.083 -8.628 1.00 0.00 H new ATOM 1032 N GLU A 73 21.315 21.150 -5.811 1.00 0.00 N ATOM 1033 CA GLU A 73 20.933 22.368 -5.114 1.00 0.00 C ATOM 1034 C GLU A 73 21.241 22.264 -3.619 1.00 0.00 C ATOM 1035 O GLU A 73 21.563 23.263 -2.977 1.00 0.00 O ATOM 1036 CB GLU A 73 19.456 22.677 -5.374 1.00 0.00 C ATOM 1037 CG GLU A 73 19.158 22.830 -6.860 1.00 0.00 C ATOM 1038 CD GLU A 73 17.725 23.222 -7.155 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.406 24.425 -7.067 1.00 0.00 O ATOM 1040 OE2 GLU A 73 16.920 22.340 -7.516 1.00 0.00 O ATOM 0 H GLU A 73 20.555 20.484 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 73 21.524 23.198 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.840 21.878 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.180 23.594 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.825 23.583 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.380 21.890 -7.365 1.00 0.00 H new ATOM 1047 N VAL A 74 21.160 21.052 -3.072 1.00 0.00 N ATOM 1048 CA VAL A 74 21.588 20.805 -1.696 1.00 0.00 C ATOM 1049 C VAL A 74 23.103 20.971 -1.581 1.00 0.00 C ATOM 1050 O VAL A 74 23.615 21.464 -0.572 1.00 0.00 O ATOM 1051 CB VAL A 74 21.196 19.385 -1.216 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.664 19.147 0.211 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.694 19.169 -1.317 1.00 0.00 C ATOM 0 H VAL A 74 20.804 20.229 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 74 21.081 21.533 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 74 21.692 18.667 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.377 18.144 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.748 19.246 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.202 19.880 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.447 18.164 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.178 19.902 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.378 19.286 -2.354 1.00 0.00 H new ATOM 1063 N ALA A 75 23.809 20.573 -2.636 1.00 0.00 N ATOM 1064 CA ALA A 75 25.264 20.675 -2.685 1.00 0.00 C ATOM 1065 C ALA A 75 25.729 22.114 -2.494 1.00 0.00 C ATOM 1066 O ALA A 75 26.792 22.355 -1.930 1.00 0.00 O ATOM 1067 CB ALA A 75 25.787 20.125 -4.002 1.00 0.00 C ATOM 0 H ALA A 75 23.391 20.173 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 75 25.667 20.081 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.874 20.207 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.500 19.078 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.362 20.695 -4.829 1.00 0.00 H new ATOM 1073 N GLU A 76 24.917 23.063 -2.949 1.00 0.00 N ATOM 1074 CA GLU A 76 25.227 24.481 -2.804 1.00 0.00 C ATOM 1075 C GLU A 76 25.378 24.847 -1.331 1.00 0.00 C ATOM 1076 O GLU A 76 26.327 25.533 -0.939 1.00 0.00 O ATOM 1077 CB GLU A 76 24.126 25.333 -3.438 1.00 0.00 C ATOM 1078 CG GLU A 76 23.958 25.104 -4.929 1.00 0.00 C ATOM 1079 CD GLU A 76 25.196 25.483 -5.711 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.343 26.676 -6.048 1.00 0.00 O ATOM 1081 OE2 GLU A 76 26.024 24.593 -5.990 1.00 0.00 O ATOM 0 H GLU A 76 24.034 22.874 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 76 26.169 24.679 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.181 25.120 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.348 26.386 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.724 24.055 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.110 25.686 -5.290 1.00 0.00 H new ATOM 1088 N VAL A 77 24.449 24.358 -0.519 1.00 0.00 N ATOM 1089 CA VAL A 77 24.460 24.614 0.915 1.00 0.00 C ATOM 1090 C VAL A 77 25.726 24.039 1.547 1.00 0.00 C ATOM 1091 O VAL A 77 26.384 24.690 2.362 1.00 0.00 O ATOM 1092 CB VAL A 77 23.221 23.994 1.602 1.00 0.00 C ATOM 1093 CG1 VAL A 77 23.181 24.350 3.081 1.00 0.00 C ATOM 1094 CG2 VAL A 77 21.944 24.441 0.906 1.00 0.00 C ATOM 0 H VAL A 77 23.672 23.777 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 77 24.437 25.694 1.058 1.00 0.00 H new ATOM 0 HB VAL A 77 23.296 22.910 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.300 23.901 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 77 24.078 23.971 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 77 23.137 25.433 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.083 23.995 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 77 21.866 25.527 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 77 21.967 24.122 -0.136 1.00 0.00 H new ATOM 1104 N VAL A 78 26.075 22.828 1.138 1.00 0.00 N ATOM 1105 CA VAL A 78 27.228 22.132 1.692 1.00 0.00 C ATOM 1106 C VAL A 78 28.536 22.740 1.179 1.00 0.00 C ATOM 1107 O VAL A 78 29.526 22.806 1.907 1.00 0.00 O ATOM 1108 CB VAL A 78 27.186 20.625 1.362 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.271 19.876 2.117 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.816 20.044 1.679 1.00 0.00 C ATOM 0 H VAL A 78 25.573 22.304 0.421 1.00 0.00 H new ATOM 0 HA VAL A 78 27.187 22.250 2.775 1.00 0.00 H new ATOM 0 HB VAL A 78 27.371 20.507 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.222 18.816 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.248 20.270 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.123 20.004 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.807 18.981 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.600 20.179 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.058 20.556 1.086 1.00 0.00 H new ATOM 1120 N ALA A 79 28.523 23.218 -0.062 1.00 0.00 N ATOM 1121 CA ALA A 79 29.702 23.839 -0.666 1.00 0.00 C ATOM 1122 C ALA A 79 30.051 25.153 0.024 1.00 0.00 C ATOM 1123 O ALA A 79 31.141 25.699 -0.161 1.00 0.00 O ATOM 1124 CB ALA A 79 29.476 24.071 -2.154 1.00 0.00 C ATOM 0 H ALA A 79 27.706 23.188 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 79 30.542 23.156 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.362 24.534 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.286 23.117 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.618 24.729 -2.294 1.00 0.00 H new ATOM 1130 N THR A 80 29.119 25.655 0.820 1.00 0.00 N ATOM 1131 CA THR A 80 29.330 26.877 1.577 1.00 0.00 C ATOM 1132 C THR A 80 30.050 26.565 2.899 1.00 0.00 C ATOM 1133 O THR A 80 30.426 27.463 3.653 1.00 0.00 O ATOM 1134 CB THR A 80 27.976 27.573 1.852 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.244 27.708 0.624 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.163 28.954 2.467 1.00 0.00 C ATOM 0 H THR A 80 28.202 25.230 0.958 1.00 0.00 H new ATOM 0 HA THR A 80 29.956 27.550 0.991 1.00 0.00 H new ATOM 0 HB THR A 80 27.426 26.953 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 80 26.956 26.823 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 80 27.188 29.408 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 80 28.698 28.862 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 80 28.737 29.581 1.785 1.00 0.00 H new ATOM 1144 N SER A 81 30.259 25.281 3.160 1.00 0.00 N ATOM 1145 CA SER A 81 30.891 24.843 4.394 1.00 0.00 C ATOM 1146 C SER A 81 32.402 24.731 4.224 1.00 0.00 C ATOM 1147 O SER A 81 32.885 24.255 3.194 1.00 0.00 O ATOM 1148 CB SER A 81 30.328 23.486 4.811 1.00 0.00 C ATOM 1149 OG SER A 81 28.914 23.504 4.808 1.00 0.00 O ATOM 0 H SER A 81 29.998 24.523 2.529 1.00 0.00 H new ATOM 0 HA SER A 81 30.680 25.584 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.687 22.714 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.690 23.228 5.806 1.00 0.00 H new ATOM 0 HG SER A 81 28.588 23.407 3.889 1.00 0.00 H new ATOM 1155 N PRO A 82 33.169 25.195 5.221 1.00 0.00 N ATOM 1156 CA PRO A 82 34.610 24.955 5.280 1.00 0.00 C ATOM 1157 C PRO A 82 34.899 23.493 5.617 1.00 0.00 C ATOM 1158 O PRO A 82 34.041 22.810 6.181 1.00 0.00 O ATOM 1159 CB PRO A 82 35.096 25.866 6.418 1.00 0.00 C ATOM 1160 CG PRO A 82 33.944 26.758 6.747 1.00 0.00 C ATOM 1161 CD PRO A 82 32.705 26.011 6.350 1.00 0.00 C ATOM 0 HA PRO A 82 35.105 25.161 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.397 25.280 7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.965 26.447 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 82 33.929 26.998 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.018 27.703 6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.324 25.396 7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.901 26.686 6.058 1.00 0.00 H new ATOM 1169 N PRO A 83 36.104 22.989 5.291 1.00 0.00 N ATOM 1170 CA PRO A 83 36.480 21.587 5.545 1.00 0.00 C ATOM 1171 C PRO A 83 36.298 21.179 7.006 1.00 0.00 C ATOM 1172 O PRO A 83 36.071 20.007 7.310 1.00 0.00 O ATOM 1173 CB PRO A 83 37.960 21.535 5.155 1.00 0.00 C ATOM 1174 CG PRO A 83 38.134 22.652 4.188 1.00 0.00 C ATOM 1175 CD PRO A 83 37.193 23.735 4.637 1.00 0.00 C ATOM 0 HA PRO A 83 35.851 20.896 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.604 21.661 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.217 20.577 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.164 23.007 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.903 22.330 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.676 24.428 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.828 24.325 3.796 1.00 0.00 H new ATOM 1183 N GLN A 84 36.380 22.155 7.904 1.00 0.00 N ATOM 1184 CA GLN A 84 36.215 21.900 9.331 1.00 0.00 C ATOM 1185 C GLN A 84 34.782 21.475 9.645 1.00 0.00 C ATOM 1186 O GLN A 84 34.549 20.529 10.393 1.00 0.00 O ATOM 1187 CB GLN A 84 36.556 23.150 10.151 1.00 0.00 C ATOM 1188 CG GLN A 84 37.904 23.775 9.820 1.00 0.00 C ATOM 1189 CD GLN A 84 39.059 22.792 9.889 1.00 0.00 C ATOM 1190 OE1 GLN A 84 39.026 21.817 10.640 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.098 23.058 9.115 1.00 0.00 N ATOM 0 H GLN A 84 36.560 23.131 7.669 1.00 0.00 H new ATOM 0 HA GLN A 84 36.898 21.094 9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 84 35.776 23.895 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.541 22.890 11.209 1.00 0.00 H new ATOM 0 HG2 GLN A 84 37.861 24.204 8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.094 24.597 10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.085 23.877 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.913 22.444 9.126 1.00 0.00 H new ATOM 1200 N SER A 85 33.823 22.174 9.054 1.00 0.00 N ATOM 1201 CA SER A 85 32.418 21.967 9.377 1.00 0.00 C ATOM 1202 C SER A 85 31.737 21.049 8.364 1.00 0.00 C ATOM 1203 O SER A 85 30.632 20.563 8.604 1.00 0.00 O ATOM 1204 CB SER A 85 31.707 23.317 9.415 1.00 0.00 C ATOM 1205 OG SER A 85 32.460 24.255 10.166 1.00 0.00 O ATOM 0 H SER A 85 33.992 22.890 8.348 1.00 0.00 H new ATOM 0 HA SER A 85 32.358 21.484 10.352 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.563 23.687 8.400 1.00 0.00 H new ATOM 0 HB3 SER A 85 30.717 23.201 9.856 1.00 0.00 H new ATOM 0 HG SER A 85 31.991 25.115 10.179 1.00 0.00 H new ATOM 1211 N TYR A 86 32.415 20.805 7.245 1.00 0.00 N ATOM 1212 CA TYR A 86 31.853 20.035 6.134 1.00 0.00 C ATOM 1213 C TYR A 86 31.271 18.703 6.604 1.00 0.00 C ATOM 1214 O TYR A 86 30.128 18.373 6.288 1.00 0.00 O ATOM 1215 CB TYR A 86 32.928 19.785 5.067 1.00 0.00 C ATOM 1216 CG TYR A 86 32.401 19.135 3.803 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.179 17.763 3.739 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.127 19.894 2.672 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.695 17.170 2.589 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.644 19.308 1.518 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.431 17.946 1.481 1.00 0.00 C ATOM 1222 OH TYR A 86 30.952 17.356 0.333 1.00 0.00 O ATOM 0 H TYR A 86 33.367 21.134 7.081 1.00 0.00 H new ATOM 0 HA TYR A 86 31.041 20.622 5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.396 20.735 4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.707 19.152 5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.389 17.151 4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.295 20.961 2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.524 16.104 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.434 19.914 0.649 1.00 0.00 H new ATOM 0 HH TYR A 86 30.424 16.565 0.568 1.00 0.00 H new ATOM 1232 N SER A 87 32.054 17.950 7.367 1.00 0.00 N ATOM 1233 CA SER A 87 31.644 16.624 7.808 1.00 0.00 C ATOM 1234 C SER A 87 30.382 16.681 8.669 1.00 0.00 C ATOM 1235 O SER A 87 29.514 15.815 8.564 1.00 0.00 O ATOM 1236 CB SER A 87 32.782 15.961 8.581 1.00 0.00 C ATOM 1237 OG SER A 87 33.989 16.014 7.836 1.00 0.00 O ATOM 0 H SER A 87 32.977 18.236 7.693 1.00 0.00 H new ATOM 0 HA SER A 87 31.412 16.031 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.918 16.462 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.527 14.924 8.796 1.00 0.00 H new ATOM 0 HG SER A 87 34.708 15.586 8.347 1.00 0.00 H new ATOM 1243 N ALA A 88 30.272 17.712 9.494 1.00 0.00 N ATOM 1244 CA ALA A 88 29.124 17.858 10.378 1.00 0.00 C ATOM 1245 C ALA A 88 27.892 18.286 9.588 1.00 0.00 C ATOM 1246 O ALA A 88 26.767 17.878 9.890 1.00 0.00 O ATOM 1247 CB ALA A 88 29.432 18.860 11.479 1.00 0.00 C ATOM 0 H ALA A 88 30.962 18.459 9.570 1.00 0.00 H new ATOM 0 HA ALA A 88 28.914 16.893 10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.566 18.960 12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.286 18.512 12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.665 19.828 11.035 1.00 0.00 H new ATOM 1253 N VAL A 89 28.119 19.098 8.563 1.00 0.00 N ATOM 1254 CA VAL A 89 27.045 19.557 7.691 1.00 0.00 C ATOM 1255 C VAL A 89 26.511 18.394 6.866 1.00 0.00 C ATOM 1256 O VAL A 89 25.299 18.167 6.791 1.00 0.00 O ATOM 1257 CB VAL A 89 27.531 20.684 6.749 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.455 21.058 5.738 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.955 21.903 7.556 1.00 0.00 C ATOM 0 H VAL A 89 29.042 19.454 8.314 1.00 0.00 H new ATOM 0 HA VAL A 89 26.248 19.955 8.319 1.00 0.00 H new ATOM 0 HB VAL A 89 28.394 20.314 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.825 21.852 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.203 20.185 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.566 21.404 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.294 22.687 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.108 22.267 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.767 21.629 8.230 1.00 0.00 H new ATOM 1269 N LEU A 90 27.431 17.643 6.274 1.00 0.00 N ATOM 1270 CA LEU A 90 27.090 16.483 5.475 1.00 0.00 C ATOM 1271 C LEU A 90 26.333 15.465 6.326 1.00 0.00 C ATOM 1272 O LEU A 90 25.337 14.888 5.886 1.00 0.00 O ATOM 1273 CB LEU A 90 28.381 15.874 4.913 1.00 0.00 C ATOM 1274 CG LEU A 90 28.259 15.133 3.581 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.466 13.844 3.734 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.628 16.032 2.526 1.00 0.00 C ATOM 0 H LEU A 90 28.433 17.824 6.337 1.00 0.00 H new ATOM 0 HA LEU A 90 26.443 16.776 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.112 16.673 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.783 15.182 5.653 1.00 0.00 H new ATOM 0 HG LEU A 90 29.264 14.866 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.398 13.342 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.967 13.191 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.463 14.074 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.549 15.488 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.634 16.336 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.249 16.916 2.383 1.00 0.00 H new ATOM 1288 N ASN A 91 26.806 15.274 7.553 1.00 0.00 N ATOM 1289 CA ASN A 91 26.181 14.347 8.493 1.00 0.00 C ATOM 1290 C ASN A 91 24.728 14.726 8.748 1.00 0.00 C ATOM 1291 O ASN A 91 23.846 13.866 8.775 1.00 0.00 O ATOM 1292 CB ASN A 91 26.954 14.337 9.812 1.00 0.00 C ATOM 1293 CG ASN A 91 27.492 12.964 10.157 1.00 0.00 C ATOM 1294 OD1 ASN A 91 26.879 11.944 9.843 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.650 12.929 10.795 1.00 0.00 N ATOM 0 H ASN A 91 27.627 15.753 7.923 1.00 0.00 H new ATOM 0 HA ASN A 91 26.204 13.350 8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.782 15.043 9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.302 14.681 10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.068 12.033 11.045 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.126 13.798 11.037 1.00 0.00 H new ATOM 1302 N THR A 92 24.483 16.020 8.916 1.00 0.00 N ATOM 1303 CA THR A 92 23.137 16.521 9.139 1.00 0.00 C ATOM 1304 C THR A 92 22.239 16.198 7.945 1.00 0.00 C ATOM 1305 O THR A 92 21.152 15.637 8.102 1.00 0.00 O ATOM 1306 CB THR A 92 23.153 18.044 9.378 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.032 18.360 10.466 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.759 18.564 9.692 1.00 0.00 C ATOM 0 H THR A 92 25.204 16.742 8.901 1.00 0.00 H new ATOM 0 HA THR A 92 22.740 16.029 10.027 1.00 0.00 H new ATOM 0 HB THR A 92 23.507 18.523 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 92 24.961 18.216 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 92 21.801 19.641 9.856 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.094 18.350 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.382 18.075 10.590 1.00 0.00 H new ATOM 1316 N ILE A 93 22.717 16.536 6.752 1.00 0.00 N ATOM 1317 CA ILE A 93 21.975 16.287 5.521 1.00 0.00 C ATOM 1318 C ILE A 93 21.685 14.798 5.350 1.00 0.00 C ATOM 1319 O ILE A 93 20.549 14.404 5.087 1.00 0.00 O ATOM 1320 CB ILE A 93 22.752 16.796 4.284 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.044 18.296 4.411 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.983 16.508 2.999 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.804 19.159 4.564 1.00 0.00 C ATOM 0 H ILE A 93 23.621 16.986 6.611 1.00 0.00 H new ATOM 0 HA ILE A 93 21.034 16.832 5.599 1.00 0.00 H new ATOM 0 HB ILE A 93 23.701 16.261 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.694 18.457 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.595 18.624 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.551 16.876 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.832 15.433 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.015 17.009 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.097 20.206 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.162 19.031 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.262 18.861 5.462 1.00 0.00 H new ATOM 1335 N GLY A 94 22.718 13.979 5.521 1.00 0.00 N ATOM 1336 CA GLY A 94 22.585 12.545 5.329 1.00 0.00 C ATOM 1337 C GLY A 94 21.597 11.900 6.280 1.00 0.00 C ATOM 1338 O GLY A 94 20.969 10.892 5.946 1.00 0.00 O ATOM 0 H GLY A 94 23.652 14.286 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.271 12.351 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.561 12.077 5.458 1.00 0.00 H new ATOM 1342 N ALA A 95 21.461 12.476 7.462 1.00 0.00 N ATOM 1343 CA ALA A 95 20.563 11.943 8.473 1.00 0.00 C ATOM 1344 C ALA A 95 19.144 12.451 8.258 1.00 0.00 C ATOM 1345 O ALA A 95 18.208 11.661 8.128 1.00 0.00 O ATOM 1346 CB ALA A 95 21.054 12.310 9.868 1.00 0.00 C ATOM 0 H ALA A 95 21.963 13.317 7.746 1.00 0.00 H new ATOM 0 HA ALA A 95 20.554 10.857 8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.370 11.903 10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.050 11.895 10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.094 13.395 9.966 1.00 0.00 H new ATOM 1352 N CYS A 96 18.997 13.769 8.197 1.00 0.00 N ATOM 1353 CA CYS A 96 17.683 14.392 8.075 1.00 0.00 C ATOM 1354 C CYS A 96 16.964 13.959 6.798 1.00 0.00 C ATOM 1355 O CYS A 96 15.751 13.783 6.811 1.00 0.00 O ATOM 1356 CB CYS A 96 17.801 15.918 8.117 1.00 0.00 C ATOM 1357 SG CYS A 96 18.438 16.580 9.695 1.00 0.00 S ATOM 0 H CYS A 96 19.774 14.429 8.230 1.00 0.00 H new ATOM 0 HA CYS A 96 17.089 14.056 8.925 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.457 16.242 7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.820 16.352 7.924 1.00 0.00 H new ATOM 1362 N LEU A 97 17.713 13.776 5.708 1.00 0.00 N ATOM 1363 CA LEU A 97 17.125 13.368 4.429 1.00 0.00 C ATOM 1364 C LEU A 97 16.452 12.003 4.578 1.00 0.00 C ATOM 1365 O LEU A 97 15.359 11.777 4.063 1.00 0.00 O ATOM 1366 CB LEU A 97 18.212 13.335 3.336 1.00 0.00 C ATOM 1367 CG LEU A 97 17.729 13.395 1.872 1.00 0.00 C ATOM 1368 CD1 LEU A 97 17.121 12.077 1.426 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.729 14.526 1.675 1.00 0.00 C ATOM 0 H LEU A 97 18.725 13.903 5.685 1.00 0.00 H new ATOM 0 HA LEU A 97 16.366 14.092 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.889 14.172 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.795 12.423 3.464 1.00 0.00 H new ATOM 0 HG LEU A 97 18.605 13.588 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.793 12.160 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.866 11.286 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.266 11.838 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.404 14.547 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.866 14.366 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 97 17.200 15.476 1.927 1.00 0.00 H new ATOM 1381 N ARG A 98 17.103 11.108 5.309 1.00 0.00 N ATOM 1382 CA ARG A 98 16.545 9.785 5.564 1.00 0.00 C ATOM 1383 C ARG A 98 15.283 9.890 6.410 1.00 0.00 C ATOM 1384 O ARG A 98 14.246 9.310 6.085 1.00 0.00 O ATOM 1385 CB ARG A 98 17.575 8.907 6.269 1.00 0.00 C ATOM 1386 CG ARG A 98 18.632 8.353 5.335 1.00 0.00 C ATOM 1387 CD ARG A 98 19.742 7.664 6.100 1.00 0.00 C ATOM 1388 NE ARG A 98 20.587 6.859 5.213 1.00 0.00 N ATOM 1389 CZ ARG A 98 21.628 7.331 4.522 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.990 8.606 4.626 1.00 0.00 N ATOM 1391 NH2 ARG A 98 22.306 6.519 3.721 1.00 0.00 N ATOM 0 H ARG A 98 18.015 11.272 5.735 1.00 0.00 H new ATOM 0 HA ARG A 98 16.285 9.330 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.061 9.488 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.062 8.079 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.173 7.647 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.050 9.162 4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.353 8.410 6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.312 7.026 6.872 1.00 0.00 H new ATOM 0 HE ARG A 98 20.364 5.868 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.471 9.235 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.787 8.955 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.031 5.540 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.102 6.873 3.191 1.00 0.00 H new ATOM 1405 N GLU A 99 15.395 10.634 7.498 1.00 0.00 N ATOM 1406 CA GLU A 99 14.269 10.891 8.396 1.00 0.00 C ATOM 1407 C GLU A 99 13.077 11.471 7.647 1.00 0.00 C ATOM 1408 O GLU A 99 11.969 10.933 7.705 1.00 0.00 O ATOM 1409 CB GLU A 99 14.687 11.874 9.483 1.00 0.00 C ATOM 1410 CG GLU A 99 15.820 11.378 10.351 1.00 0.00 C ATOM 1411 CD GLU A 99 15.409 10.220 11.234 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.664 10.449 12.208 1.00 0.00 O ATOM 1413 OE2 GLU A 99 15.832 9.076 10.964 1.00 0.00 O ATOM 0 H GLU A 99 16.266 11.079 7.788 1.00 0.00 H new ATOM 0 HA GLU A 99 13.976 9.938 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.984 12.813 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.826 12.090 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.651 11.070 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 99 16.181 12.196 10.975 1.00 0.00 H new ATOM 1420 N SER A 100 13.315 12.576 6.956 1.00 0.00 N ATOM 1421 CA SER A 100 12.263 13.287 6.242 1.00 0.00 C ATOM 1422 C SER A 100 11.557 12.390 5.227 1.00 0.00 C ATOM 1423 O SER A 100 10.345 12.505 5.034 1.00 0.00 O ATOM 1424 CB SER A 100 12.842 14.519 5.550 1.00 0.00 C ATOM 1425 OG SER A 100 13.906 14.173 4.687 1.00 0.00 O ATOM 0 H SER A 100 14.237 13.004 6.874 1.00 0.00 H new ATOM 0 HA SER A 100 11.518 13.600 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.059 15.021 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.195 15.227 6.300 1.00 0.00 H new ATOM 0 HG SER A 100 14.679 13.890 5.218 1.00 0.00 H new ATOM 1431 N MET A 101 12.319 11.501 4.591 1.00 0.00 N ATOM 1432 CA MET A 101 11.766 10.559 3.618 1.00 0.00 C ATOM 1433 C MET A 101 10.621 9.750 4.219 1.00 0.00 C ATOM 1434 O MET A 101 9.519 9.696 3.664 1.00 0.00 O ATOM 1435 CB MET A 101 12.856 9.607 3.119 1.00 0.00 C ATOM 1436 CG MET A 101 13.668 10.145 1.952 1.00 0.00 C ATOM 1437 SD MET A 101 12.760 10.105 0.393 1.00 0.00 S ATOM 1438 CE MET A 101 12.500 8.343 0.192 1.00 0.00 C ATOM 0 H MET A 101 13.325 11.413 4.733 1.00 0.00 H new ATOM 0 HA MET A 101 11.378 11.139 2.781 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.532 9.382 3.944 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.393 8.666 2.821 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.968 11.171 2.166 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.582 9.560 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.371 8.113 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.363 7.801 0.579 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.607 8.042 0.740 1.00 0.00 H new ATOM 1448 N MET A 102 10.869 9.141 5.370 1.00 0.00 N ATOM 1449 CA MET A 102 9.876 8.267 5.979 1.00 0.00 C ATOM 1450 C MET A 102 8.789 9.066 6.681 1.00 0.00 C ATOM 1451 O MET A 102 7.655 8.610 6.799 1.00 0.00 O ATOM 1452 CB MET A 102 10.527 7.288 6.951 1.00 0.00 C ATOM 1453 CG MET A 102 11.107 7.928 8.200 1.00 0.00 C ATOM 1454 SD MET A 102 11.760 6.703 9.344 1.00 0.00 S ATOM 1455 CE MET A 102 10.352 5.601 9.460 1.00 0.00 C ATOM 0 H MET A 102 11.738 9.234 5.896 1.00 0.00 H new ATOM 0 HA MET A 102 9.411 7.696 5.175 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.786 6.546 7.249 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.321 6.754 6.430 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.901 8.620 7.918 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.335 8.515 8.699 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.377 5.079 10.416 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.431 6.179 9.386 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.391 4.874 8.649 1.00 0.00 H new ATOM 1465 N GLN A 103 9.139 10.264 7.126 1.00 0.00 N ATOM 1466 CA GLN A 103 8.185 11.140 7.798 1.00 0.00 C ATOM 1467 C GLN A 103 7.219 11.775 6.808 1.00 0.00 C ATOM 1468 O GLN A 103 6.309 12.507 7.197 1.00 0.00 O ATOM 1469 CB GLN A 103 8.917 12.218 8.589 1.00 0.00 C ATOM 1470 CG GLN A 103 9.256 11.782 10.002 1.00 0.00 C ATOM 1471 CD GLN A 103 10.198 12.732 10.713 1.00 0.00 C ATOM 1472 OE1 GLN A 103 11.488 12.448 10.635 1.00 0.00 O flip ATOM 1473 NE2 GLN A 103 9.770 13.698 11.347 1.00 0.00 N flip ATOM 0 H GLN A 103 10.077 10.654 7.035 1.00 0.00 H new ATOM 0 HA GLN A 103 7.603 10.529 8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.835 12.486 8.066 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.300 13.115 8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.335 11.695 10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.707 10.790 9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.767 13.882 11.382 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.418 14.314 11.837 1.00 0.00 H new ATOM 1482 N ALA A 104 7.433 11.509 5.530 1.00 0.00 N ATOM 1483 CA ALA A 104 6.512 11.954 4.500 1.00 0.00 C ATOM 1484 C ALA A 104 5.363 10.961 4.347 1.00 0.00 C ATOM 1485 O ALA A 104 4.221 11.266 4.698 1.00 0.00 O ATOM 1486 CB ALA A 104 7.238 12.144 3.179 1.00 0.00 C ATOM 0 H ALA A 104 8.237 10.987 5.182 1.00 0.00 H new ATOM 0 HA ALA A 104 6.096 12.916 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.531 12.478 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.022 12.892 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.683 11.199 2.869 1.00 0.00 H new ATOM 1492 N THR A 105 5.675 9.765 3.847 1.00 0.00 N ATOM 1493 CA THR A 105 4.656 8.742 3.621 1.00 0.00 C ATOM 1494 C THR A 105 5.254 7.472 3.013 1.00 0.00 C ATOM 1495 O THR A 105 4.766 6.370 3.255 1.00 0.00 O ATOM 1496 CB THR A 105 3.527 9.264 2.696 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.486 8.286 2.566 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.064 9.615 1.314 1.00 0.00 C ATOM 0 H THR A 105 6.621 9.482 3.592 1.00 0.00 H new ATOM 0 HA THR A 105 4.237 8.502 4.598 1.00 0.00 H new ATOM 0 HB THR A 105 3.121 10.166 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.782 8.634 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.249 9.978 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.824 10.391 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.504 8.728 0.858 1.00 0.00 H new ATOM 1506 N GLY A 106 6.327 7.621 2.246 1.00 0.00 N ATOM 1507 CA GLY A 106 6.839 6.500 1.483 1.00 0.00 C ATOM 1508 C GLY A 106 7.984 5.778 2.158 1.00 0.00 C ATOM 1509 O GLY A 106 8.707 5.032 1.497 1.00 0.00 O ATOM 0 H GLY A 106 6.848 8.491 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.029 5.792 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.170 6.857 0.508 1.00 0.00 H new ATOM 1513 N SER A 107 8.148 5.981 3.467 1.00 0.00 N ATOM 1514 CA SER A 107 9.258 5.396 4.205 1.00 0.00 C ATOM 1515 C SER A 107 10.597 5.881 3.643 1.00 0.00 C ATOM 1516 O SER A 107 10.641 6.723 2.745 1.00 0.00 O ATOM 1517 CB SER A 107 9.168 3.870 4.170 1.00 0.00 C ATOM 1518 OG SER A 107 7.991 3.419 4.821 1.00 0.00 O ATOM 0 H SER A 107 7.520 6.550 4.036 1.00 0.00 H new ATOM 0 HA SER A 107 9.196 5.720 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.172 3.525 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.044 3.438 4.654 1.00 0.00 H new ATOM 0 HG SER A 107 7.952 2.440 4.786 1.00 0.00 H new ATOM 1524 N VAL A 108 11.688 5.377 4.188 1.00 0.00 N ATOM 1525 CA VAL A 108 13.000 5.781 3.734 1.00 0.00 C ATOM 1526 C VAL A 108 13.705 4.634 3.016 1.00 0.00 C ATOM 1527 O VAL A 108 14.156 3.662 3.630 1.00 0.00 O ATOM 1528 CB VAL A 108 13.855 6.329 4.899 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.789 5.416 6.111 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.293 6.551 4.456 1.00 0.00 C ATOM 0 H VAL A 108 11.690 4.690 4.942 1.00 0.00 H new ATOM 0 HA VAL A 108 12.871 6.592 3.018 1.00 0.00 H new ATOM 0 HB VAL A 108 13.440 7.293 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.401 5.830 6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.756 5.334 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.163 4.428 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.876 6.937 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.721 5.606 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.314 7.270 3.637 1.00 0.00 H new ATOM 1540 N ASP A 109 13.738 4.739 1.697 1.00 0.00 N ATOM 1541 CA ASP A 109 14.428 3.767 0.861 1.00 0.00 C ATOM 1542 C ASP A 109 15.885 4.151 0.687 1.00 0.00 C ATOM 1543 O ASP A 109 16.207 5.325 0.488 1.00 0.00 O ATOM 1544 CB ASP A 109 13.751 3.648 -0.504 1.00 0.00 C ATOM 1545 CG ASP A 109 12.870 2.419 -0.604 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.409 1.316 -0.827 1.00 0.00 O ATOM 1547 OD2 ASP A 109 11.638 2.547 -0.454 1.00 0.00 O ATOM 0 H ASP A 109 13.291 5.495 1.178 1.00 0.00 H new ATOM 0 HA ASP A 109 14.378 2.799 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.150 4.539 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.513 3.611 -1.283 1.00 0.00 H new ATOM 1552 N ASN A 110 16.758 3.155 0.740 1.00 0.00 N ATOM 1553 CA ASN A 110 18.197 3.392 0.724 1.00 0.00 C ATOM 1554 C ASN A 110 18.661 3.949 -0.619 1.00 0.00 C ATOM 1555 O ASN A 110 19.557 4.783 -0.660 1.00 0.00 O ATOM 1556 CB ASN A 110 18.977 2.109 1.056 1.00 0.00 C ATOM 1557 CG ASN A 110 18.876 1.044 -0.025 1.00 0.00 C ATOM 1558 OD1 ASN A 110 19.673 1.015 -0.963 1.00 0.00 O ATOM 1559 ND2 ASN A 110 17.907 0.154 0.105 1.00 0.00 N ATOM 0 H ASN A 110 16.495 2.171 0.795 1.00 0.00 H new ATOM 0 HA ASN A 110 18.404 4.136 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 110 20.026 2.360 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 110 18.605 1.699 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.801 -0.589 -0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 110 17.266 0.210 0.896 1.00 0.00 H new ATOM 1566 N ALA A 111 18.036 3.504 -1.706 1.00 0.00 N ATOM 1567 CA ALA A 111 18.464 3.885 -3.052 1.00 0.00 C ATOM 1568 C ALA A 111 18.382 5.391 -3.270 1.00 0.00 C ATOM 1569 O ALA A 111 19.335 6.001 -3.749 1.00 0.00 O ATOM 1570 CB ALA A 111 17.634 3.156 -4.098 1.00 0.00 C ATOM 0 H ALA A 111 17.231 2.879 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 111 19.509 3.594 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 111 17.964 3.450 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.759 2.080 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.583 3.415 -3.973 1.00 0.00 H new ATOM 1576 N PHE A 112 17.254 5.985 -2.903 1.00 0.00 N ATOM 1577 CA PHE A 112 17.052 7.417 -3.098 1.00 0.00 C ATOM 1578 C PHE A 112 18.009 8.210 -2.222 1.00 0.00 C ATOM 1579 O PHE A 112 18.649 9.156 -2.683 1.00 0.00 O ATOM 1580 CB PHE A 112 15.602 7.804 -2.787 1.00 0.00 C ATOM 1581 CG PHE A 112 15.293 9.253 -3.047 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.044 9.697 -4.335 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.251 10.169 -2.007 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.759 11.025 -4.583 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.967 11.499 -2.249 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.722 11.928 -3.538 1.00 0.00 C ATOM 0 H PHE A 112 16.467 5.501 -2.470 1.00 0.00 H new ATOM 0 HA PHE A 112 17.256 7.654 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 112 14.934 7.186 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.392 7.579 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.073 8.996 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.442 9.839 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.565 11.357 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.937 12.203 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.502 12.968 -3.729 1.00 0.00 H new ATOM 1596 N THR A 113 18.124 7.808 -0.963 1.00 0.00 N ATOM 1597 CA THR A 113 19.023 8.476 -0.036 1.00 0.00 C ATOM 1598 C THR A 113 20.477 8.266 -0.454 1.00 0.00 C ATOM 1599 O THR A 113 21.350 9.069 -0.134 1.00 0.00 O ATOM 1600 CB THR A 113 18.800 7.976 1.406 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.959 6.555 1.471 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.404 8.344 1.885 1.00 0.00 C ATOM 0 H THR A 113 17.607 7.025 -0.563 1.00 0.00 H new ATOM 0 HA THR A 113 18.804 9.543 -0.063 1.00 0.00 H new ATOM 0 HB THR A 113 19.540 8.453 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 113 19.177 6.209 0.580 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.262 7.984 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.286 9.427 1.863 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.662 7.885 1.232 1.00 0.00 H new ATOM 1610 N ASN A 114 20.710 7.190 -1.197 1.00 0.00 N ATOM 1611 CA ASN A 114 22.029 6.867 -1.726 1.00 0.00 C ATOM 1612 C ASN A 114 22.395 7.825 -2.851 1.00 0.00 C ATOM 1613 O ASN A 114 23.461 8.443 -2.828 1.00 0.00 O ATOM 1614 CB ASN A 114 22.036 5.427 -2.243 1.00 0.00 C ATOM 1615 CG ASN A 114 23.364 5.003 -2.835 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.429 5.429 -2.387 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.303 4.156 -3.847 1.00 0.00 N ATOM 0 H ASN A 114 19.988 6.516 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 114 22.766 6.968 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.781 4.754 -1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.259 5.317 -2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.161 3.828 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.398 3.830 -4.185 1.00 0.00 H new ATOM 1624 N GLU A 115 21.494 7.949 -3.827 1.00 0.00 N ATOM 1625 CA GLU A 115 21.691 8.826 -4.959 1.00 0.00 C ATOM 1626 C GLU A 115 21.917 10.256 -4.497 1.00 0.00 C ATOM 1627 O GLU A 115 22.890 10.899 -4.893 1.00 0.00 O ATOM 1628 CB GLU A 115 20.468 8.751 -5.863 1.00 0.00 C ATOM 1629 CG GLU A 115 20.232 7.373 -6.451 1.00 0.00 C ATOM 1630 CD GLU A 115 19.022 7.321 -7.360 1.00 0.00 C ATOM 1631 OE1 GLU A 115 17.892 7.521 -6.869 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.197 7.059 -8.571 1.00 0.00 O ATOM 0 H GLU A 115 20.610 7.440 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 115 22.575 8.507 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.587 9.050 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.582 9.469 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.115 7.066 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.103 6.655 -5.641 1.00 0.00 H new ATOM 1639 N VAL A 116 21.020 10.738 -3.641 1.00 0.00 N ATOM 1640 CA VAL A 116 21.119 12.091 -3.108 1.00 0.00 C ATOM 1641 C VAL A 116 22.454 12.305 -2.395 1.00 0.00 C ATOM 1642 O VAL A 116 23.188 13.236 -2.718 1.00 0.00 O ATOM 1643 CB VAL A 116 19.956 12.408 -2.140 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.108 13.799 -1.540 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.620 12.289 -2.857 1.00 0.00 C ATOM 0 H VAL A 116 20.216 10.210 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 116 21.057 12.772 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 116 19.986 11.681 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.277 13.996 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.046 13.857 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.110 14.541 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.812 12.515 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.590 12.992 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.499 11.274 -3.235 1.00 0.00 H new ATOM 1655 N MET A 117 22.779 11.424 -1.450 1.00 0.00 N ATOM 1656 CA MET A 117 23.990 11.542 -0.666 1.00 0.00 C ATOM 1657 C MET A 117 25.227 11.562 -1.555 1.00 0.00 C ATOM 1658 O MET A 117 26.076 12.442 -1.424 1.00 0.00 O ATOM 1659 CB MET A 117 24.050 10.371 0.304 1.00 0.00 C ATOM 1660 CG MET A 117 25.193 10.444 1.279 1.00 0.00 C ATOM 1661 SD MET A 117 24.749 11.226 2.849 1.00 0.00 S ATOM 1662 CE MET A 117 24.277 12.877 2.326 1.00 0.00 C ATOM 0 H MET A 117 22.207 10.614 -1.213 1.00 0.00 H new ATOM 0 HA MET A 117 23.973 12.484 -0.118 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.114 10.324 0.860 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.129 9.445 -0.265 1.00 0.00 H new ATOM 0 HG2 MET A 117 25.559 9.436 1.474 1.00 0.00 H new ATOM 0 HG3 MET A 117 26.014 10.999 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.222 13.532 3.195 1.00 0.00 H new ATOM 0 HE2 MET A 117 25.019 13.263 1.627 1.00 0.00 H new ATOM 0 HE3 MET A 117 23.303 12.840 1.838 1.00 0.00 H new ATOM 1672 N GLN A 118 25.306 10.601 -2.465 1.00 0.00 N ATOM 1673 CA GLN A 118 26.445 10.481 -3.365 1.00 0.00 C ATOM 1674 C GLN A 118 26.624 11.752 -4.188 1.00 0.00 C ATOM 1675 O GLN A 118 27.716 12.322 -4.245 1.00 0.00 O ATOM 1676 CB GLN A 118 26.246 9.282 -4.294 1.00 0.00 C ATOM 1677 CG GLN A 118 27.406 9.042 -5.243 1.00 0.00 C ATOM 1678 CD GLN A 118 27.144 7.893 -6.194 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.002 7.625 -6.566 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.195 7.197 -6.584 1.00 0.00 N ATOM 0 H GLN A 118 24.589 9.888 -2.600 1.00 0.00 H new ATOM 0 HA GLN A 118 27.344 10.331 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.092 8.388 -3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.337 9.433 -4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.596 9.949 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.307 8.835 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.126 7.451 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.076 6.405 -7.216 1.00 0.00 H new ATOM 1689 N LEU A 119 25.540 12.201 -4.806 1.00 0.00 N ATOM 1690 CA LEU A 119 25.587 13.353 -5.692 1.00 0.00 C ATOM 1691 C LEU A 119 25.864 14.645 -4.929 1.00 0.00 C ATOM 1692 O LEU A 119 26.673 15.452 -5.372 1.00 0.00 O ATOM 1693 CB LEU A 119 24.289 13.457 -6.492 1.00 0.00 C ATOM 1694 CG LEU A 119 24.156 12.442 -7.629 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.693 12.204 -7.967 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.902 12.928 -8.861 1.00 0.00 C ATOM 0 H LEU A 119 24.615 11.782 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 119 26.415 13.208 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.447 13.332 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 119 24.215 14.461 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 119 24.594 11.500 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.620 11.479 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 119 22.175 11.819 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 119 22.234 13.143 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.798 12.196 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 119 24.486 13.882 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.957 13.056 -8.620 1.00 0.00 H new ATOM 1708 N VAL A 120 25.211 14.835 -3.783 1.00 0.00 N ATOM 1709 CA VAL A 120 25.432 16.037 -2.971 1.00 0.00 C ATOM 1710 C VAL A 120 26.912 16.201 -2.640 1.00 0.00 C ATOM 1711 O VAL A 120 27.490 17.261 -2.860 1.00 0.00 O ATOM 1712 CB VAL A 120 24.616 16.015 -1.654 1.00 0.00 C ATOM 1713 CG1 VAL A 120 25.056 17.134 -0.717 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.130 16.139 -1.943 1.00 0.00 C ATOM 0 H VAL A 120 24.531 14.181 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 120 25.091 16.882 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 120 24.804 15.060 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.467 17.094 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.112 17.012 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.905 18.097 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.574 16.122 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.937 17.078 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.810 15.306 -2.570 1.00 0.00 H new ATOM 1724 N LYS A 121 27.518 15.135 -2.141 1.00 0.00 N ATOM 1725 CA LYS A 121 28.922 15.158 -1.749 1.00 0.00 C ATOM 1726 C LYS A 121 29.820 15.432 -2.952 1.00 0.00 C ATOM 1727 O LYS A 121 30.728 16.261 -2.889 1.00 0.00 O ATOM 1728 CB LYS A 121 29.298 13.825 -1.103 1.00 0.00 C ATOM 1729 CG LYS A 121 28.490 13.524 0.146 1.00 0.00 C ATOM 1730 CD LYS A 121 28.645 12.080 0.591 1.00 0.00 C ATOM 1731 CE LYS A 121 30.056 11.793 1.084 1.00 0.00 C ATOM 1732 NZ LYS A 121 30.210 10.395 1.565 1.00 0.00 N ATOM 0 H LYS A 121 27.057 14.236 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 121 29.068 15.963 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.152 13.023 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.358 13.836 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.807 14.187 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.437 13.734 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.931 11.865 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 121 28.407 11.415 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.765 11.978 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.304 12.482 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 31.186 10.246 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 29.552 10.224 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.999 9.736 0.789 1.00 0.00 H new ATOM 1746 N MET A 122 29.537 14.751 -4.053 1.00 0.00 N ATOM 1747 CA MET A 122 30.344 14.867 -5.262 1.00 0.00 C ATOM 1748 C MET A 122 30.222 16.258 -5.880 1.00 0.00 C ATOM 1749 O MET A 122 31.201 16.821 -6.369 1.00 0.00 O ATOM 1750 CB MET A 122 29.921 13.788 -6.266 1.00 0.00 C ATOM 1751 CG MET A 122 30.642 13.855 -7.601 1.00 0.00 C ATOM 1752 SD MET A 122 30.186 12.497 -8.697 1.00 0.00 S ATOM 1753 CE MET A 122 28.412 12.730 -8.833 1.00 0.00 C ATOM 0 H MET A 122 28.750 14.108 -4.135 1.00 0.00 H new ATOM 0 HA MET A 122 31.391 14.720 -4.997 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.095 12.808 -5.822 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.849 13.873 -6.442 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.413 14.803 -8.087 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.718 13.835 -7.431 1.00 0.00 H new ATOM 0 HE1 MET A 122 28.080 12.425 -9.825 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.907 12.126 -8.079 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.170 13.781 -8.677 1.00 0.00 H new ATOM 1763 N LEU A 123 29.026 16.819 -5.829 1.00 0.00 N ATOM 1764 CA LEU A 123 28.772 18.128 -6.414 1.00 0.00 C ATOM 1765 C LEU A 123 29.122 19.243 -5.429 1.00 0.00 C ATOM 1766 O LEU A 123 28.945 20.422 -5.731 1.00 0.00 O ATOM 1767 CB LEU A 123 27.305 18.238 -6.844 1.00 0.00 C ATOM 1768 CG LEU A 123 26.839 17.183 -7.854 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.337 17.272 -8.062 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.565 17.346 -9.182 1.00 0.00 C ATOM 0 H LEU A 123 28.213 16.389 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 123 29.407 18.240 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.677 18.170 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 123 27.142 19.226 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 123 27.079 16.199 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.024 16.516 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.828 17.103 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 123 25.080 18.261 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 123 27.218 16.586 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.360 18.336 -9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.638 17.233 -9.026 1.00 0.00 H new ATOM 1782 N SER A 124 29.629 18.869 -4.258 1.00 0.00 N ATOM 1783 CA SER A 124 29.966 19.852 -3.233 1.00 0.00 C ATOM 1784 C SER A 124 31.466 19.882 -2.954 1.00 0.00 C ATOM 1785 O SER A 124 32.015 20.919 -2.581 1.00 0.00 O ATOM 1786 CB SER A 124 29.203 19.568 -1.936 1.00 0.00 C ATOM 1787 OG SER A 124 29.542 20.505 -0.928 1.00 0.00 O ATOM 0 H SER A 124 29.814 17.901 -3.996 1.00 0.00 H new ATOM 0 HA SER A 124 29.670 20.829 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 124 28.130 19.606 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 124 29.430 18.559 -1.590 1.00 0.00 H new ATOM 0 HG SER A 124 30.031 21.254 -1.329 1.00 0.00 H new ATOM 1793 N ALA A 125 32.124 18.748 -3.128 1.00 0.00 N ATOM 1794 CA ALA A 125 33.539 18.650 -2.844 1.00 0.00 C ATOM 1795 C ALA A 125 34.358 19.099 -4.035 1.00 0.00 C ATOM 1796 O ALA A 125 34.635 18.331 -4.954 1.00 0.00 O ATOM 1797 CB ALA A 125 33.916 17.242 -2.437 1.00 0.00 C ATOM 0 H ALA A 125 31.698 17.885 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 125 33.759 19.313 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.985 17.197 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.361 16.961 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.674 16.552 -3.246 1.00 0.00 H new