USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 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= -0.143 K(o=1.1,f=-5.8!) USER MOD Set 1.2: A 68 THR OG1 : rot -11:sc= 1.23 USER MOD Set 2.1: A 49 SER OG : rot 180:sc= -0.274 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -172:sc= 0.602 (180deg=0.539) USER MOD Set 3.1: A 46 SER OG : rot 130:sc= 0.0587 USER MOD Set 3.2: A 50 GLN : amide:sc= 1.1 K(o=1.2,f=-0.081) USER MOD Set 4.1: A 36 GLN : amide:sc= 0.106 K(o=-0.13,f=-5.6!) USER MOD Set 4.2: A 81 SER OG : rot 79:sc= -0.236 USER MOD Set 5.1: A 16 MET CE :methyl 173:sc= -3.72! (180deg=-3.84!) USER MOD Set 5.2: A 19 THR OG1 : rot -110:sc= -0.0786 USER MOD Single : A 10 THR OG1 : rot -22:sc= 0.528 USER MOD Single : A 11 ASN : amide:sc= -0.283 K(o=-0.28,f=-0.81) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 18 MET CE :methyl -141:sc= -1.37 (180deg=-3.02!) USER MOD Single : A 20 ASN : amide:sc= 1.05 K(o=1.1,f=-0.039) USER MOD Single : A 21 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.3!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 27 SER OG : rot 47:sc= 1.41 USER MOD Single : A 29 SER OG : rot -83:sc= 1.47 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 37 MET CE :methyl -178:sc= 0 (180deg=-0.00292) USER MOD Single : A 40 MET CE :methyl -159:sc= -0.0921 (180deg=-0.749) USER MOD Single : A 42 MET CE :methyl 156:sc= -0.137 (180deg=-0.716) USER MOD Single : A 43 MET CE :methyl -146:sc= -0.425 (180deg=-1.85) USER MOD Single : A 48 ASN : amide:sc= -1.15 K(o=-1.2,f=-8!) USER MOD Single : A 51 MET CE :methyl 158:sc= -2.35! (180deg=-5.85!) USER MOD Single : A 52 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 54 MET CE :methyl 178:sc= -2.48! (180deg=-2.51!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0.623 K(o=0.62,f=-3.6!) USER MOD Single : A 61 HIS : no HD1:sc= -0.878 X(o=-0.88,f=-0.47) USER MOD Single : A 66 MET CE :methyl -130:sc= -0.317 (180deg=-1.01) USER MOD Single : A 70 MET CE :methyl -174:sc= -0.0533 (180deg=-0.115) USER MOD Single : A 80 THR OG1 : rot 70:sc= 0.257 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -38:sc= 0.0226 USER MOD Single : A 86 TYR OH : rot -103:sc= 0.681 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.08 K(o=1.1,f=-0.19) USER MOD Single : A 92 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 100 SER OG : rot 74:sc= 1.27 USER MOD Single : A 101 MET CE :methyl 161:sc= -0.488 (180deg=-1.39) USER MOD Single : A 102 MET CE :methyl -151:sc= -0.404 (180deg=-1.63!) USER MOD Single : A 103 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.79) 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= -0.225 X(o=-0.23,f=-0.079) USER MOD Single : A 113 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 114 ASN : amide:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : A 117 MET CE :methyl -136:sc= -0.0544 (180deg=-0.177) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 139:sc= -0.204 (180deg=-0.786) USER MOD Single : A 124 SER OG : rot -120:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.763 8.219 -4.439 1.00 0.00 N ATOM 82 CA ILE A 8 7.979 9.232 -3.685 1.00 0.00 C ATOM 83 C ILE A 8 7.569 10.472 -4.504 1.00 0.00 C ATOM 84 O ILE A 8 6.640 11.184 -4.126 1.00 0.00 O ATOM 85 CB ILE A 8 8.683 9.664 -2.357 1.00 0.00 C ATOM 86 CG1 ILE A 8 7.682 10.333 -1.412 1.00 0.00 C ATOM 87 CG2 ILE A 8 9.843 10.617 -2.609 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.120 10.338 0.034 1.00 0.00 C ATOM 0 HA ILE A 8 7.053 8.713 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 8 9.077 8.757 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.521 11.361 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.724 9.820 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.302 10.891 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.584 10.129 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.475 11.515 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.360 10.828 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.253 9.312 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.063 10.877 0.127 1.00 0.00 H new ATOM 100 N TRP A 9 8.214 10.703 -5.636 1.00 0.00 N ATOM 101 CA TRP A 9 7.950 11.891 -6.445 1.00 0.00 C ATOM 102 C TRP A 9 6.594 11.833 -7.149 1.00 0.00 C ATOM 103 O TRP A 9 6.190 12.793 -7.799 1.00 0.00 O ATOM 104 CB TRP A 9 9.053 12.077 -7.481 1.00 0.00 C ATOM 105 CG TRP A 9 10.376 12.439 -6.897 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.489 11.659 -6.877 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.724 13.663 -6.245 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.519 12.326 -6.264 1.00 0.00 N ATOM 109 CE2 TRP A 9 12.073 13.558 -5.860 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.026 14.836 -5.949 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.739 14.585 -5.196 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.686 15.855 -5.290 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.031 15.724 -4.919 1.00 0.00 C ATOM 0 H TRP A 9 8.927 10.083 -6.020 1.00 0.00 H new ATOM 0 HA TRP A 9 7.930 12.740 -5.762 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.159 11.155 -8.053 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.752 12.855 -8.183 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.553 10.661 -7.284 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.463 11.964 -6.130 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.989 14.944 -6.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.776 14.487 -4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.157 16.767 -5.057 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.519 16.538 -4.404 1.00 0.00 H new ATOM 124 N THR A 10 5.888 10.720 -7.019 1.00 0.00 N ATOM 125 CA THR A 10 4.597 10.577 -7.654 1.00 0.00 C ATOM 126 C THR A 10 3.492 11.190 -6.790 1.00 0.00 C ATOM 127 O THR A 10 2.338 11.286 -7.216 1.00 0.00 O ATOM 128 CB THR A 10 4.280 9.096 -7.956 1.00 0.00 C ATOM 129 OG1 THR A 10 2.975 8.990 -8.517 1.00 0.00 O ATOM 130 CG2 THR A 10 4.364 8.244 -6.698 1.00 0.00 C ATOM 0 H THR A 10 6.190 9.908 -6.481 1.00 0.00 H new ATOM 0 HA THR A 10 4.637 11.116 -8.601 1.00 0.00 H new ATOM 0 HB THR A 10 5.021 8.729 -8.666 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.447 9.777 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.135 7.207 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.370 8.305 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.646 8.609 -5.963 1.00 0.00 H new ATOM 138 N ASN A 11 3.852 11.607 -5.580 1.00 0.00 N ATOM 139 CA ASN A 11 2.905 12.252 -4.680 1.00 0.00 C ATOM 140 C ASN A 11 3.502 13.543 -4.134 1.00 0.00 C ATOM 141 O ASN A 11 4.327 13.526 -3.217 1.00 0.00 O ATOM 142 CB ASN A 11 2.503 11.305 -3.542 1.00 0.00 C ATOM 143 CG ASN A 11 1.524 11.937 -2.566 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.786 12.860 -2.911 1.00 0.00 O ATOM 145 ND2 ASN A 11 1.491 11.422 -1.347 1.00 0.00 N ATOM 0 H ASN A 11 4.794 11.509 -5.201 1.00 0.00 H new ATOM 0 HA ASN A 11 2.002 12.498 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.057 10.405 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.397 10.994 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.838 11.790 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.119 10.657 -1.099 1.00 0.00 H new ATOM 152 N PRO A 12 3.102 14.680 -4.729 1.00 0.00 N ATOM 153 CA PRO A 12 3.632 16.003 -4.384 1.00 0.00 C ATOM 154 C PRO A 12 3.584 16.313 -2.891 1.00 0.00 C ATOM 155 O PRO A 12 4.548 16.840 -2.331 1.00 0.00 O ATOM 156 CB PRO A 12 2.727 16.964 -5.159 1.00 0.00 C ATOM 157 CG PRO A 12 2.233 16.167 -6.313 1.00 0.00 C ATOM 158 CD PRO A 12 2.106 14.754 -5.815 1.00 0.00 C ATOM 0 HA PRO A 12 4.689 16.080 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.903 17.318 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.277 17.844 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.273 16.544 -6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.926 16.224 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.100 14.546 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.317 14.031 -6.603 1.00 0.00 H new ATOM 166 N ASN A 13 2.469 15.984 -2.251 1.00 0.00 N ATOM 167 CA ASN A 13 2.306 16.238 -0.822 1.00 0.00 C ATOM 168 C ASN A 13 3.402 15.539 -0.029 1.00 0.00 C ATOM 169 O ASN A 13 4.017 16.133 0.858 1.00 0.00 O ATOM 170 CB ASN A 13 0.931 15.768 -0.335 1.00 0.00 C ATOM 171 CG ASN A 13 0.712 16.024 1.148 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.033 15.183 1.994 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.158 17.182 1.477 1.00 0.00 N ATOM 0 H ASN A 13 1.665 15.542 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 13 2.381 17.314 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.155 16.278 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.825 14.702 -0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.017 17.404 2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.094 17.852 0.750 1.00 0.00 H new ATOM 180 N ALA A 14 3.667 14.290 -0.381 1.00 0.00 N ATOM 181 CA ALA A 14 4.648 13.484 0.331 1.00 0.00 C ATOM 182 C ALA A 14 6.056 13.995 0.074 1.00 0.00 C ATOM 183 O ALA A 14 6.862 14.124 0.997 1.00 0.00 O ATOM 184 CB ALA A 14 4.536 12.027 -0.083 1.00 0.00 C ATOM 0 H ALA A 14 3.214 13.811 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 14 4.443 13.564 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.276 11.437 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.537 11.658 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.714 11.939 -1.155 1.00 0.00 H new ATOM 190 N ALA A 15 6.340 14.299 -1.185 1.00 0.00 N ATOM 191 CA ALA A 15 7.657 14.768 -1.573 1.00 0.00 C ATOM 192 C ALA A 15 7.990 16.095 -0.891 1.00 0.00 C ATOM 193 O ALA A 15 9.100 16.287 -0.388 1.00 0.00 O ATOM 194 CB ALA A 15 7.748 14.896 -3.083 1.00 0.00 C ATOM 0 H ALA A 15 5.673 14.228 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 15 8.392 14.034 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.742 15.249 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.568 13.924 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.000 15.607 -3.434 1.00 0.00 H new ATOM 200 N MET A 16 7.023 17.004 -0.850 1.00 0.00 N ATOM 201 CA MET A 16 7.219 18.275 -0.171 1.00 0.00 C ATOM 202 C MET A 16 7.324 18.087 1.337 1.00 0.00 C ATOM 203 O MET A 16 8.002 18.861 2.012 1.00 0.00 O ATOM 204 CB MET A 16 6.101 19.255 -0.509 1.00 0.00 C ATOM 205 CG MET A 16 6.518 20.336 -1.489 1.00 0.00 C ATOM 206 SD MET A 16 7.875 21.363 -0.886 1.00 0.00 S ATOM 207 CE MET A 16 9.260 20.682 -1.800 1.00 0.00 C ATOM 0 H MET A 16 6.104 16.885 -1.275 1.00 0.00 H new ATOM 0 HA MET A 16 8.161 18.693 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.259 18.703 -0.926 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.750 19.725 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.814 19.870 -2.429 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.659 20.971 -1.705 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.146 21.294 -1.628 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.452 19.663 -1.464 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.025 20.675 -2.864 1.00 0.00 H new ATOM 217 N THR A 17 6.670 17.056 1.863 1.00 0.00 N ATOM 218 CA THR A 17 6.767 16.747 3.286 1.00 0.00 C ATOM 219 C THR A 17 8.223 16.491 3.667 1.00 0.00 C ATOM 220 O THR A 17 8.708 16.998 4.678 1.00 0.00 O ATOM 221 CB THR A 17 5.904 15.524 3.669 1.00 0.00 C ATOM 222 OG1 THR A 17 4.524 15.789 3.387 1.00 0.00 O ATOM 223 CG2 THR A 17 6.061 15.186 5.144 1.00 0.00 C ATOM 0 H THR A 17 6.072 16.425 1.330 1.00 0.00 H new ATOM 0 HA THR A 17 6.388 17.608 3.836 1.00 0.00 H new ATOM 0 HB THR A 17 6.243 14.674 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.332 15.566 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.443 14.322 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.105 14.956 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.747 16.038 5.748 1.00 0.00 H new ATOM 231 N MET A 18 8.923 15.728 2.829 1.00 0.00 N ATOM 232 CA MET A 18 10.340 15.451 3.051 1.00 0.00 C ATOM 233 C MET A 18 11.130 16.747 3.048 1.00 0.00 C ATOM 234 O MET A 18 11.834 17.071 3.999 1.00 0.00 O ATOM 235 CB MET A 18 10.922 14.577 1.941 1.00 0.00 C ATOM 236 CG MET A 18 10.060 13.411 1.509 1.00 0.00 C ATOM 237 SD MET A 18 10.864 12.443 0.218 1.00 0.00 S ATOM 238 CE MET A 18 11.178 13.706 -1.022 1.00 0.00 C ATOM 0 H MET A 18 8.533 15.292 1.993 1.00 0.00 H new ATOM 0 HA MET A 18 10.415 14.938 4.010 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.115 15.205 1.071 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.885 14.190 2.275 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.851 12.773 2.368 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.101 13.780 1.145 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.001 13.293 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.511 14.552 -0.857 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.213 14.040 -0.947 1.00 0.00 H new ATOM 248 N THR A 19 10.986 17.476 1.952 1.00 0.00 N ATOM 249 CA THR A 19 11.787 18.655 1.682 1.00 0.00 C ATOM 250 C THR A 19 11.610 19.728 2.761 1.00 0.00 C ATOM 251 O THR A 19 12.584 20.334 3.205 1.00 0.00 O ATOM 252 CB THR A 19 11.426 19.230 0.304 1.00 0.00 C ATOM 253 OG1 THR A 19 11.185 18.154 -0.619 1.00 0.00 O ATOM 254 CG2 THR A 19 12.556 20.088 -0.236 1.00 0.00 C ATOM 0 H THR A 19 10.306 17.263 1.222 1.00 0.00 H new ATOM 0 HA THR A 19 12.834 18.351 1.690 1.00 0.00 H new ATOM 0 HB THR A 19 10.532 19.844 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.909 18.120 -1.279 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.277 20.484 -1.213 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.746 20.914 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.457 19.483 -0.334 1.00 0.00 H new ATOM 262 N ASN A 20 10.372 19.947 3.198 1.00 0.00 N ATOM 263 CA ASN A 20 10.103 20.938 4.234 1.00 0.00 C ATOM 264 C ASN A 20 10.736 20.517 5.550 1.00 0.00 C ATOM 265 O ASN A 20 11.335 21.333 6.251 1.00 0.00 O ATOM 266 CB ASN A 20 8.597 21.153 4.422 1.00 0.00 C ATOM 267 CG ASN A 20 8.004 22.090 3.384 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.015 23.309 3.553 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.472 21.531 2.309 1.00 0.00 N ATOM 0 H ASN A 20 9.547 19.456 2.854 1.00 0.00 H new ATOM 0 HA ASN A 20 10.544 21.881 3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.088 20.191 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.413 21.557 5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.052 22.115 1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.482 20.516 2.204 1.00 0.00 H new ATOM 276 N ASN A 21 10.626 19.233 5.868 1.00 0.00 N ATOM 277 CA ASN A 21 11.222 18.695 7.081 1.00 0.00 C ATOM 278 C ASN A 21 12.741 18.746 7.003 1.00 0.00 C ATOM 279 O ASN A 21 13.409 18.988 8.003 1.00 0.00 O ATOM 280 CB ASN A 21 10.763 17.258 7.328 1.00 0.00 C ATOM 281 CG ASN A 21 9.369 17.168 7.916 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.925 18.063 8.636 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.669 16.085 7.618 1.00 0.00 N ATOM 0 H ASN A 21 10.129 18.546 5.301 1.00 0.00 H new ATOM 0 HA ASN A 21 10.890 19.314 7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.789 16.708 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.467 16.770 8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.726 15.969 7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.073 15.366 7.018 1.00 0.00 H new ATOM 290 N LEU A 22 13.278 18.525 5.811 1.00 0.00 N ATOM 291 CA LEU A 22 14.714 18.597 5.588 1.00 0.00 C ATOM 292 C LEU A 22 15.236 19.983 5.945 1.00 0.00 C ATOM 293 O LEU A 22 16.209 20.121 6.690 1.00 0.00 O ATOM 294 CB LEU A 22 15.038 18.280 4.126 1.00 0.00 C ATOM 295 CG LEU A 22 16.513 18.409 3.736 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.355 17.370 4.461 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.672 18.279 2.229 1.00 0.00 C ATOM 0 H LEU A 22 12.736 18.293 4.979 1.00 0.00 H new ATOM 0 HA LEU A 22 15.201 17.861 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.711 17.263 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.452 18.944 3.490 1.00 0.00 H new ATOM 0 HG LEU A 22 16.866 19.396 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.399 17.480 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.262 17.513 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.008 16.371 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.725 18.373 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.302 17.306 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.103 19.066 1.734 1.00 0.00 H new ATOM 309 N VAL A 23 14.571 21.003 5.418 1.00 0.00 N ATOM 310 CA VAL A 23 14.949 22.385 5.681 1.00 0.00 C ATOM 311 C VAL A 23 14.796 22.717 7.163 1.00 0.00 C ATOM 312 O VAL A 23 15.700 23.285 7.777 1.00 0.00 O ATOM 313 CB VAL A 23 14.107 23.376 4.843 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.506 24.817 5.135 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.248 23.079 3.358 1.00 0.00 C ATOM 0 H VAL A 23 13.764 20.898 4.803 1.00 0.00 H new ATOM 0 HA VAL A 23 15.995 22.490 5.393 1.00 0.00 H new ATOM 0 HB VAL A 23 13.062 23.248 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.898 25.492 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.347 25.031 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.558 24.960 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.648 23.787 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.294 23.171 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.903 22.065 3.155 1.00 0.00 H new ATOM 325 N GLN A 24 13.662 22.337 7.742 1.00 0.00 N ATOM 326 CA GLN A 24 13.374 22.681 9.128 1.00 0.00 C ATOM 327 C GLN A 24 14.294 21.911 10.076 1.00 0.00 C ATOM 328 O GLN A 24 14.709 22.437 11.103 1.00 0.00 O ATOM 329 CB GLN A 24 11.889 22.445 9.456 1.00 0.00 C ATOM 330 CG GLN A 24 11.482 20.989 9.611 1.00 0.00 C ATOM 331 CD GLN A 24 11.226 20.610 11.053 1.00 0.00 C ATOM 332 OE1 GLN A 24 12.129 20.175 11.764 1.00 0.00 O ATOM 333 NE2 GLN A 24 9.990 20.777 11.495 1.00 0.00 N ATOM 0 H GLN A 24 12.933 21.795 7.277 1.00 0.00 H new ATOM 0 HA GLN A 24 13.571 23.744 9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.650 22.972 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.284 22.892 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.583 20.802 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.266 20.350 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.270 21.141 10.871 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.757 20.542 12.460 1.00 0.00 H new ATOM 342 N CYS A 25 14.641 20.684 9.707 1.00 0.00 N ATOM 343 CA CYS A 25 15.548 19.869 10.510 1.00 0.00 C ATOM 344 C CYS A 25 16.938 20.489 10.549 1.00 0.00 C ATOM 345 O CYS A 25 17.518 20.672 11.617 1.00 0.00 O ATOM 346 CB CYS A 25 15.628 18.444 9.951 1.00 0.00 C ATOM 347 SG CYS A 25 16.825 17.368 10.809 1.00 0.00 S ATOM 0 H CYS A 25 14.308 20.230 8.856 1.00 0.00 H new ATOM 0 HA CYS A 25 15.155 19.828 11.526 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.640 17.987 10.009 1.00 0.00 H new ATOM 0 HB3 CYS A 25 15.894 18.495 8.895 1.00 0.00 H new ATOM 352 N ALA A 26 17.460 20.835 9.378 1.00 0.00 N ATOM 353 CA ALA A 26 18.790 21.421 9.286 1.00 0.00 C ATOM 354 C ALA A 26 18.822 22.804 9.933 1.00 0.00 C ATOM 355 O ALA A 26 19.863 23.255 10.409 1.00 0.00 O ATOM 356 CB ALA A 26 19.237 21.488 7.835 1.00 0.00 C ATOM 0 H ALA A 26 16.984 20.720 8.483 1.00 0.00 H new ATOM 0 HA ALA A 26 19.487 20.784 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.233 21.928 7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.261 20.482 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.538 22.102 7.267 1.00 0.00 H new ATOM 362 N SER A 27 17.668 23.460 9.966 1.00 0.00 N ATOM 363 CA SER A 27 17.539 24.773 10.585 1.00 0.00 C ATOM 364 C SER A 27 17.535 24.651 12.108 1.00 0.00 C ATOM 365 O SER A 27 17.764 25.626 12.825 1.00 0.00 O ATOM 366 CB SER A 27 16.244 25.444 10.118 1.00 0.00 C ATOM 367 OG SER A 27 16.143 26.775 10.599 1.00 0.00 O ATOM 0 H SER A 27 16.801 23.100 9.567 1.00 0.00 H new ATOM 0 HA SER A 27 18.392 25.382 10.285 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.207 25.446 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.388 24.865 10.465 1.00 0.00 H new ATOM 0 HG SER A 27 16.993 27.241 10.454 1.00 0.00 H new ATOM 373 N ARG A 28 17.277 23.448 12.594 1.00 0.00 N ATOM 374 CA ARG A 28 17.182 23.203 14.024 1.00 0.00 C ATOM 375 C ARG A 28 18.280 22.243 14.473 1.00 0.00 C ATOM 376 O ARG A 28 18.201 21.649 15.546 1.00 0.00 O ATOM 377 CB ARG A 28 15.804 22.621 14.354 1.00 0.00 C ATOM 378 CG ARG A 28 14.643 23.512 13.938 1.00 0.00 C ATOM 379 CD ARG A 28 14.604 24.803 14.737 1.00 0.00 C ATOM 380 NE ARG A 28 14.299 24.561 16.146 1.00 0.00 N ATOM 381 CZ ARG A 28 13.903 25.508 16.997 1.00 0.00 C ATOM 382 NH1 ARG A 28 13.791 26.767 16.595 1.00 0.00 N ATOM 383 NH2 ARG A 28 13.618 25.193 18.252 1.00 0.00 N ATOM 0 H ARG A 28 17.129 22.621 12.015 1.00 0.00 H new ATOM 0 HA ARG A 28 17.311 24.146 14.556 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.702 21.654 13.862 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.744 22.440 15.427 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.726 23.745 12.876 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.705 22.973 14.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.565 25.310 14.655 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.854 25.471 14.312 1.00 0.00 H new ATOM 0 HE ARG A 28 14.395 23.609 16.500 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.008 27.015 15.630 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.488 27.487 17.251 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.702 24.226 18.567 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.315 25.917 18.903 1.00 0.00 H new ATOM 397 N SER A 29 19.308 22.111 13.646 1.00 0.00 N ATOM 398 CA SER A 29 20.392 21.180 13.918 1.00 0.00 C ATOM 399 C SER A 29 21.344 21.729 14.978 1.00 0.00 C ATOM 400 O SER A 29 21.745 21.019 15.899 1.00 0.00 O ATOM 401 CB SER A 29 21.165 20.895 12.627 1.00 0.00 C ATOM 402 OG SER A 29 21.687 22.096 12.069 1.00 0.00 O ATOM 0 H SER A 29 19.413 22.639 12.779 1.00 0.00 H new ATOM 0 HA SER A 29 19.957 20.256 14.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.980 20.201 12.833 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.508 20.410 11.905 1.00 0.00 H new ATOM 0 HG SER A 29 20.992 22.539 11.538 1.00 0.00 H new ATOM 408 N GLY A 30 21.692 23.000 14.840 1.00 0.00 N ATOM 409 CA GLY A 30 22.699 23.594 15.694 1.00 0.00 C ATOM 410 C GLY A 30 24.074 23.468 15.076 1.00 0.00 C ATOM 411 O GLY A 30 25.069 23.932 15.632 1.00 0.00 O ATOM 0 H GLY A 30 21.292 23.633 14.148 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.466 24.646 15.861 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.688 23.107 16.669 1.00 0.00 H new ATOM 415 N VAL A 31 24.116 22.834 13.910 1.00 0.00 N ATOM 416 CA VAL A 31 25.365 22.592 13.205 1.00 0.00 C ATOM 417 C VAL A 31 25.547 23.589 12.064 1.00 0.00 C ATOM 418 O VAL A 31 26.660 24.043 11.789 1.00 0.00 O ATOM 419 CB VAL A 31 25.410 21.155 12.642 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.718 20.895 11.914 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.202 20.133 13.750 1.00 0.00 C ATOM 0 H VAL A 31 23.290 22.476 13.431 1.00 0.00 H new ATOM 0 HA VAL A 31 26.176 22.719 13.922 1.00 0.00 H new ATOM 0 HB VAL A 31 24.597 21.052 11.924 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.723 19.876 11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.820 21.597 11.087 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.551 21.025 12.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.238 19.128 13.329 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.988 20.242 14.497 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.231 20.296 14.218 1.00 0.00 H new ATOM 431 N LEU A 32 24.446 23.936 11.409 1.00 0.00 N ATOM 432 CA LEU A 32 24.494 24.866 10.286 1.00 0.00 C ATOM 433 C LEU A 32 24.430 26.299 10.780 1.00 0.00 C ATOM 434 O LEU A 32 24.328 26.550 11.980 1.00 0.00 O ATOM 435 CB LEU A 32 23.338 24.626 9.311 1.00 0.00 C ATOM 436 CG LEU A 32 23.220 23.212 8.746 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.258 23.201 7.570 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.573 22.665 8.326 1.00 0.00 C ATOM 0 H LEU A 32 23.513 23.590 11.634 1.00 0.00 H new ATOM 0 HA LEU A 32 25.436 24.695 9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.405 24.872 9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.442 25.321 8.478 1.00 0.00 H new ATOM 0 HG LEU A 32 22.832 22.566 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.180 22.189 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.276 23.538 7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.628 23.868 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.451 21.657 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 25.003 23.308 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.238 22.637 9.189 1.00 0.00 H new ATOM 450 N THR A 33 24.479 27.236 9.852 1.00 0.00 N ATOM 451 CA THR A 33 24.361 28.640 10.196 1.00 0.00 C ATOM 452 C THR A 33 23.143 29.239 9.509 1.00 0.00 C ATOM 453 O THR A 33 22.576 28.627 8.602 1.00 0.00 O ATOM 454 CB THR A 33 25.635 29.435 9.818 1.00 0.00 C ATOM 455 OG1 THR A 33 25.498 30.809 10.208 1.00 0.00 O ATOM 456 CG2 THR A 33 25.916 29.353 8.325 1.00 0.00 C ATOM 0 H THR A 33 24.599 27.051 8.856 1.00 0.00 H new ATOM 0 HA THR A 33 24.241 28.711 11.277 1.00 0.00 H new ATOM 0 HB THR A 33 26.475 28.988 10.351 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.310 31.301 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 33 26.817 29.921 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 33 26.060 28.311 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 33 25.073 29.768 7.773 1.00 0.00 H new ATOM 464 N ALA A 34 22.747 30.433 9.942 1.00 0.00 N ATOM 465 CA ALA A 34 21.585 31.115 9.383 1.00 0.00 C ATOM 466 C ALA A 34 21.756 31.328 7.884 1.00 0.00 C ATOM 467 O ALA A 34 20.791 31.258 7.121 1.00 0.00 O ATOM 468 CB ALA A 34 21.363 32.444 10.089 1.00 0.00 C ATOM 0 H ALA A 34 23.218 30.951 10.684 1.00 0.00 H new ATOM 0 HA ALA A 34 20.708 30.487 9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.493 32.942 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.195 32.268 11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.242 33.076 9.960 1.00 0.00 H new ATOM 474 N ASP A 35 22.999 31.549 7.471 1.00 0.00 N ATOM 475 CA ASP A 35 23.317 31.762 6.063 1.00 0.00 C ATOM 476 C ASP A 35 22.947 30.534 5.243 1.00 0.00 C ATOM 477 O ASP A 35 22.348 30.641 4.175 1.00 0.00 O ATOM 478 CB ASP A 35 24.804 32.078 5.896 1.00 0.00 C ATOM 479 CG ASP A 35 25.187 32.348 4.457 1.00 0.00 C ATOM 480 OD1 ASP A 35 24.816 33.419 3.934 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.878 31.506 3.847 1.00 0.00 O ATOM 0 H ASP A 35 23.806 31.585 8.094 1.00 0.00 H new ATOM 0 HA ASP A 35 22.736 32.610 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.057 32.947 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 25.393 31.242 6.274 1.00 0.00 H new ATOM 486 N GLN A 36 23.274 29.366 5.777 1.00 0.00 N ATOM 487 CA GLN A 36 22.992 28.106 5.110 1.00 0.00 C ATOM 488 C GLN A 36 21.496 27.809 5.100 1.00 0.00 C ATOM 489 O GLN A 36 20.988 27.160 4.188 1.00 0.00 O ATOM 490 CB GLN A 36 23.752 26.973 5.793 1.00 0.00 C ATOM 491 CG GLN A 36 25.235 26.962 5.463 1.00 0.00 C ATOM 492 CD GLN A 36 26.014 25.999 6.331 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.681 25.789 7.495 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.042 25.394 5.763 1.00 0.00 N ATOM 0 H GLN A 36 23.739 29.266 6.679 1.00 0.00 H new ATOM 0 HA GLN A 36 23.324 28.187 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.627 27.060 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.314 26.020 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.369 26.692 4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.639 27.967 5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.282 25.599 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.595 24.722 6.294 1.00 0.00 H new ATOM 503 N MET A 37 20.794 28.305 6.109 1.00 0.00 N ATOM 504 CA MET A 37 19.361 28.062 6.237 1.00 0.00 C ATOM 505 C MET A 37 18.584 28.772 5.134 1.00 0.00 C ATOM 506 O MET A 37 17.605 28.237 4.617 1.00 0.00 O ATOM 507 CB MET A 37 18.853 28.520 7.606 1.00 0.00 C ATOM 508 CG MET A 37 19.514 27.826 8.769 1.00 0.00 C ATOM 509 SD MET A 37 18.840 28.373 10.343 1.00 0.00 S ATOM 510 CE MET A 37 20.109 27.765 11.435 1.00 0.00 C ATOM 0 H MET A 37 21.192 28.879 6.852 1.00 0.00 H new ATOM 0 HA MET A 37 19.199 26.988 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.011 29.594 7.700 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.778 28.350 7.658 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.382 26.748 8.672 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.586 28.019 8.746 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.837 27.985 12.467 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.212 26.687 11.309 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.056 28.250 11.198 1.00 0.00 H new ATOM 520 N ASP A 38 19.029 29.971 4.763 1.00 0.00 N ATOM 521 CA ASP A 38 18.347 30.739 3.724 1.00 0.00 C ATOM 522 C ASP A 38 18.535 30.079 2.363 1.00 0.00 C ATOM 523 O ASP A 38 17.605 30.026 1.553 1.00 0.00 O ATOM 524 CB ASP A 38 18.846 32.185 3.682 1.00 0.00 C ATOM 525 CG ASP A 38 18.018 33.047 2.745 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.907 33.470 3.140 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.464 33.303 1.613 1.00 0.00 O ATOM 0 H ASP A 38 19.850 30.428 5.161 1.00 0.00 H new ATOM 0 HA ASP A 38 17.284 30.755 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.815 32.608 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.888 32.200 3.362 1.00 0.00 H new ATOM 532 N ASP A 39 19.733 29.555 2.122 1.00 0.00 N ATOM 533 CA ASP A 39 20.008 28.807 0.896 1.00 0.00 C ATOM 534 C ASP A 39 19.152 27.548 0.845 1.00 0.00 C ATOM 535 O ASP A 39 18.695 27.138 -0.221 1.00 0.00 O ATOM 536 CB ASP A 39 21.487 28.435 0.789 1.00 0.00 C ATOM 537 CG ASP A 39 22.365 29.610 0.418 1.00 0.00 C ATOM 538 OD1 ASP A 39 22.434 29.954 -0.783 1.00 0.00 O ATOM 539 OD2 ASP A 39 23.003 30.186 1.320 1.00 0.00 O ATOM 0 H ASP A 39 20.528 29.633 2.756 1.00 0.00 H new ATOM 0 HA ASP A 39 19.758 29.449 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.823 28.024 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.606 27.649 0.043 1.00 0.00 H new ATOM 544 N MET A 40 18.931 26.944 2.005 1.00 0.00 N ATOM 545 CA MET A 40 18.044 25.792 2.114 1.00 0.00 C ATOM 546 C MET A 40 16.611 26.192 1.773 1.00 0.00 C ATOM 547 O MET A 40 15.872 25.431 1.149 1.00 0.00 O ATOM 548 CB MET A 40 18.099 25.206 3.528 1.00 0.00 C ATOM 549 CG MET A 40 19.422 24.542 3.871 1.00 0.00 C ATOM 550 SD MET A 40 19.650 22.964 3.029 1.00 0.00 S ATOM 551 CE MET A 40 18.412 21.966 3.853 1.00 0.00 C ATOM 0 H MET A 40 19.355 27.233 2.887 1.00 0.00 H new ATOM 0 HA MET A 40 18.378 25.033 1.406 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.906 26.002 4.248 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.298 24.475 3.639 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.239 25.212 3.605 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.476 24.385 4.948 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.657 20.911 3.734 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.390 22.216 4.914 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.434 22.163 3.413 1.00 0.00 H new ATOM 561 N GLY A 41 16.232 27.397 2.181 1.00 0.00 N ATOM 562 CA GLY A 41 14.898 27.898 1.906 1.00 0.00 C ATOM 563 C GLY A 41 14.632 28.063 0.422 1.00 0.00 C ATOM 564 O GLY A 41 13.601 27.618 -0.083 1.00 0.00 O ATOM 0 H GLY A 41 16.829 28.040 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.162 27.214 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.764 28.858 2.404 1.00 0.00 H new ATOM 568 N MET A 42 15.566 28.691 -0.284 1.00 0.00 N ATOM 569 CA MET A 42 15.412 28.906 -1.720 1.00 0.00 C ATOM 570 C MET A 42 15.546 27.585 -2.471 1.00 0.00 C ATOM 571 O MET A 42 15.020 27.427 -3.572 1.00 0.00 O ATOM 572 CB MET A 42 16.434 29.926 -2.234 1.00 0.00 C ATOM 573 CG MET A 42 17.872 29.441 -2.176 1.00 0.00 C ATOM 574 SD MET A 42 19.062 30.697 -2.690 1.00 0.00 S ATOM 575 CE MET A 42 18.839 31.932 -1.408 1.00 0.00 C ATOM 0 H MET A 42 16.432 29.058 0.110 1.00 0.00 H new ATOM 0 HA MET A 42 14.415 29.309 -1.901 1.00 0.00 H new ATOM 0 HB2 MET A 42 16.189 30.183 -3.265 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.346 30.841 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 42 18.102 29.125 -1.158 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.980 28.564 -2.814 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.743 32.535 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.997 32.575 -1.664 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.642 31.438 -0.457 1.00 0.00 H new ATOM 585 N MET A 43 16.242 26.635 -1.856 1.00 0.00 N ATOM 586 CA MET A 43 16.375 25.293 -2.407 1.00 0.00 C ATOM 587 C MET A 43 15.008 24.619 -2.479 1.00 0.00 C ATOM 588 O MET A 43 14.680 23.957 -3.464 1.00 0.00 O ATOM 589 CB MET A 43 17.348 24.473 -1.547 1.00 0.00 C ATOM 590 CG MET A 43 17.502 23.015 -1.966 1.00 0.00 C ATOM 591 SD MET A 43 16.195 21.937 -1.335 1.00 0.00 S ATOM 592 CE MET A 43 16.435 22.099 0.432 1.00 0.00 C ATOM 0 H MET A 43 16.726 26.772 -0.969 1.00 0.00 H new ATOM 0 HA MET A 43 16.776 25.355 -3.418 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.328 24.950 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.010 24.505 -0.511 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.514 22.958 -3.054 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.466 22.645 -1.617 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.197 21.154 0.920 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.473 22.361 0.636 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.781 22.881 0.818 1.00 0.00 H new ATOM 602 N ALA A 44 14.207 24.815 -1.436 1.00 0.00 N ATOM 603 CA ALA A 44 12.869 24.244 -1.376 1.00 0.00 C ATOM 604 C ALA A 44 12.011 24.737 -2.537 1.00 0.00 C ATOM 605 O ALA A 44 11.280 23.957 -3.149 1.00 0.00 O ATOM 606 CB ALA A 44 12.209 24.572 -0.046 1.00 0.00 C ATOM 0 H ALA A 44 14.464 25.368 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 44 12.959 23.161 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.210 24.137 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.806 24.160 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.137 25.654 0.068 1.00 0.00 H new ATOM 612 N ASP A 45 12.122 26.029 -2.845 1.00 0.00 N ATOM 613 CA ASP A 45 11.366 26.636 -3.945 1.00 0.00 C ATOM 614 C ASP A 45 11.726 25.979 -5.272 1.00 0.00 C ATOM 615 O ASP A 45 10.861 25.731 -6.108 1.00 0.00 O ATOM 616 CB ASP A 45 11.633 28.145 -4.017 1.00 0.00 C ATOM 617 CG ASP A 45 10.898 28.826 -5.164 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.730 29.235 -4.975 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.488 28.974 -6.255 1.00 0.00 O ATOM 0 H ASP A 45 12.730 26.679 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 45 10.305 26.477 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.333 28.607 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.704 28.314 -4.128 1.00 0.00 H new ATOM 624 N SER A 46 13.007 25.687 -5.447 1.00 0.00 N ATOM 625 CA SER A 46 13.491 25.009 -6.636 1.00 0.00 C ATOM 626 C SER A 46 12.817 23.642 -6.771 1.00 0.00 C ATOM 627 O SER A 46 12.413 23.238 -7.863 1.00 0.00 O ATOM 628 CB SER A 46 15.017 24.861 -6.545 1.00 0.00 C ATOM 629 OG SER A 46 15.584 24.353 -7.743 1.00 0.00 O ATOM 0 H SER A 46 13.736 25.913 -4.770 1.00 0.00 H new ATOM 0 HA SER A 46 13.245 25.595 -7.522 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.460 25.831 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.266 24.196 -5.718 1.00 0.00 H new ATOM 0 HG SER A 46 16.333 24.923 -8.018 1.00 0.00 H new ATOM 635 N VAL A 47 12.659 22.955 -5.646 1.00 0.00 N ATOM 636 CA VAL A 47 12.084 21.616 -5.633 1.00 0.00 C ATOM 637 C VAL A 47 10.570 21.646 -5.853 1.00 0.00 C ATOM 638 O VAL A 47 10.062 21.025 -6.791 1.00 0.00 O ATOM 639 CB VAL A 47 12.392 20.885 -4.307 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.819 19.476 -4.318 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.891 20.843 -4.049 1.00 0.00 C ATOM 0 H VAL A 47 12.923 23.306 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 47 12.546 21.072 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 47 11.917 21.443 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.049 18.982 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.738 19.524 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.259 18.911 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.084 20.324 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.386 20.315 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.278 21.860 -3.987 1.00 0.00 H new ATOM 651 N ASN A 48 9.847 22.375 -5.007 1.00 0.00 N ATOM 652 CA ASN A 48 8.388 22.349 -5.047 1.00 0.00 C ATOM 653 C ASN A 48 7.837 22.941 -6.339 1.00 0.00 C ATOM 654 O ASN A 48 6.783 22.522 -6.812 1.00 0.00 O ATOM 655 CB ASN A 48 7.777 23.037 -3.814 1.00 0.00 C ATOM 656 CG ASN A 48 8.301 24.434 -3.537 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.547 25.223 -4.445 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.490 24.743 -2.261 1.00 0.00 N ATOM 0 H ASN A 48 10.243 22.985 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 48 8.092 21.300 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.696 23.089 -3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.964 22.415 -2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.851 25.662 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.274 24.061 -1.534 1.00 0.00 H new ATOM 665 N SER A 49 8.552 23.890 -6.921 1.00 0.00 N ATOM 666 CA SER A 49 8.129 24.485 -8.176 1.00 0.00 C ATOM 667 C SER A 49 8.163 23.448 -9.296 1.00 0.00 C ATOM 668 O SER A 49 7.170 23.239 -9.998 1.00 0.00 O ATOM 669 CB SER A 49 9.031 25.667 -8.523 1.00 0.00 C ATOM 670 OG SER A 49 8.533 26.397 -9.631 1.00 0.00 O ATOM 0 H SER A 49 9.424 24.263 -6.546 1.00 0.00 H new ATOM 0 HA SER A 49 7.105 24.842 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.114 26.327 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.035 25.306 -8.746 1.00 0.00 H new ATOM 0 HG SER A 49 9.133 27.147 -9.825 1.00 0.00 H new ATOM 676 N GLN A 50 9.305 22.791 -9.456 1.00 0.00 N ATOM 677 CA GLN A 50 9.469 21.788 -10.502 1.00 0.00 C ATOM 678 C GLN A 50 8.535 20.605 -10.272 1.00 0.00 C ATOM 679 O GLN A 50 7.993 20.040 -11.219 1.00 0.00 O ATOM 680 CB GLN A 50 10.918 21.305 -10.553 1.00 0.00 C ATOM 681 CG GLN A 50 11.904 22.369 -11.002 1.00 0.00 C ATOM 682 CD GLN A 50 13.343 21.899 -10.917 1.00 0.00 C ATOM 683 OE1 GLN A 50 13.880 21.321 -11.863 1.00 0.00 O ATOM 684 NE2 GLN A 50 13.981 22.149 -9.787 1.00 0.00 N ATOM 0 H GLN A 50 10.131 22.934 -8.875 1.00 0.00 H new ATOM 0 HA GLN A 50 9.214 22.250 -11.456 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.207 20.949 -9.564 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.984 20.453 -11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.679 22.658 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.779 23.259 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.501 22.630 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.953 21.861 -9.676 1.00 0.00 H new ATOM 693 N MET A 51 8.337 20.254 -9.008 1.00 0.00 N ATOM 694 CA MET A 51 7.496 19.119 -8.642 1.00 0.00 C ATOM 695 C MET A 51 6.039 19.358 -9.040 1.00 0.00 C ATOM 696 O MET A 51 5.367 18.456 -9.535 1.00 0.00 O ATOM 697 CB MET A 51 7.584 18.864 -7.141 1.00 0.00 C ATOM 698 CG MET A 51 6.816 17.635 -6.687 1.00 0.00 C ATOM 699 SD MET A 51 6.710 17.512 -4.896 1.00 0.00 S ATOM 700 CE MET A 51 5.809 19.007 -4.508 1.00 0.00 C ATOM 0 H MET A 51 8.750 20.742 -8.213 1.00 0.00 H new ATOM 0 HA MET A 51 7.860 18.244 -9.182 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.631 18.752 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.204 19.737 -6.610 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.810 17.664 -7.106 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.300 16.742 -7.081 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.329 18.900 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.498 19.851 -4.481 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.050 19.183 -5.270 1.00 0.00 H new ATOM 710 N GLN A 52 5.560 20.580 -8.829 1.00 0.00 N ATOM 711 CA GLN A 52 4.178 20.925 -9.159 1.00 0.00 C ATOM 712 C GLN A 52 3.956 20.903 -10.669 1.00 0.00 C ATOM 713 O GLN A 52 2.825 20.779 -11.139 1.00 0.00 O ATOM 714 CB GLN A 52 3.814 22.299 -8.590 1.00 0.00 C ATOM 715 CG GLN A 52 3.755 22.328 -7.070 1.00 0.00 C ATOM 716 CD GLN A 52 3.505 23.718 -6.522 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.358 24.125 -6.325 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.576 24.454 -6.271 1.00 0.00 N ATOM 0 H GLN A 52 6.104 21.346 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 52 3.528 20.177 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.546 23.031 -8.932 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.847 22.605 -8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.965 21.659 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.693 21.946 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.507 24.077 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.470 25.398 -5.900 1.00 0.00 H new ATOM 727 N LYS A 53 5.044 21.006 -11.421 1.00 0.00 N ATOM 728 CA LYS A 53 4.979 20.979 -12.874 1.00 0.00 C ATOM 729 C LYS A 53 5.328 19.596 -13.418 1.00 0.00 C ATOM 730 O LYS A 53 5.398 19.396 -14.631 1.00 0.00 O ATOM 731 CB LYS A 53 5.926 22.023 -13.463 1.00 0.00 C ATOM 732 CG LYS A 53 5.492 23.455 -13.199 1.00 0.00 C ATOM 733 CD LYS A 53 6.378 24.455 -13.923 1.00 0.00 C ATOM 734 CE LYS A 53 7.751 24.568 -13.285 1.00 0.00 C ATOM 735 NZ LYS A 53 7.678 25.155 -11.924 1.00 0.00 N ATOM 0 H LYS A 53 5.986 21.110 -11.045 1.00 0.00 H new ATOM 0 HA LYS A 53 3.956 21.213 -13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.923 21.872 -13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.001 21.867 -14.539 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.458 23.587 -13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.521 23.652 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.487 24.155 -14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.896 25.433 -13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.209 23.581 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.394 25.184 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.640 25.342 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.143 26.046 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.200 24.489 -11.284 1.00 0.00 H new ATOM 749 N MET A 54 5.549 18.645 -12.518 1.00 0.00 N ATOM 750 CA MET A 54 5.909 17.287 -12.912 1.00 0.00 C ATOM 751 C MET A 54 4.682 16.515 -13.393 1.00 0.00 C ATOM 752 O MET A 54 4.735 15.825 -14.411 1.00 0.00 O ATOM 753 CB MET A 54 6.594 16.561 -11.746 1.00 0.00 C ATOM 754 CG MET A 54 6.876 15.089 -12.011 1.00 0.00 C ATOM 755 SD MET A 54 8.367 14.497 -11.177 1.00 0.00 S ATOM 756 CE MET A 54 8.056 14.968 -9.476 1.00 0.00 C ATOM 0 H MET A 54 5.485 18.789 -11.510 1.00 0.00 H new ATOM 0 HA MET A 54 6.611 17.343 -13.744 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.534 17.065 -11.520 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.965 16.646 -10.860 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.022 14.496 -11.683 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.980 14.932 -13.085 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.881 14.631 -8.848 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.969 16.052 -9.409 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.129 14.508 -9.135 1.00 0.00 H new ATOM 766 N GLY A 55 3.582 16.647 -12.663 1.00 0.00 N ATOM 767 CA GLY A 55 2.353 15.980 -13.051 1.00 0.00 C ATOM 768 C GLY A 55 2.170 14.642 -12.354 1.00 0.00 C ATOM 769 O GLY A 55 3.074 13.811 -12.364 1.00 0.00 O ATOM 0 H GLY A 55 3.518 17.203 -11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.505 16.625 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.352 15.827 -14.130 1.00 0.00 H new ATOM 773 N PRO A 56 1.011 14.416 -11.707 1.00 0.00 N ATOM 774 CA PRO A 56 0.693 13.130 -11.076 1.00 0.00 C ATOM 775 C PRO A 56 0.663 11.984 -12.081 1.00 0.00 C ATOM 776 O PRO A 56 0.211 12.155 -13.215 1.00 0.00 O ATOM 777 CB PRO A 56 -0.703 13.348 -10.482 1.00 0.00 C ATOM 778 CG PRO A 56 -0.845 14.826 -10.368 1.00 0.00 C ATOM 779 CD PRO A 56 -0.065 15.400 -11.516 1.00 0.00 C ATOM 0 HA PRO A 56 1.444 12.849 -10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.476 12.925 -11.124 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.798 12.866 -9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.892 15.124 -10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.458 15.184 -9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.680 15.505 -12.410 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.329 16.389 -11.282 1.00 0.00 H new ATOM 787 N ASN A 57 1.140 10.821 -11.643 1.00 0.00 N ATOM 788 CA ASN A 57 1.192 9.619 -12.482 1.00 0.00 C ATOM 789 C ASN A 57 2.037 9.856 -13.740 1.00 0.00 C ATOM 790 O ASN A 57 1.570 9.619 -14.859 1.00 0.00 O ATOM 791 CB ASN A 57 -0.223 9.180 -12.890 1.00 0.00 C ATOM 792 CG ASN A 57 -1.114 8.844 -11.709 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.133 7.710 -11.229 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.884 9.822 -11.249 1.00 0.00 N ATOM 0 H ASN A 57 1.501 10.682 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 57 1.657 8.829 -11.892 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.688 9.975 -13.472 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.151 8.309 -13.541 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.520 9.647 -10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.840 10.749 -11.673 1.00 0.00 H new ATOM 801 N PRO A 58 3.296 10.302 -13.583 1.00 0.00 N ATOM 802 CA PRO A 58 4.146 10.685 -14.700 1.00 0.00 C ATOM 803 C PRO A 58 5.076 9.560 -15.154 1.00 0.00 C ATOM 804 O PRO A 58 5.125 8.494 -14.536 1.00 0.00 O ATOM 805 CB PRO A 58 4.951 11.821 -14.079 1.00 0.00 C ATOM 806 CG PRO A 58 5.167 11.388 -12.664 1.00 0.00 C ATOM 807 CD PRO A 58 4.017 10.469 -12.306 1.00 0.00 C ATOM 0 HA PRO A 58 3.582 10.944 -15.596 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.898 11.969 -14.599 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.410 12.766 -14.128 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.121 10.872 -12.559 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.196 12.249 -11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.372 9.514 -11.918 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.378 10.906 -11.539 1.00 0.00 H new ATOM 815 N PRO A 59 5.820 9.775 -16.255 1.00 0.00 N ATOM 816 CA PRO A 59 6.873 8.855 -16.682 1.00 0.00 C ATOM 817 C PRO A 59 8.085 8.961 -15.760 1.00 0.00 C ATOM 818 O PRO A 59 8.307 10.008 -15.145 1.00 0.00 O ATOM 819 CB PRO A 59 7.238 9.324 -18.098 1.00 0.00 C ATOM 820 CG PRO A 59 6.246 10.383 -18.460 1.00 0.00 C ATOM 821 CD PRO A 59 5.686 10.914 -17.172 1.00 0.00 C ATOM 0 HA PRO A 59 6.550 7.814 -16.655 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.254 9.717 -18.127 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.197 8.495 -18.805 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.723 11.180 -19.031 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.453 9.972 -19.086 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.241 11.783 -16.819 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.646 11.223 -17.282 1.00 0.00 H new ATOM 829 N GLN A 60 8.887 7.905 -15.686 1.00 0.00 N ATOM 830 CA GLN A 60 9.981 7.850 -14.720 1.00 0.00 C ATOM 831 C GLN A 60 11.091 8.841 -15.073 1.00 0.00 C ATOM 832 O GLN A 60 11.945 9.144 -14.241 1.00 0.00 O ATOM 833 CB GLN A 60 10.540 6.421 -14.587 1.00 0.00 C ATOM 834 CG GLN A 60 11.543 6.000 -15.659 1.00 0.00 C ATOM 835 CD GLN A 60 10.969 5.976 -17.061 1.00 0.00 C ATOM 836 OE1 GLN A 60 9.771 5.772 -17.259 1.00 0.00 O ATOM 837 NE2 GLN A 60 11.832 6.161 -18.047 1.00 0.00 N ATOM 0 H GLN A 60 8.802 7.079 -16.279 1.00 0.00 H new ATOM 0 HA GLN A 60 9.573 8.141 -13.752 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.017 6.327 -13.612 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.705 5.721 -14.602 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.392 6.683 -15.636 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.925 5.008 -15.416 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.817 6.327 -17.839 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.513 6.138 -19.015 1.00 0.00 H new ATOM 846 N HIS A 61 11.067 9.369 -16.299 1.00 0.00 N ATOM 847 CA HIS A 61 12.056 10.366 -16.698 1.00 0.00 C ATOM 848 C HIS A 61 11.827 11.674 -15.941 1.00 0.00 C ATOM 849 O HIS A 61 12.730 12.495 -15.817 1.00 0.00 O ATOM 850 CB HIS A 61 12.066 10.602 -18.226 1.00 0.00 C ATOM 851 CG HIS A 61 10.913 11.399 -18.788 1.00 0.00 C ATOM 852 ND1 HIS A 61 10.051 10.904 -19.741 1.00 0.00 N ATOM 853 CD2 HIS A 61 10.519 12.680 -18.569 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.189 11.842 -20.088 1.00 0.00 C ATOM 855 NE2 HIS A 61 9.448 12.931 -19.390 1.00 0.00 N ATOM 0 H HIS A 61 10.386 9.127 -17.019 1.00 0.00 H new ATOM 0 HA HIS A 61 13.039 9.976 -16.435 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.993 11.112 -18.487 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.085 9.632 -18.722 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.967 13.375 -17.875 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.403 11.735 -20.821 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.938 13.812 -19.450 1.00 0.00 H new ATOM 863 N ARG A 62 10.606 11.859 -15.443 1.00 0.00 N ATOM 864 CA ARG A 62 10.278 13.025 -14.634 1.00 0.00 C ATOM 865 C ARG A 62 10.875 12.879 -13.242 1.00 0.00 C ATOM 866 O ARG A 62 11.575 13.764 -12.755 1.00 0.00 O ATOM 867 CB ARG A 62 8.761 13.195 -14.524 1.00 0.00 C ATOM 868 CG ARG A 62 8.091 13.688 -15.796 1.00 0.00 C ATOM 869 CD ARG A 62 8.494 15.117 -16.119 1.00 0.00 C ATOM 870 NE ARG A 62 7.673 15.687 -17.183 1.00 0.00 N ATOM 871 CZ ARG A 62 7.869 16.895 -17.706 1.00 0.00 C ATOM 872 NH1 ARG A 62 8.887 17.643 -17.296 1.00 0.00 N ATOM 873 NH2 ARG A 62 7.046 17.350 -18.643 1.00 0.00 N ATOM 0 H ARG A 62 9.829 11.214 -15.587 1.00 0.00 H new ATOM 0 HA ARG A 62 10.698 13.907 -15.118 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.320 12.239 -14.243 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.544 13.896 -13.718 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.361 13.036 -16.627 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.008 13.630 -15.684 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.404 15.731 -15.223 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.542 15.140 -16.417 1.00 0.00 H new ATOM 0 HE ARG A 62 6.903 15.126 -17.547 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.521 17.292 -16.578 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.035 18.568 -17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.266 16.774 -18.960 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.194 18.275 -19.046 1.00 0.00 H new ATOM 887 N LEU A 63 10.610 11.730 -12.631 1.00 0.00 N ATOM 888 CA LEU A 63 11.035 11.458 -11.263 1.00 0.00 C ATOM 889 C LEU A 63 12.556 11.444 -11.163 1.00 0.00 C ATOM 890 O LEU A 63 13.134 12.049 -10.262 1.00 0.00 O ATOM 891 CB LEU A 63 10.487 10.105 -10.802 1.00 0.00 C ATOM 892 CG LEU A 63 9.027 9.819 -11.176 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.622 8.437 -10.696 1.00 0.00 C ATOM 894 CD2 LEU A 63 8.094 10.871 -10.599 1.00 0.00 C ATOM 0 H LEU A 63 10.097 10.964 -13.067 1.00 0.00 H new ATOM 0 HA LEU A 63 10.645 12.249 -10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.112 9.318 -11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.584 10.044 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 63 8.945 9.856 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.584 8.247 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.262 7.688 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.729 8.382 -9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.067 10.641 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.179 10.876 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.366 11.852 -10.989 1.00 0.00 H new ATOM 906 N ARG A 64 13.191 10.765 -12.118 1.00 0.00 N ATOM 907 CA ARG A 64 14.641 10.570 -12.119 1.00 0.00 C ATOM 908 C ARG A 64 15.398 11.899 -12.166 1.00 0.00 C ATOM 909 O ARG A 64 16.548 11.985 -11.740 1.00 0.00 O ATOM 910 CB ARG A 64 15.037 9.697 -13.312 1.00 0.00 C ATOM 911 CG ARG A 64 16.519 9.372 -13.385 1.00 0.00 C ATOM 912 CD ARG A 64 16.810 8.432 -14.539 1.00 0.00 C ATOM 913 NE ARG A 64 18.240 8.159 -14.692 1.00 0.00 N ATOM 914 CZ ARG A 64 18.728 7.063 -15.271 1.00 0.00 C ATOM 915 NH1 ARG A 64 17.906 6.128 -15.735 1.00 0.00 N ATOM 916 NH2 ARG A 64 20.037 6.906 -15.396 1.00 0.00 N ATOM 0 H ARG A 64 12.716 10.335 -12.912 1.00 0.00 H new ATOM 0 HA ARG A 64 14.914 10.074 -11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.474 8.764 -13.267 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.742 10.203 -14.231 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.092 10.292 -13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.842 8.916 -12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.279 7.493 -14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.425 8.865 -15.462 1.00 0.00 H new ATOM 0 HE ARG A 64 18.901 8.848 -14.334 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.897 6.248 -15.649 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.284 5.290 -16.178 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.672 7.625 -15.049 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.410 6.067 -15.839 1.00 0.00 H new ATOM 930 N ALA A 65 14.751 12.935 -12.672 1.00 0.00 N ATOM 931 CA ALA A 65 15.394 14.231 -12.797 1.00 0.00 C ATOM 932 C ALA A 65 15.183 15.082 -11.547 1.00 0.00 C ATOM 933 O ALA A 65 15.690 16.201 -11.457 1.00 0.00 O ATOM 934 CB ALA A 65 14.882 14.957 -14.035 1.00 0.00 C ATOM 0 H ALA A 65 13.786 12.904 -13.001 1.00 0.00 H new ATOM 0 HA ALA A 65 16.466 14.066 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.372 15.927 -14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.102 14.363 -14.922 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.805 15.101 -13.953 1.00 0.00 H new ATOM 940 N MET A 66 14.457 14.545 -10.571 1.00 0.00 N ATOM 941 CA MET A 66 14.140 15.301 -9.366 1.00 0.00 C ATOM 942 C MET A 66 15.009 14.869 -8.189 1.00 0.00 C ATOM 943 O MET A 66 15.375 15.693 -7.348 1.00 0.00 O ATOM 944 CB MET A 66 12.660 15.155 -9.022 1.00 0.00 C ATOM 945 CG MET A 66 11.739 15.810 -10.039 1.00 0.00 C ATOM 946 SD MET A 66 12.009 17.590 -10.184 1.00 0.00 S ATOM 947 CE MET A 66 11.561 18.141 -8.538 1.00 0.00 C ATOM 0 H MET A 66 14.080 13.597 -10.591 1.00 0.00 H new ATOM 0 HA MET A 66 14.353 16.351 -9.565 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.414 14.096 -8.949 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.477 15.594 -8.041 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.890 15.344 -11.013 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.703 15.626 -9.755 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.857 18.970 -8.611 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.098 17.319 -7.993 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.455 18.469 -8.008 1.00 0.00 H new ATOM 957 N ASN A 67 15.348 13.585 -8.130 1.00 0.00 N ATOM 958 CA ASN A 67 16.252 13.081 -7.093 1.00 0.00 C ATOM 959 C ASN A 67 17.630 13.724 -7.223 1.00 0.00 C ATOM 960 O ASN A 67 18.213 14.172 -6.234 1.00 0.00 O ATOM 961 CB ASN A 67 16.358 11.547 -7.149 1.00 0.00 C ATOM 962 CG ASN A 67 16.282 11.005 -8.562 1.00 0.00 C ATOM 963 OD1 ASN A 67 15.204 10.691 -9.052 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.415 10.883 -9.220 1.00 0.00 N ATOM 0 H ASN A 67 15.014 12.875 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 67 15.837 13.352 -6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.299 11.235 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.557 11.110 -6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.415 10.516 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.293 11.155 -8.778 1.00 0.00 H new ATOM 971 N THR A 68 18.130 13.802 -8.453 1.00 0.00 N ATOM 972 CA THR A 68 19.402 14.458 -8.723 1.00 0.00 C ATOM 973 C THR A 68 19.287 15.970 -8.513 1.00 0.00 C ATOM 974 O THR A 68 20.251 16.633 -8.126 1.00 0.00 O ATOM 975 CB THR A 68 19.874 14.159 -10.163 1.00 0.00 C ATOM 976 OG1 THR A 68 19.913 12.737 -10.371 1.00 0.00 O ATOM 977 CG2 THR A 68 21.253 14.753 -10.430 1.00 0.00 C ATOM 0 H THR A 68 17.671 13.418 -9.279 1.00 0.00 H new ATOM 0 HA THR A 68 20.139 14.064 -8.024 1.00 0.00 H new ATOM 0 HB THR A 68 19.167 14.618 -10.855 1.00 0.00 H new ATOM 0 HG1 THR A 68 19.803 12.278 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.556 14.525 -11.452 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.216 15.834 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 68 21.974 14.325 -9.734 1.00 0.00 H new ATOM 985 N ALA A 69 18.086 16.502 -8.731 1.00 0.00 N ATOM 986 CA ALA A 69 17.840 17.932 -8.592 1.00 0.00 C ATOM 987 C ALA A 69 18.111 18.402 -7.168 1.00 0.00 C ATOM 988 O ALA A 69 18.848 19.363 -6.960 1.00 0.00 O ATOM 989 CB ALA A 69 16.413 18.272 -8.994 1.00 0.00 C ATOM 0 H ALA A 69 17.267 15.960 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 69 18.527 18.453 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.249 19.344 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.250 17.985 -10.033 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.716 17.731 -8.354 1.00 0.00 H new ATOM 995 N MET A 70 17.528 17.709 -6.190 1.00 0.00 N ATOM 996 CA MET A 70 17.698 18.079 -4.786 1.00 0.00 C ATOM 997 C MET A 70 19.172 18.072 -4.421 1.00 0.00 C ATOM 998 O MET A 70 19.682 19.019 -3.823 1.00 0.00 O ATOM 999 CB MET A 70 16.955 17.110 -3.863 1.00 0.00 C ATOM 1000 CG MET A 70 17.079 17.476 -2.388 1.00 0.00 C ATOM 1001 SD MET A 70 16.711 16.105 -1.277 1.00 0.00 S ATOM 1002 CE MET A 70 15.012 15.743 -1.707 1.00 0.00 C ATOM 0 H MET A 70 16.937 16.892 -6.343 1.00 0.00 H new ATOM 0 HA MET A 70 17.284 19.079 -4.655 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.901 17.091 -4.139 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.343 16.103 -4.015 1.00 0.00 H new ATOM 0 HG2 MET A 70 18.091 17.830 -2.193 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.404 18.303 -2.168 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.618 14.988 -1.027 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.415 16.651 -1.627 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.967 15.369 -2.730 1.00 0.00 H new ATOM 1012 N ALA A 71 19.840 16.996 -4.817 1.00 0.00 N ATOM 1013 CA ALA A 71 21.253 16.798 -4.534 1.00 0.00 C ATOM 1014 C ALA A 71 22.096 17.964 -5.043 1.00 0.00 C ATOM 1015 O ALA A 71 23.019 18.413 -4.366 1.00 0.00 O ATOM 1016 CB ALA A 71 21.719 15.492 -5.156 1.00 0.00 C ATOM 0 H ALA A 71 19.414 16.234 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 71 21.383 16.751 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.778 15.345 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.146 14.665 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.567 15.528 -6.235 1.00 0.00 H new ATOM 1022 N ALA A 72 21.764 18.458 -6.228 1.00 0.00 N ATOM 1023 CA ALA A 72 22.496 19.565 -6.825 1.00 0.00 C ATOM 1024 C ALA A 72 22.232 20.867 -6.077 1.00 0.00 C ATOM 1025 O ALA A 72 23.160 21.616 -5.775 1.00 0.00 O ATOM 1026 CB ALA A 72 22.130 19.711 -8.294 1.00 0.00 C ATOM 0 H ALA A 72 20.991 18.109 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 72 23.561 19.345 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.686 20.543 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.381 18.792 -8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.061 19.902 -8.385 1.00 0.00 H new ATOM 1032 N GLU A 73 20.966 21.119 -5.761 1.00 0.00 N ATOM 1033 CA GLU A 73 20.573 22.358 -5.098 1.00 0.00 C ATOM 1034 C GLU A 73 21.200 22.464 -3.705 1.00 0.00 C ATOM 1035 O GLU A 73 21.714 23.514 -3.324 1.00 0.00 O ATOM 1036 CB GLU A 73 19.049 22.451 -4.983 1.00 0.00 C ATOM 1037 CG GLU A 73 18.306 22.306 -6.301 1.00 0.00 C ATOM 1038 CD GLU A 73 18.664 23.373 -7.317 1.00 0.00 C ATOM 1039 OE1 GLU A 73 18.359 24.558 -7.078 1.00 0.00 O ATOM 1040 OE2 GLU A 73 19.226 23.026 -8.377 1.00 0.00 O ATOM 0 H GLU A 73 20.194 20.481 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 73 20.937 23.185 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.701 21.678 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.789 23.411 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.522 21.325 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.233 22.342 -6.110 1.00 0.00 H new ATOM 1047 N VAL A 74 21.164 21.369 -2.949 1.00 0.00 N ATOM 1048 CA VAL A 74 21.676 21.379 -1.579 1.00 0.00 C ATOM 1049 C VAL A 74 23.199 21.330 -1.545 1.00 0.00 C ATOM 1050 O VAL A 74 23.814 21.735 -0.558 1.00 0.00 O ATOM 1051 CB VAL A 74 21.119 20.215 -0.733 1.00 0.00 C ATOM 1052 CG1 VAL A 74 19.614 20.332 -0.581 1.00 0.00 C ATOM 1053 CG2 VAL A 74 21.495 18.871 -1.332 1.00 0.00 C ATOM 0 H VAL A 74 20.790 20.471 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 74 21.335 22.319 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 74 21.570 20.278 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 74 19.243 19.501 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.370 21.273 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.146 20.306 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 74 21.088 18.071 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 74 21.086 18.795 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 74 22.581 18.782 -1.373 1.00 0.00 H new ATOM 1063 N ALA A 75 23.803 20.837 -2.620 1.00 0.00 N ATOM 1064 CA ALA A 75 25.257 20.756 -2.714 1.00 0.00 C ATOM 1065 C ALA A 75 25.888 22.135 -2.565 1.00 0.00 C ATOM 1066 O ALA A 75 26.968 22.274 -1.989 1.00 0.00 O ATOM 1067 CB ALA A 75 25.680 20.126 -4.031 1.00 0.00 C ATOM 0 H ALA A 75 23.308 20.487 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 75 25.609 20.124 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.768 20.076 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.268 19.120 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.308 20.730 -4.859 1.00 0.00 H new ATOM 1073 N GLU A 76 25.197 23.151 -3.073 1.00 0.00 N ATOM 1074 CA GLU A 76 25.649 24.532 -2.945 1.00 0.00 C ATOM 1075 C GLU A 76 25.762 24.925 -1.476 1.00 0.00 C ATOM 1076 O GLU A 76 26.721 25.580 -1.067 1.00 0.00 O ATOM 1077 CB GLU A 76 24.684 25.476 -3.664 1.00 0.00 C ATOM 1078 CG GLU A 76 24.623 25.247 -5.163 1.00 0.00 C ATOM 1079 CD GLU A 76 25.977 25.401 -5.817 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.416 26.552 -6.016 1.00 0.00 O ATOM 1081 OE2 GLU A 76 26.619 24.374 -6.124 1.00 0.00 O ATOM 0 H GLU A 76 24.318 23.043 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 76 26.634 24.614 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.686 25.352 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.985 26.506 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.237 24.247 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.923 25.953 -5.609 1.00 0.00 H new ATOM 1088 N VAL A 77 24.782 24.502 -0.688 1.00 0.00 N ATOM 1089 CA VAL A 77 24.765 24.781 0.742 1.00 0.00 C ATOM 1090 C VAL A 77 25.941 24.093 1.425 1.00 0.00 C ATOM 1091 O VAL A 77 26.628 24.678 2.265 1.00 0.00 O ATOM 1092 CB VAL A 77 23.454 24.289 1.395 1.00 0.00 C ATOM 1093 CG1 VAL A 77 23.390 24.683 2.863 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.243 24.819 0.643 1.00 0.00 C ATOM 0 H VAL A 77 23.983 23.961 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 77 24.838 25.861 0.866 1.00 0.00 H new ATOM 0 HB VAL A 77 23.442 23.201 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.457 24.323 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 77 24.231 24.240 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 77 23.436 25.768 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.332 24.459 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.254 25.909 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 77 22.274 24.469 -0.389 1.00 0.00 H new ATOM 1104 N VAL A 78 26.178 22.849 1.031 1.00 0.00 N ATOM 1105 CA VAL A 78 27.243 22.047 1.611 1.00 0.00 C ATOM 1106 C VAL A 78 28.616 22.594 1.214 1.00 0.00 C ATOM 1107 O VAL A 78 29.542 22.596 2.021 1.00 0.00 O ATOM 1108 CB VAL A 78 27.117 20.570 1.177 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.193 19.715 1.822 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.735 20.033 1.516 1.00 0.00 C ATOM 0 H VAL A 78 25.642 22.372 0.306 1.00 0.00 H new ATOM 0 HA VAL A 78 27.147 22.101 2.695 1.00 0.00 H new ATOM 0 HB VAL A 78 27.255 20.523 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.079 18.681 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.176 20.082 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.098 19.768 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.663 18.991 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.572 20.102 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.979 20.621 0.996 1.00 0.00 H new ATOM 1120 N ALA A 79 28.729 23.082 -0.019 1.00 0.00 N ATOM 1121 CA ALA A 79 29.983 23.647 -0.522 1.00 0.00 C ATOM 1122 C ALA A 79 30.425 24.862 0.291 1.00 0.00 C ATOM 1123 O ALA A 79 31.616 25.166 0.370 1.00 0.00 O ATOM 1124 CB ALA A 79 29.838 24.029 -1.986 1.00 0.00 C ATOM 0 H ALA A 79 27.964 23.098 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 79 30.751 22.880 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.777 24.448 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.587 23.144 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.046 24.770 -2.092 1.00 0.00 H new ATOM 1130 N THR A 80 29.464 25.555 0.889 1.00 0.00 N ATOM 1131 CA THR A 80 29.754 26.732 1.698 1.00 0.00 C ATOM 1132 C THR A 80 30.421 26.348 3.022 1.00 0.00 C ATOM 1133 O THR A 80 31.074 27.173 3.666 1.00 0.00 O ATOM 1134 CB THR A 80 28.458 27.520 1.993 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.747 27.760 0.772 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.758 28.851 2.669 1.00 0.00 C ATOM 0 H THR A 80 28.473 25.321 0.828 1.00 0.00 H new ATOM 0 HA THR A 80 30.441 27.357 1.127 1.00 0.00 H new ATOM 0 HB THR A 80 27.849 26.920 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.383 26.915 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 80 27.824 29.380 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.275 28.672 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.389 29.456 2.018 1.00 0.00 H new ATOM 1144 N SER A 81 30.275 25.088 3.408 1.00 0.00 N ATOM 1145 CA SER A 81 30.756 24.622 4.699 1.00 0.00 C ATOM 1146 C SER A 81 32.280 24.548 4.735 1.00 0.00 C ATOM 1147 O SER A 81 32.902 23.989 3.828 1.00 0.00 O ATOM 1148 CB SER A 81 30.169 23.247 5.002 1.00 0.00 C ATOM 1149 OG SER A 81 28.769 23.240 4.789 1.00 0.00 O ATOM 0 H SER A 81 29.825 24.368 2.842 1.00 0.00 H new ATOM 0 HA SER A 81 30.434 25.338 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.642 22.497 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.386 22.974 6.035 1.00 0.00 H new ATOM 0 HG SER A 81 28.584 23.163 3.830 1.00 0.00 H new ATOM 1155 N PRO A 82 32.900 25.127 5.778 1.00 0.00 N ATOM 1156 CA PRO A 82 34.345 25.018 5.995 1.00 0.00 C ATOM 1157 C PRO A 82 34.773 23.557 6.124 1.00 0.00 C ATOM 1158 O PRO A 82 34.052 22.749 6.708 1.00 0.00 O ATOM 1159 CB PRO A 82 34.574 25.756 7.319 1.00 0.00 C ATOM 1160 CG PRO A 82 33.396 26.655 7.470 1.00 0.00 C ATOM 1161 CD PRO A 82 32.245 25.947 6.813 1.00 0.00 C ATOM 0 HA PRO A 82 34.921 25.432 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 82 34.646 25.057 8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.504 26.324 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 82 33.186 26.848 8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.580 27.621 6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 82 31.692 25.332 7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.534 26.650 6.379 1.00 0.00 H new ATOM 1169 N PRO A 83 35.951 23.198 5.592 1.00 0.00 N ATOM 1170 CA PRO A 83 36.433 21.810 5.583 1.00 0.00 C ATOM 1171 C PRO A 83 36.466 21.182 6.978 1.00 0.00 C ATOM 1172 O PRO A 83 36.232 19.987 7.134 1.00 0.00 O ATOM 1173 CB PRO A 83 37.854 21.912 5.008 1.00 0.00 C ATOM 1174 CG PRO A 83 38.204 23.362 5.061 1.00 0.00 C ATOM 1175 CD PRO A 83 36.907 24.107 4.946 1.00 0.00 C ATOM 0 HA PRO A 83 35.772 21.168 5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.557 21.317 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.891 21.537 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.713 23.606 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.881 23.630 4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 83 36.950 25.073 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.642 24.300 3.906 1.00 0.00 H new ATOM 1183 N GLN A 84 36.719 22.004 7.989 1.00 0.00 N ATOM 1184 CA GLN A 84 36.823 21.518 9.362 1.00 0.00 C ATOM 1185 C GLN A 84 35.450 21.428 10.033 1.00 0.00 C ATOM 1186 O GLN A 84 35.347 21.078 11.208 1.00 0.00 O ATOM 1187 CB GLN A 84 37.756 22.424 10.168 1.00 0.00 C ATOM 1188 CG GLN A 84 39.197 22.389 9.681 1.00 0.00 C ATOM 1189 CD GLN A 84 40.100 23.339 10.443 1.00 0.00 C ATOM 1190 OE1 GLN A 84 40.686 22.978 11.466 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.232 24.555 9.942 1.00 0.00 N ATOM 0 H GLN A 84 36.856 23.009 7.886 1.00 0.00 H new ATOM 0 HA GLN A 84 37.240 20.511 9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 84 37.388 23.449 10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.726 22.125 11.216 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.583 21.374 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 84 39.223 22.642 8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 84 39.729 24.814 9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.836 25.234 10.404 1.00 0.00 H new ATOM 1200 N SER A 85 34.401 21.748 9.286 1.00 0.00 N ATOM 1201 CA SER A 85 33.038 21.635 9.786 1.00 0.00 C ATOM 1202 C SER A 85 32.205 20.764 8.840 1.00 0.00 C ATOM 1203 O SER A 85 31.093 20.347 9.170 1.00 0.00 O ATOM 1204 CB SER A 85 32.415 23.032 9.921 1.00 0.00 C ATOM 1205 OG SER A 85 31.195 22.997 10.644 1.00 0.00 O ATOM 0 H SER A 85 34.469 22.089 8.327 1.00 0.00 H new ATOM 0 HA SER A 85 33.053 21.163 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 85 33.117 23.696 10.425 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.238 23.448 8.929 1.00 0.00 H new ATOM 0 HG SER A 85 30.692 22.193 10.398 1.00 0.00 H new ATOM 1211 N TYR A 86 32.785 20.463 7.679 1.00 0.00 N ATOM 1212 CA TYR A 86 32.099 19.735 6.611 1.00 0.00 C ATOM 1213 C TYR A 86 31.535 18.411 7.110 1.00 0.00 C ATOM 1214 O TYR A 86 30.384 18.076 6.834 1.00 0.00 O ATOM 1215 CB TYR A 86 33.068 19.478 5.451 1.00 0.00 C ATOM 1216 CG TYR A 86 32.454 18.747 4.274 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.333 17.360 4.277 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.005 19.441 3.159 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.779 16.690 3.206 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.448 18.776 2.084 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.338 17.401 2.113 1.00 0.00 C ATOM 1222 OH TYR A 86 30.789 16.733 1.043 1.00 0.00 O ATOM 0 H TYR A 86 33.746 20.717 7.451 1.00 0.00 H new ATOM 0 HA TYR A 86 31.267 20.350 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.462 20.433 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.914 18.899 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.679 16.799 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.092 20.517 3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.692 15.614 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.100 19.330 1.225 1.00 0.00 H new ATOM 0 HH TYR A 86 31.442 16.692 0.313 1.00 0.00 H new ATOM 1232 N SER A 87 32.349 17.667 7.848 1.00 0.00 N ATOM 1233 CA SER A 87 31.963 16.351 8.334 1.00 0.00 C ATOM 1234 C SER A 87 30.683 16.420 9.163 1.00 0.00 C ATOM 1235 O SER A 87 29.811 15.559 9.051 1.00 0.00 O ATOM 1236 CB SER A 87 33.105 15.754 9.155 1.00 0.00 C ATOM 1237 OG SER A 87 34.335 15.862 8.456 1.00 0.00 O ATOM 0 H SER A 87 33.287 17.957 8.124 1.00 0.00 H new ATOM 0 HA SER A 87 31.763 15.709 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.179 16.269 10.113 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.895 14.707 9.372 1.00 0.00 H new ATOM 0 HG SER A 87 35.054 15.476 8.998 1.00 0.00 H new ATOM 1243 N ALA A 88 30.556 17.464 9.967 1.00 0.00 N ATOM 1244 CA ALA A 88 29.387 17.623 10.815 1.00 0.00 C ATOM 1245 C ALA A 88 28.177 18.038 9.983 1.00 0.00 C ATOM 1246 O ALA A 88 27.049 17.625 10.253 1.00 0.00 O ATOM 1247 CB ALA A 88 29.663 18.642 11.908 1.00 0.00 C ATOM 0 H ALA A 88 31.246 18.211 10.050 1.00 0.00 H new ATOM 0 HA ALA A 88 29.165 16.665 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.779 18.751 12.536 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.501 18.304 12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.908 19.603 11.456 1.00 0.00 H new ATOM 1253 N VAL A 89 28.433 18.837 8.956 1.00 0.00 N ATOM 1254 CA VAL A 89 27.379 19.313 8.067 1.00 0.00 C ATOM 1255 C VAL A 89 26.815 18.165 7.236 1.00 0.00 C ATOM 1256 O VAL A 89 25.602 17.984 7.150 1.00 0.00 O ATOM 1257 CB VAL A 89 27.901 20.418 7.124 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.841 20.814 6.104 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.353 21.631 7.928 1.00 0.00 C ATOM 0 H VAL A 89 29.366 19.171 8.716 1.00 0.00 H new ATOM 0 HA VAL A 89 26.588 19.728 8.692 1.00 0.00 H new ATOM 0 HB VAL A 89 28.758 20.023 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.236 21.594 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.569 19.945 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.958 21.187 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.718 22.402 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.512 22.021 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.152 21.339 8.609 1.00 0.00 H new ATOM 1269 N LEU A 90 27.710 17.384 6.647 1.00 0.00 N ATOM 1270 CA LEU A 90 27.330 16.266 5.799 1.00 0.00 C ATOM 1271 C LEU A 90 26.476 15.267 6.579 1.00 0.00 C ATOM 1272 O LEU A 90 25.455 14.787 6.084 1.00 0.00 O ATOM 1273 CB LEU A 90 28.601 15.601 5.265 1.00 0.00 C ATOM 1274 CG LEU A 90 28.491 14.910 3.903 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.724 13.603 4.009 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.834 15.831 2.882 1.00 0.00 C ATOM 0 H LEU A 90 28.718 17.508 6.744 1.00 0.00 H new ATOM 0 HA LEU A 90 26.731 16.625 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.381 16.359 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.933 14.863 5.996 1.00 0.00 H new ATOM 0 HG LEU A 90 29.502 14.682 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.663 13.136 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.240 12.933 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.718 13.800 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.766 15.320 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.834 16.097 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.432 16.735 2.770 1.00 0.00 H new ATOM 1288 N ASN A 91 26.886 14.979 7.808 1.00 0.00 N ATOM 1289 CA ASN A 91 26.145 14.056 8.666 1.00 0.00 C ATOM 1290 C ASN A 91 24.762 14.608 9.001 1.00 0.00 C ATOM 1291 O ASN A 91 23.804 13.849 9.150 1.00 0.00 O ATOM 1292 CB ASN A 91 26.918 13.757 9.954 1.00 0.00 C ATOM 1293 CG ASN A 91 27.938 12.645 9.781 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.629 11.469 9.967 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.162 13.005 9.430 1.00 0.00 N ATOM 0 H ASN A 91 27.726 15.369 8.235 1.00 0.00 H new ATOM 0 HA ASN A 91 26.022 13.125 8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.426 14.662 10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.214 13.480 10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.886 12.297 9.305 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.382 13.990 9.284 1.00 0.00 H new ATOM 1302 N THR A 92 24.661 15.926 9.109 1.00 0.00 N ATOM 1303 CA THR A 92 23.382 16.575 9.364 1.00 0.00 C ATOM 1304 C THR A 92 22.444 16.381 8.171 1.00 0.00 C ATOM 1305 O THR A 92 21.256 16.094 8.340 1.00 0.00 O ATOM 1306 CB THR A 92 23.568 18.083 9.648 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.448 18.266 10.766 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.234 18.758 9.936 1.00 0.00 C ATOM 0 H THR A 92 25.450 16.567 9.024 1.00 0.00 H new ATOM 0 HA THR A 92 22.941 16.113 10.247 1.00 0.00 H new ATOM 0 HB THR A 92 24.002 18.541 8.759 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.330 17.898 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.397 19.818 10.132 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.576 18.645 9.075 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.773 18.295 10.808 1.00 0.00 H new ATOM 1316 N ILE A 93 22.996 16.518 6.967 1.00 0.00 N ATOM 1317 CA ILE A 93 22.227 16.336 5.740 1.00 0.00 C ATOM 1318 C ILE A 93 21.626 14.935 5.684 1.00 0.00 C ATOM 1319 O ILE A 93 20.415 14.777 5.503 1.00 0.00 O ATOM 1320 CB ILE A 93 23.102 16.567 4.483 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.722 17.970 4.503 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.285 16.363 3.211 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.704 19.092 4.524 1.00 0.00 C ATOM 0 H ILE A 93 23.976 16.755 6.816 1.00 0.00 H new ATOM 0 HA ILE A 93 21.426 17.076 5.749 1.00 0.00 H new ATOM 0 HB ILE A 93 23.909 15.835 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.365 18.060 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.359 18.087 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.919 16.530 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.897 15.345 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.454 17.068 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 93 23.221 20.052 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 93 22.076 19.030 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 93 22.082 19.002 5.415 1.00 0.00 H new ATOM 1335 N GLY A 94 22.474 13.931 5.874 1.00 0.00 N ATOM 1336 CA GLY A 94 22.031 12.550 5.809 1.00 0.00 C ATOM 1337 C GLY A 94 20.981 12.223 6.849 1.00 0.00 C ATOM 1338 O GLY A 94 19.981 11.567 6.551 1.00 0.00 O ATOM 0 H GLY A 94 23.467 14.050 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.628 12.348 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.889 11.891 5.945 1.00 0.00 H new ATOM 1342 N ALA A 95 21.203 12.698 8.062 1.00 0.00 N ATOM 1343 CA ALA A 95 20.290 12.439 9.168 1.00 0.00 C ATOM 1344 C ALA A 95 18.906 13.008 8.887 1.00 0.00 C ATOM 1345 O ALA A 95 17.904 12.292 8.964 1.00 0.00 O ATOM 1346 CB ALA A 95 20.844 13.018 10.459 1.00 0.00 C ATOM 0 H ALA A 95 22.011 13.268 8.310 1.00 0.00 H new ATOM 0 HA ALA A 95 20.195 11.359 9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.150 12.816 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.808 12.559 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.972 14.095 10.349 1.00 0.00 H new ATOM 1352 N CYS A 96 18.857 14.289 8.542 1.00 0.00 N ATOM 1353 CA CYS A 96 17.592 14.965 8.290 1.00 0.00 C ATOM 1354 C CYS A 96 16.879 14.369 7.083 1.00 0.00 C ATOM 1355 O CYS A 96 15.672 14.136 7.124 1.00 0.00 O ATOM 1356 CB CYS A 96 17.814 16.465 8.087 1.00 0.00 C ATOM 1357 SG CYS A 96 18.430 17.332 9.565 1.00 0.00 S ATOM 0 H CYS A 96 19.680 14.881 8.430 1.00 0.00 H new ATOM 0 HA CYS A 96 16.958 14.820 9.164 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.523 16.609 7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.874 16.922 7.776 1.00 0.00 H new ATOM 1362 N LEU A 97 17.628 14.097 6.020 1.00 0.00 N ATOM 1363 CA LEU A 97 17.047 13.574 4.790 1.00 0.00 C ATOM 1364 C LEU A 97 16.413 12.205 5.039 1.00 0.00 C ATOM 1365 O LEU A 97 15.297 11.938 4.589 1.00 0.00 O ATOM 1366 CB LEU A 97 18.127 13.496 3.697 1.00 0.00 C ATOM 1367 CG LEU A 97 17.630 13.379 2.245 1.00 0.00 C ATOM 1368 CD1 LEU A 97 17.156 11.969 1.934 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.517 14.382 1.971 1.00 0.00 C ATOM 0 H LEU A 97 18.639 14.230 5.986 1.00 0.00 H new ATOM 0 HA LEU A 97 16.260 14.247 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.753 14.385 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.765 12.638 3.909 1.00 0.00 H new ATOM 0 HG LEU A 97 18.472 13.605 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.812 11.920 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.979 11.269 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.337 11.705 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.182 14.281 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.681 14.191 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.890 15.393 2.134 1.00 0.00 H new ATOM 1381 N ARG A 98 17.119 11.358 5.783 1.00 0.00 N ATOM 1382 CA ARG A 98 16.652 10.014 6.091 1.00 0.00 C ATOM 1383 C ARG A 98 15.280 10.030 6.768 1.00 0.00 C ATOM 1384 O ARG A 98 14.344 9.373 6.304 1.00 0.00 O ATOM 1385 CB ARG A 98 17.677 9.328 6.988 1.00 0.00 C ATOM 1386 CG ARG A 98 17.255 7.965 7.498 1.00 0.00 C ATOM 1387 CD ARG A 98 18.310 7.403 8.427 1.00 0.00 C ATOM 1388 NE ARG A 98 17.896 6.145 9.048 1.00 0.00 N ATOM 1389 CZ ARG A 98 18.629 5.480 9.940 1.00 0.00 C ATOM 1390 NH1 ARG A 98 19.810 5.956 10.317 1.00 0.00 N ATOM 1391 NH2 ARG A 98 18.180 4.340 10.460 1.00 0.00 N ATOM 0 H ARG A 98 18.028 11.585 6.187 1.00 0.00 H new ATOM 0 HA ARG A 98 16.542 9.462 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.611 9.222 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.883 9.973 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.303 8.044 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.101 7.287 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 98 19.233 7.243 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.531 8.133 9.205 1.00 0.00 H new ATOM 0 HE ARG A 98 16.992 5.754 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.156 6.831 9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.371 5.447 11.000 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.272 3.973 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.744 3.834 11.143 1.00 0.00 H new ATOM 1405 N GLU A 99 15.157 10.784 7.856 1.00 0.00 N ATOM 1406 CA GLU A 99 13.909 10.816 8.609 1.00 0.00 C ATOM 1407 C GLU A 99 12.811 11.524 7.825 1.00 0.00 C ATOM 1408 O GLU A 99 11.680 11.050 7.776 1.00 0.00 O ATOM 1409 CB GLU A 99 14.100 11.481 9.976 1.00 0.00 C ATOM 1410 CG GLU A 99 14.692 12.880 9.923 1.00 0.00 C ATOM 1411 CD GLU A 99 14.781 13.522 11.293 1.00 0.00 C ATOM 1412 OE1 GLU A 99 15.815 13.348 11.967 1.00 0.00 O ATOM 1413 OE2 GLU A 99 13.816 14.202 11.699 1.00 0.00 O ATOM 0 H GLU A 99 15.898 11.375 8.233 1.00 0.00 H new ATOM 0 HA GLU A 99 13.603 9.783 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.135 11.528 10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.747 10.850 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.687 12.834 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.082 13.505 9.271 1.00 0.00 H new ATOM 1420 N SER A 100 13.157 12.639 7.194 1.00 0.00 N ATOM 1421 CA SER A 100 12.190 13.433 6.443 1.00 0.00 C ATOM 1422 C SER A 100 11.526 12.619 5.336 1.00 0.00 C ATOM 1423 O SER A 100 10.323 12.755 5.096 1.00 0.00 O ATOM 1424 CB SER A 100 12.870 14.665 5.847 1.00 0.00 C ATOM 1425 OG SER A 100 13.428 15.477 6.866 1.00 0.00 O ATOM 0 H SER A 100 14.105 13.016 7.187 1.00 0.00 H new ATOM 0 HA SER A 100 11.412 13.747 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.652 14.354 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.146 15.242 5.272 1.00 0.00 H new ATOM 0 HG SER A 100 14.237 15.051 7.217 1.00 0.00 H new ATOM 1431 N MET A 101 12.305 11.769 4.673 1.00 0.00 N ATOM 1432 CA MET A 101 11.788 10.959 3.587 1.00 0.00 C ATOM 1433 C MET A 101 10.739 9.971 4.085 1.00 0.00 C ATOM 1434 O MET A 101 9.622 9.920 3.566 1.00 0.00 O ATOM 1435 CB MET A 101 12.909 10.205 2.885 1.00 0.00 C ATOM 1436 CG MET A 101 12.404 9.488 1.673 1.00 0.00 C ATOM 1437 SD MET A 101 13.679 8.648 0.744 1.00 0.00 S ATOM 1438 CE MET A 101 12.709 8.336 -0.713 1.00 0.00 C ATOM 0 H MET A 101 13.295 11.627 4.873 1.00 0.00 H new ATOM 0 HA MET A 101 11.319 11.637 2.874 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.695 10.903 2.596 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.356 9.489 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.653 8.760 1.980 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.905 10.205 1.021 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.371 8.125 -1.553 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.058 7.479 -0.540 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.102 9.212 -0.941 1.00 0.00 H new ATOM 1448 N MET A 102 11.088 9.198 5.105 1.00 0.00 N ATOM 1449 CA MET A 102 10.187 8.171 5.607 1.00 0.00 C ATOM 1450 C MET A 102 9.049 8.784 6.409 1.00 0.00 C ATOM 1451 O MET A 102 7.978 8.190 6.530 1.00 0.00 O ATOM 1452 CB MET A 102 10.936 7.149 6.458 1.00 0.00 C ATOM 1453 CG MET A 102 11.424 7.678 7.794 1.00 0.00 C ATOM 1454 SD MET A 102 12.148 6.380 8.811 1.00 0.00 S ATOM 1455 CE MET A 102 10.816 5.179 8.802 1.00 0.00 C ATOM 0 H MET A 102 11.980 9.262 5.596 1.00 0.00 H new ATOM 0 HA MET A 102 9.765 7.658 4.743 1.00 0.00 H new ATOM 0 HB2 MET A 102 10.282 6.295 6.637 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.792 6.782 5.892 1.00 0.00 H new ATOM 0 HG2 MET A 102 12.163 8.461 7.625 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.591 8.135 8.329 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.843 4.599 9.725 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.860 5.697 8.726 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.935 4.510 7.950 1.00 0.00 H new ATOM 1465 N GLN A 103 9.290 9.972 6.946 1.00 0.00 N ATOM 1466 CA GLN A 103 8.274 10.700 7.704 1.00 0.00 C ATOM 1467 C GLN A 103 7.063 11.009 6.832 1.00 0.00 C ATOM 1468 O GLN A 103 5.944 11.126 7.326 1.00 0.00 O ATOM 1469 CB GLN A 103 8.842 12.010 8.255 1.00 0.00 C ATOM 1470 CG GLN A 103 8.704 12.151 9.762 1.00 0.00 C ATOM 1471 CD GLN A 103 9.577 11.167 10.517 1.00 0.00 C ATOM 1472 OE1 GLN A 103 10.724 11.464 10.848 1.00 0.00 O ATOM 1473 NE2 GLN A 103 9.047 9.988 10.791 1.00 0.00 N ATOM 0 H GLN A 103 10.184 10.457 6.872 1.00 0.00 H new ATOM 0 HA GLN A 103 7.966 10.064 8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.896 12.079 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.336 12.846 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.969 13.167 10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.662 11.999 10.045 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.092 9.778 10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.593 9.288 11.293 1.00 0.00 H new ATOM 1482 N ALA A 104 7.301 11.138 5.532 1.00 0.00 N ATOM 1483 CA ALA A 104 6.246 11.457 4.586 1.00 0.00 C ATOM 1484 C ALA A 104 5.200 10.347 4.529 1.00 0.00 C ATOM 1485 O ALA A 104 4.087 10.514 5.028 1.00 0.00 O ATOM 1486 CB ALA A 104 6.841 11.710 3.211 1.00 0.00 C ATOM 0 H ALA A 104 8.223 11.025 5.110 1.00 0.00 H new ATOM 0 HA ALA A 104 5.744 12.363 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.043 11.948 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.539 12.545 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.368 10.818 2.873 1.00 0.00 H new ATOM 1492 N THR A 105 5.569 9.210 3.940 1.00 0.00 N ATOM 1493 CA THR A 105 4.650 8.084 3.791 1.00 0.00 C ATOM 1494 C THR A 105 5.289 6.961 2.973 1.00 0.00 C ATOM 1495 O THR A 105 5.020 5.781 3.199 1.00 0.00 O ATOM 1496 CB THR A 105 3.316 8.513 3.122 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.451 7.384 2.948 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.568 9.175 1.774 1.00 0.00 C ATOM 0 H THR A 105 6.500 9.045 3.558 1.00 0.00 H new ATOM 0 HA THR A 105 4.432 7.721 4.795 1.00 0.00 H new ATOM 0 HB THR A 105 2.834 9.234 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.615 7.674 2.527 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.617 9.465 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.189 10.060 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.079 8.474 1.114 1.00 0.00 H new ATOM 1506 N GLY A 106 6.159 7.332 2.039 1.00 0.00 N ATOM 1507 CA GLY A 106 6.740 6.356 1.135 1.00 0.00 C ATOM 1508 C GLY A 106 7.983 5.687 1.687 1.00 0.00 C ATOM 1509 O GLY A 106 8.683 4.987 0.956 1.00 0.00 O ATOM 0 H GLY A 106 6.472 8.292 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.995 5.592 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.988 6.847 0.194 1.00 0.00 H new ATOM 1513 N SER A 107 8.248 5.894 2.980 1.00 0.00 N ATOM 1514 CA SER A 107 9.430 5.361 3.632 1.00 0.00 C ATOM 1515 C SER A 107 10.703 5.944 3.028 1.00 0.00 C ATOM 1516 O SER A 107 10.653 6.842 2.188 1.00 0.00 O ATOM 1517 CB SER A 107 9.424 3.833 3.569 1.00 0.00 C ATOM 1518 OG SER A 107 8.334 3.312 4.315 1.00 0.00 O ATOM 0 H SER A 107 7.644 6.437 3.597 1.00 0.00 H new ATOM 0 HA SER A 107 9.411 5.656 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.353 3.506 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.362 3.443 3.963 1.00 0.00 H new ATOM 0 HG SER A 107 8.341 2.333 4.265 1.00 0.00 H new ATOM 1524 N VAL A 108 11.838 5.457 3.484 1.00 0.00 N ATOM 1525 CA VAL A 108 13.113 5.971 3.050 1.00 0.00 C ATOM 1526 C VAL A 108 13.788 4.971 2.112 1.00 0.00 C ATOM 1527 O VAL A 108 14.222 3.891 2.519 1.00 0.00 O ATOM 1528 CB VAL A 108 13.999 6.325 4.269 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.970 5.224 5.315 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.424 6.618 3.849 1.00 0.00 C ATOM 0 H VAL A 108 11.899 4.698 4.162 1.00 0.00 H new ATOM 0 HA VAL A 108 12.960 6.894 2.490 1.00 0.00 H new ATOM 0 HB VAL A 108 13.584 7.228 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.603 5.505 6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.947 5.079 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.340 4.297 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 108 16.019 6.863 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.846 5.741 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.434 7.461 3.158 1.00 0.00 H new ATOM 1540 N ASP A 109 13.807 5.339 0.841 1.00 0.00 N ATOM 1541 CA ASP A 109 14.324 4.485 -0.229 1.00 0.00 C ATOM 1542 C ASP A 109 15.848 4.368 -0.173 1.00 0.00 C ATOM 1543 O ASP A 109 16.540 5.293 0.258 1.00 0.00 O ATOM 1544 CB ASP A 109 13.885 5.041 -1.586 1.00 0.00 C ATOM 1545 CG ASP A 109 14.454 4.262 -2.751 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.887 3.213 -3.101 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.472 4.699 -3.314 1.00 0.00 O ATOM 0 H ASP A 109 13.463 6.243 0.516 1.00 0.00 H new ATOM 0 HA ASP A 109 13.914 3.484 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.797 5.029 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.196 6.083 -1.665 1.00 0.00 H new ATOM 1552 N ASN A 110 16.363 3.230 -0.629 1.00 0.00 N ATOM 1553 CA ASN A 110 17.788 2.923 -0.533 1.00 0.00 C ATOM 1554 C ASN A 110 18.600 3.589 -1.646 1.00 0.00 C ATOM 1555 O ASN A 110 19.785 3.864 -1.471 1.00 0.00 O ATOM 1556 CB ASN A 110 18.014 1.406 -0.564 1.00 0.00 C ATOM 1557 CG ASN A 110 17.540 0.758 -1.856 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.284 0.663 -2.833 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.299 0.294 -1.863 1.00 0.00 N ATOM 0 H ASN A 110 15.809 2.498 -1.073 1.00 0.00 H new ATOM 0 HA ASN A 110 18.136 3.325 0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 110 19.076 1.200 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 110 17.492 0.950 0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.929 -0.161 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.713 0.392 -1.034 1.00 0.00 H new ATOM 1566 N ALA A 111 17.970 3.858 -2.780 1.00 0.00 N ATOM 1567 CA ALA A 111 18.679 4.414 -3.927 1.00 0.00 C ATOM 1568 C ALA A 111 18.612 5.932 -3.911 1.00 0.00 C ATOM 1569 O ALA A 111 19.609 6.607 -4.160 1.00 0.00 O ATOM 1570 CB ALA A 111 18.102 3.871 -5.226 1.00 0.00 C ATOM 0 H ALA A 111 16.974 3.702 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 111 19.725 4.114 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.643 4.297 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.200 2.786 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.048 4.141 -5.297 1.00 0.00 H new ATOM 1576 N PHE A 112 17.430 6.452 -3.610 1.00 0.00 N ATOM 1577 CA PHE A 112 17.204 7.889 -3.510 1.00 0.00 C ATOM 1578 C PHE A 112 18.194 8.522 -2.545 1.00 0.00 C ATOM 1579 O PHE A 112 18.965 9.402 -2.926 1.00 0.00 O ATOM 1580 CB PHE A 112 15.764 8.143 -3.044 1.00 0.00 C ATOM 1581 CG PHE A 112 15.395 9.592 -2.865 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.734 10.274 -1.705 1.00 0.00 C ATOM 1583 CD2 PHE A 112 14.686 10.265 -3.844 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.376 11.594 -1.530 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.328 11.587 -3.672 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.672 12.252 -2.516 1.00 0.00 C ATOM 0 H PHE A 112 16.599 5.889 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 112 17.353 8.344 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.081 7.697 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.609 7.625 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.286 9.764 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.410 9.751 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.647 12.112 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.777 12.101 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.391 13.286 -2.382 1.00 0.00 H new ATOM 1596 N THR A 113 18.182 8.053 -1.307 1.00 0.00 N ATOM 1597 CA THR A 113 19.040 8.604 -0.275 1.00 0.00 C ATOM 1598 C THR A 113 20.511 8.430 -0.635 1.00 0.00 C ATOM 1599 O THR A 113 21.313 9.338 -0.449 1.00 0.00 O ATOM 1600 CB THR A 113 18.756 7.946 1.086 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.835 6.518 0.968 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.380 8.345 1.601 1.00 0.00 C ATOM 0 H THR A 113 17.584 7.289 -0.994 1.00 0.00 H new ATOM 0 HA THR A 113 18.822 9.669 -0.203 1.00 0.00 H new ATOM 0 HB THR A 113 19.507 8.291 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.955 6.161 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.200 7.868 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.335 9.428 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.618 8.025 0.890 1.00 0.00 H new ATOM 1610 N ASN A 114 20.850 7.271 -1.176 1.00 0.00 N ATOM 1611 CA ASN A 114 22.226 6.970 -1.554 1.00 0.00 C ATOM 1612 C ASN A 114 22.706 7.868 -2.692 1.00 0.00 C ATOM 1613 O ASN A 114 23.848 8.323 -2.673 1.00 0.00 O ATOM 1614 CB ASN A 114 22.347 5.492 -1.936 1.00 0.00 C ATOM 1615 CG ASN A 114 23.630 5.162 -2.677 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.670 4.915 -2.066 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.555 5.129 -4.000 1.00 0.00 N ATOM 0 H ASN A 114 20.189 6.518 -1.365 1.00 0.00 H new ATOM 0 HA ASN A 114 22.868 7.169 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.292 4.885 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.496 5.215 -2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.379 4.892 -4.552 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.673 5.341 -4.466 1.00 0.00 H new ATOM 1624 N GLU A 115 21.847 8.121 -3.681 1.00 0.00 N ATOM 1625 CA GLU A 115 22.180 9.006 -4.761 1.00 0.00 C ATOM 1626 C GLU A 115 22.393 10.415 -4.228 1.00 0.00 C ATOM 1627 O GLU A 115 23.406 11.053 -4.516 1.00 0.00 O ATOM 1628 CB GLU A 115 21.074 9.005 -5.808 1.00 0.00 C ATOM 1629 CG GLU A 115 21.477 9.776 -7.027 1.00 0.00 C ATOM 1630 CD GLU A 115 20.375 9.927 -8.052 1.00 0.00 C ATOM 1631 OE1 GLU A 115 19.997 8.913 -8.678 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.888 11.064 -8.246 1.00 0.00 O ATOM 0 H GLU A 115 20.913 7.715 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 115 23.101 8.658 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.835 7.979 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.168 9.439 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.814 10.767 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.328 9.279 -7.494 1.00 0.00 H new ATOM 1639 N VAL A 116 21.434 10.891 -3.440 1.00 0.00 N ATOM 1640 CA VAL A 116 21.563 12.185 -2.782 1.00 0.00 C ATOM 1641 C VAL A 116 22.867 12.241 -1.979 1.00 0.00 C ATOM 1642 O VAL A 116 23.698 13.118 -2.191 1.00 0.00 O ATOM 1643 CB VAL A 116 20.354 12.473 -1.858 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.534 13.784 -1.106 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.063 12.504 -2.664 1.00 0.00 C ATOM 0 H VAL A 116 20.562 10.401 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 116 21.584 12.953 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 116 20.295 11.667 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.669 13.958 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.434 13.731 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.628 14.603 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.224 12.708 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.125 13.287 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.915 11.540 -3.151 1.00 0.00 H new ATOM 1655 N MET A 117 23.075 11.251 -1.120 1.00 0.00 N ATOM 1656 CA MET A 117 24.259 11.198 -0.260 1.00 0.00 C ATOM 1657 C MET A 117 25.522 10.840 -1.040 1.00 0.00 C ATOM 1658 O MET A 117 26.580 10.621 -0.452 1.00 0.00 O ATOM 1659 CB MET A 117 24.040 10.198 0.878 1.00 0.00 C ATOM 1660 CG MET A 117 22.920 10.590 1.833 1.00 0.00 C ATOM 1661 SD MET A 117 22.814 12.373 2.127 1.00 0.00 S ATOM 1662 CE MET A 117 24.399 12.731 2.884 1.00 0.00 C ATOM 0 H MET A 117 22.435 10.466 -0.997 1.00 0.00 H new ATOM 0 HA MET A 117 24.405 12.195 0.155 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.816 9.220 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.967 10.095 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 117 21.970 10.239 1.430 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.070 10.081 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.253 13.394 3.737 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.860 11.802 3.220 1.00 0.00 H new ATOM 0 HE3 MET A 117 25.049 13.215 2.155 1.00 0.00 H new ATOM 1672 N GLN A 118 25.410 10.776 -2.358 1.00 0.00 N ATOM 1673 CA GLN A 118 26.570 10.601 -3.218 1.00 0.00 C ATOM 1674 C GLN A 118 26.855 11.904 -3.945 1.00 0.00 C ATOM 1675 O GLN A 118 27.956 12.451 -3.874 1.00 0.00 O ATOM 1676 CB GLN A 118 26.323 9.480 -4.233 1.00 0.00 C ATOM 1677 CG GLN A 118 27.501 9.209 -5.153 1.00 0.00 C ATOM 1678 CD GLN A 118 27.157 8.225 -6.252 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.721 8.614 -7.333 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.341 6.944 -5.983 1.00 0.00 N ATOM 0 H GLN A 118 24.523 10.843 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 118 27.429 10.326 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.077 8.564 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.454 9.737 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.834 10.146 -5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.334 8.820 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.705 6.661 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.119 6.238 -6.685 1.00 0.00 H new ATOM 1689 N LEU A 119 25.835 12.412 -4.622 1.00 0.00 N ATOM 1690 CA LEU A 119 25.964 13.619 -5.410 1.00 0.00 C ATOM 1691 C LEU A 119 26.129 14.858 -4.539 1.00 0.00 C ATOM 1692 O LEU A 119 26.873 15.754 -4.906 1.00 0.00 O ATOM 1693 CB LEU A 119 24.777 13.787 -6.358 1.00 0.00 C ATOM 1694 CG LEU A 119 24.862 12.968 -7.648 1.00 0.00 C ATOM 1695 CD1 LEU A 119 24.704 11.485 -7.382 1.00 0.00 C ATOM 1696 CD2 LEU A 119 23.820 13.438 -8.640 1.00 0.00 C ATOM 0 H LEU A 119 24.903 11.999 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 119 26.872 13.512 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.866 13.510 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 119 24.686 14.841 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 119 25.854 13.124 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 119 24.770 10.938 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 119 25.494 11.150 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 119 23.734 11.299 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.893 12.846 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 119 22.826 13.318 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 119 23.989 14.489 -8.875 1.00 0.00 H new ATOM 1708 N VAL A 120 25.461 14.911 -3.387 1.00 0.00 N ATOM 1709 CA VAL A 120 25.607 16.058 -2.484 1.00 0.00 C ATOM 1710 C VAL A 120 27.076 16.280 -2.137 1.00 0.00 C ATOM 1711 O VAL A 120 27.545 17.415 -2.044 1.00 0.00 O ATOM 1712 CB VAL A 120 24.789 15.881 -1.181 1.00 0.00 C ATOM 1713 CG1 VAL A 120 25.153 16.943 -0.157 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.302 15.936 -1.478 1.00 0.00 C ATOM 0 H VAL A 120 24.822 14.187 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 120 25.218 16.930 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 120 25.033 14.904 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.563 16.794 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.213 16.867 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.944 17.931 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.741 15.810 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 120 23.055 16.900 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 120 23.040 15.138 -2.172 1.00 0.00 H new ATOM 1724 N LYS A 121 27.800 15.183 -1.990 1.00 0.00 N ATOM 1725 CA LYS A 121 29.219 15.231 -1.680 1.00 0.00 C ATOM 1726 C LYS A 121 30.028 15.540 -2.937 1.00 0.00 C ATOM 1727 O LYS A 121 30.867 16.435 -2.944 1.00 0.00 O ATOM 1728 CB LYS A 121 29.662 13.890 -1.094 1.00 0.00 C ATOM 1729 CG LYS A 121 28.842 13.454 0.110 1.00 0.00 C ATOM 1730 CD LYS A 121 29.166 12.029 0.526 1.00 0.00 C ATOM 1731 CE LYS A 121 30.593 11.902 1.046 1.00 0.00 C ATOM 1732 NZ LYS A 121 30.965 10.488 1.327 1.00 0.00 N ATOM 0 H LYS A 121 27.424 14.239 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 121 29.394 16.021 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.594 13.124 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.711 13.958 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.034 14.129 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.781 13.532 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 121 28.468 11.708 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 121 29.028 11.362 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 121 31.284 12.319 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.700 12.492 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 31.943 10.450 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 30.323 10.096 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 30.889 9.929 0.453 1.00 0.00 H new ATOM 1746 N MET A 122 29.746 14.802 -4.006 1.00 0.00 N ATOM 1747 CA MET A 122 30.507 14.909 -5.250 1.00 0.00 C ATOM 1748 C MET A 122 30.320 16.267 -5.931 1.00 0.00 C ATOM 1749 O MET A 122 31.248 16.795 -6.543 1.00 0.00 O ATOM 1750 CB MET A 122 30.096 13.785 -6.205 1.00 0.00 C ATOM 1751 CG MET A 122 30.815 13.820 -7.543 1.00 0.00 C ATOM 1752 SD MET A 122 30.285 12.497 -8.653 1.00 0.00 S ATOM 1753 CE MET A 122 28.554 12.907 -8.882 1.00 0.00 C ATOM 0 H MET A 122 28.990 14.118 -4.037 1.00 0.00 H new ATOM 0 HA MET A 122 31.563 14.816 -4.997 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.289 12.825 -5.725 1.00 0.00 H new ATOM 0 HB3 MET A 122 29.022 13.844 -6.379 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.637 14.783 -8.021 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.889 13.740 -7.376 1.00 0.00 H new ATOM 0 HE1 MET A 122 28.280 12.758 -9.926 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.941 12.264 -8.251 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.388 13.949 -8.608 1.00 0.00 H new ATOM 1763 N LEU A 123 29.128 16.837 -5.814 1.00 0.00 N ATOM 1764 CA LEU A 123 28.810 18.090 -6.492 1.00 0.00 C ATOM 1765 C LEU A 123 29.298 19.293 -5.684 1.00 0.00 C ATOM 1766 O LEU A 123 29.040 20.437 -6.056 1.00 0.00 O ATOM 1767 CB LEU A 123 27.298 18.220 -6.731 1.00 0.00 C ATOM 1768 CG LEU A 123 26.640 17.111 -7.565 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.130 17.272 -7.549 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.144 17.124 -8.999 1.00 0.00 C ATOM 0 H LEU A 123 28.365 16.453 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 123 29.323 18.075 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.801 18.259 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 123 27.111 19.174 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 123 26.908 16.153 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.673 16.481 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.768 17.210 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.863 18.242 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.659 16.327 -9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.912 18.085 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.223 16.969 -9.007 1.00 0.00 H new ATOM 1782 N SER A 124 29.996 19.037 -4.585 1.00 0.00 N ATOM 1783 CA SER A 124 30.511 20.105 -3.746 1.00 0.00 C ATOM 1784 C SER A 124 31.992 19.876 -3.452 1.00 0.00 C ATOM 1785 O SER A 124 32.856 20.606 -3.944 1.00 0.00 O ATOM 1786 CB SER A 124 29.706 20.185 -2.444 1.00 0.00 C ATOM 1787 OG SER A 124 29.687 18.936 -1.771 1.00 0.00 O ATOM 0 H SER A 124 30.217 18.097 -4.256 1.00 0.00 H new ATOM 0 HA SER A 124 30.409 21.053 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 124 30.139 20.945 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.685 20.497 -2.664 1.00 0.00 H new ATOM 0 HG SER A 124 28.761 18.626 -1.682 1.00 0.00 H new ATOM 1793 N ALA A 125 32.274 18.835 -2.676 1.00 0.00 N ATOM 1794 CA ALA A 125 33.634 18.488 -2.297 1.00 0.00 C ATOM 1795 C ALA A 125 33.663 17.180 -1.519 1.00 0.00 C ATOM 1796 O ALA A 125 33.209 17.113 -0.378 1.00 0.00 O ATOM 1797 CB ALA A 125 34.256 19.594 -1.464 1.00 0.00 C ATOM 0 H ALA A 125 31.565 18.210 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 125 34.214 18.364 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 125 35.274 19.315 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 125 34.276 20.518 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.666 19.745 -0.560 1.00 0.00 H new