USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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 91 HIS : no HD1:sc= -0.0903 X(o=-0.18,f=-0.053) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.0935 X(o=-0.18,f=0) USER MOD Set 2.1: A 92 HIS : no HE2:sc= 0.187 K(o=0.37,f=-1.4) USER MOD Set 2.2: A 93 HIS : no HD1:sc= 0.179 X(o=0.37,f=0) USER MOD Set 3.1: A 23 SER OG : rot -170:sc= -0.485 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00208 (180deg=-0.175) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 6 GLN : amide:sc= -3.67! C(o=-3.7!,f=-3.2!) USER MOD Single : A 8 CYS SG : rot -22:sc= -0.95! USER MOD Single : A 9 SER OG : rot 180:sc= -0.331 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0343) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 25 GLN : amide:sc= 0.212 K(o=0.21,f=-0.4) USER MOD Single : A 27 ASN : amide:sc= -2.12! C(o=-2.1!,f=-5.8!) USER MOD Single : A 32 CYS SG : rot -76:sc= -0.0535 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.32) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -178:sc= -1.24 USER MOD Single : A 58 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.24) USER MOD Single : A 59 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 62 SER OG : rot 82:sc= 0.447 USER MOD Single : A 65 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.61) USER MOD Single : A 79 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.92) USER MOD Single : A 82 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= 0.681 K(o=0.68,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 86.318 15.040 -2.153 1.00 0.00 N ATOM 2 CA MET A 1 85.200 15.256 -3.058 1.00 0.00 C ATOM 3 C MET A 1 83.895 15.253 -2.281 1.00 0.00 C ATOM 4 O MET A 1 83.393 14.203 -1.919 1.00 0.00 O ATOM 5 CB MET A 1 85.174 14.181 -4.156 1.00 0.00 C ATOM 6 CG MET A 1 83.934 14.222 -5.033 1.00 0.00 C ATOM 7 SD MET A 1 83.731 15.767 -5.940 1.00 0.00 S ATOM 8 CE MET A 1 85.078 15.633 -7.116 1.00 0.00 C ATOM 0 H1 MET A 1 87.207 15.043 -2.693 1.00 0.00 H new ATOM 0 H2 MET A 1 86.341 15.799 -1.443 1.00 0.00 H new ATOM 0 H3 MET A 1 86.206 14.123 -1.676 1.00 0.00 H new ATOM 0 HA MET A 1 85.323 16.227 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 1 86.056 14.298 -4.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 85.244 13.198 -3.690 1.00 0.00 H new ATOM 0 HG2 MET A 1 83.977 13.397 -5.745 1.00 0.00 H new ATOM 0 HG3 MET A 1 83.055 14.060 -4.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.967 16.397 -7.885 1.00 0.00 H new ATOM 0 HE2 MET A 1 86.027 15.774 -6.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 85.060 14.647 -7.579 1.00 0.00 H new ATOM 20 N HIS A 2 83.371 16.421 -2.005 1.00 0.00 N ATOM 21 CA HIS A 2 82.120 16.535 -1.265 1.00 0.00 C ATOM 22 C HIS A 2 80.945 16.729 -2.205 1.00 0.00 C ATOM 23 O HIS A 2 79.857 16.202 -1.962 1.00 0.00 O ATOM 24 CB HIS A 2 82.154 17.696 -0.251 1.00 0.00 C ATOM 25 CG HIS A 2 83.228 17.597 0.790 1.00 0.00 C ATOM 26 ND1 HIS A 2 83.473 16.476 1.537 1.00 0.00 N ATOM 27 CD2 HIS A 2 84.136 18.513 1.187 1.00 0.00 C ATOM 28 CE1 HIS A 2 84.495 16.728 2.351 1.00 0.00 C ATOM 29 NE2 HIS A 2 84.941 17.962 2.180 1.00 0.00 N ATOM 0 H HIS A 2 83.785 17.312 -2.278 1.00 0.00 H new ATOM 0 HA HIS A 2 81.997 15.600 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 2 82.283 18.631 -0.796 1.00 0.00 H new ATOM 0 HB3 HIS A 2 81.187 17.749 0.250 1.00 0.00 H new ATOM 0 HD1 HIS A 2 82.959 15.597 1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 2 84.224 19.516 0.796 1.00 0.00 H new ATOM 0 HE1 HIS A 2 84.905 16.021 3.056 1.00 0.00 H new ATOM 37 N THR A 3 81.165 17.489 -3.265 1.00 0.00 N ATOM 38 CA THR A 3 80.129 17.817 -4.230 1.00 0.00 C ATOM 39 C THR A 3 79.608 16.589 -4.982 1.00 0.00 C ATOM 40 O THR A 3 78.403 16.342 -5.023 1.00 0.00 O ATOM 41 CB THR A 3 80.637 18.876 -5.226 1.00 0.00 C ATOM 42 OG1 THR A 3 81.069 20.042 -4.503 1.00 0.00 O ATOM 43 CG2 THR A 3 79.553 19.267 -6.229 1.00 0.00 C ATOM 0 H THR A 3 82.074 17.898 -3.481 1.00 0.00 H new ATOM 0 HA THR A 3 79.290 18.223 -3.664 1.00 0.00 H new ATOM 0 HB THR A 3 81.471 18.448 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 3 81.394 20.717 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 3 79.946 20.016 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 3 79.243 18.386 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 3 78.696 19.678 -5.696 1.00 0.00 H new ATOM 51 N ASN A 4 80.489 15.828 -5.573 1.00 0.00 N ATOM 52 CA ASN A 4 80.053 14.680 -6.327 1.00 0.00 C ATOM 53 C ASN A 4 80.187 13.449 -5.486 1.00 0.00 C ATOM 54 O ASN A 4 81.249 12.840 -5.402 1.00 0.00 O ATOM 55 CB ASN A 4 80.817 14.524 -7.654 1.00 0.00 C ATOM 56 CG ASN A 4 80.679 15.719 -8.580 1.00 0.00 C ATOM 57 OD1 ASN A 4 81.492 16.657 -8.544 1.00 0.00 O ATOM 58 ND2 ASN A 4 79.669 15.705 -9.406 1.00 0.00 N ATOM 0 H ASN A 4 81.498 15.977 -5.550 1.00 0.00 H new ATOM 0 HA ASN A 4 79.006 14.830 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 4 81.873 14.362 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 4 80.457 13.633 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 4 79.527 16.482 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 4 79.022 14.917 -9.407 1.00 0.00 H new ATOM 65 N TRP A 5 79.140 13.116 -4.826 1.00 0.00 N ATOM 66 CA TRP A 5 79.129 11.991 -3.957 1.00 0.00 C ATOM 67 C TRP A 5 78.308 10.877 -4.522 1.00 0.00 C ATOM 68 O TRP A 5 77.507 11.087 -5.450 1.00 0.00 O ATOM 69 CB TRP A 5 78.805 12.348 -2.472 1.00 0.00 C ATOM 70 CG TRP A 5 77.633 13.274 -2.205 1.00 0.00 C ATOM 71 CD1 TRP A 5 77.275 14.392 -2.905 1.00 0.00 C ATOM 72 CD2 TRP A 5 76.732 13.214 -1.088 1.00 0.00 C ATOM 73 NE1 TRP A 5 76.209 14.994 -2.332 1.00 0.00 N ATOM 74 CE2 TRP A 5 75.850 14.303 -1.209 1.00 0.00 C ATOM 75 CE3 TRP A 5 76.572 12.344 -0.004 1.00 0.00 C ATOM 76 CZ2 TRP A 5 74.833 14.545 -0.291 1.00 0.00 C ATOM 77 CZ3 TRP A 5 75.563 12.590 0.902 1.00 0.00 C ATOM 78 CH2 TRP A 5 74.710 13.681 0.757 1.00 0.00 C ATOM 0 H TRP A 5 78.255 13.620 -4.872 1.00 0.00 H new ATOM 0 HA TRP A 5 80.151 11.616 -3.905 1.00 0.00 H new ATOM 0 HB2 TRP A 5 78.624 11.416 -1.936 1.00 0.00 H new ATOM 0 HB3 TRP A 5 79.695 12.800 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 5 77.775 14.746 -3.794 1.00 0.00 H new ATOM 0 HE1 TRP A 5 75.745 15.832 -2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 5 77.228 11.495 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 74.165 15.386 -0.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 75.431 11.923 1.741 1.00 0.00 H new ATOM 0 HH2 TRP A 5 73.934 13.847 1.490 1.00 0.00 H new ATOM 89 N GLN A 6 78.519 9.706 -4.006 1.00 0.00 N ATOM 90 CA GLN A 6 77.920 8.508 -4.532 1.00 0.00 C ATOM 91 C GLN A 6 76.457 8.466 -4.205 1.00 0.00 C ATOM 92 O GLN A 6 76.069 8.482 -3.036 1.00 0.00 O ATOM 93 CB GLN A 6 78.598 7.305 -3.925 1.00 0.00 C ATOM 94 CG GLN A 6 80.092 7.250 -4.168 1.00 0.00 C ATOM 95 CD GLN A 6 80.786 6.278 -3.243 1.00 0.00 C ATOM 96 OE1 GLN A 6 81.785 5.668 -3.603 1.00 0.00 O ATOM 97 NE2 GLN A 6 80.303 6.176 -2.031 1.00 0.00 N ATOM 0 H GLN A 6 79.119 9.548 -3.197 1.00 0.00 H new ATOM 0 HA GLN A 6 78.041 8.500 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 6 78.415 7.302 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 6 78.141 6.401 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.280 6.961 -5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 6 80.517 8.244 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 6 79.468 6.700 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 6 80.761 5.572 -1.349 1.00 0.00 H new ATOM 106 N VAL A 7 75.667 8.416 -5.222 1.00 0.00 N ATOM 107 CA VAL A 7 74.252 8.315 -5.090 1.00 0.00 C ATOM 108 C VAL A 7 73.827 7.027 -5.755 1.00 0.00 C ATOM 109 O VAL A 7 74.280 6.706 -6.862 1.00 0.00 O ATOM 110 CB VAL A 7 73.499 9.556 -5.707 1.00 0.00 C ATOM 111 CG1 VAL A 7 73.866 10.829 -4.966 1.00 0.00 C ATOM 112 CG2 VAL A 7 73.802 9.734 -7.192 1.00 0.00 C ATOM 0 H VAL A 7 75.992 8.445 -6.188 1.00 0.00 H new ATOM 0 HA VAL A 7 73.984 8.309 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 7 72.432 9.360 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 7 73.336 11.673 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 7 73.586 10.733 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 7 74.940 10.997 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 7 73.261 10.601 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 7 74.873 9.885 -7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 7 73.489 8.843 -7.737 1.00 0.00 H new ATOM 122 N CYS A 8 73.059 6.261 -5.078 1.00 0.00 N ATOM 123 CA CYS A 8 72.595 5.022 -5.609 1.00 0.00 C ATOM 124 C CYS A 8 71.187 4.797 -5.162 1.00 0.00 C ATOM 125 O CYS A 8 70.788 5.266 -4.084 1.00 0.00 O ATOM 126 CB CYS A 8 73.507 3.871 -5.157 1.00 0.00 C ATOM 127 SG CYS A 8 73.748 3.768 -3.367 1.00 0.00 S ATOM 0 H CYS A 8 72.729 6.469 -4.136 1.00 0.00 H new ATOM 0 HA CYS A 8 72.621 5.056 -6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 8 73.085 2.930 -5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 8 74.479 3.984 -5.636 1.00 0.00 H new ATOM 0 HG CYS A 8 73.493 4.923 -2.828 1.00 0.00 H new ATOM 133 N SER A 9 70.429 4.149 -5.976 1.00 0.00 N ATOM 134 CA SER A 9 69.098 3.842 -5.633 1.00 0.00 C ATOM 135 C SER A 9 69.047 2.375 -5.276 1.00 0.00 C ATOM 136 O SER A 9 69.874 1.588 -5.730 1.00 0.00 O ATOM 137 CB SER A 9 68.152 4.183 -6.794 1.00 0.00 C ATOM 138 OG SER A 9 66.804 3.932 -6.459 1.00 0.00 O ATOM 0 H SER A 9 70.721 3.820 -6.896 1.00 0.00 H new ATOM 0 HA SER A 9 68.768 4.435 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 9 68.271 5.232 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 9 68.425 3.595 -7.671 1.00 0.00 H new ATOM 0 HG SER A 9 66.230 4.161 -7.219 1.00 0.00 H new ATOM 144 N LEU A 10 68.167 2.025 -4.430 1.00 0.00 N ATOM 145 CA LEU A 10 67.993 0.677 -4.042 1.00 0.00 C ATOM 146 C LEU A 10 66.577 0.298 -4.288 1.00 0.00 C ATOM 147 O LEU A 10 65.659 0.962 -3.794 1.00 0.00 O ATOM 148 CB LEU A 10 68.285 0.505 -2.556 1.00 0.00 C ATOM 149 CG LEU A 10 69.697 0.837 -2.067 1.00 0.00 C ATOM 150 CD1 LEU A 10 69.787 0.647 -0.568 1.00 0.00 C ATOM 151 CD2 LEU A 10 70.726 -0.033 -2.758 1.00 0.00 C ATOM 0 H LEU A 10 67.529 2.677 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 10 68.676 0.050 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 10 67.583 1.128 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 10 68.072 -0.530 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 10 69.905 1.879 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 10 70.796 0.886 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 10 69.074 1.307 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 69.557 -0.389 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 10 71.721 0.222 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 10 70.519 -1.081 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 10 70.680 0.134 -3.834 1.00 0.00 H new ATOM 163 N VAL A 11 66.381 -0.714 -5.070 1.00 0.00 N ATOM 164 CA VAL A 11 65.071 -1.254 -5.230 1.00 0.00 C ATOM 165 C VAL A 11 64.937 -2.306 -4.174 1.00 0.00 C ATOM 166 O VAL A 11 65.520 -3.400 -4.267 1.00 0.00 O ATOM 167 CB VAL A 11 64.813 -1.861 -6.638 1.00 0.00 C ATOM 168 CG1 VAL A 11 63.414 -2.470 -6.721 1.00 0.00 C ATOM 169 CG2 VAL A 11 64.969 -0.803 -7.711 1.00 0.00 C ATOM 0 H VAL A 11 67.111 -1.183 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 11 64.333 -0.458 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 11 65.550 -2.648 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.258 -2.888 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.316 -3.260 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.669 -1.697 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 11 64.785 -1.247 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.253 0.001 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 11 65.981 -0.400 -7.680 1.00 0.00 H new ATOM 179 N VAL A 12 64.262 -1.950 -3.146 1.00 0.00 N ATOM 180 CA VAL A 12 64.086 -2.798 -2.031 1.00 0.00 C ATOM 181 C VAL A 12 62.760 -3.505 -2.140 1.00 0.00 C ATOM 182 O VAL A 12 61.706 -2.869 -2.171 1.00 0.00 O ATOM 183 CB VAL A 12 64.161 -1.985 -0.710 1.00 0.00 C ATOM 184 CG1 VAL A 12 63.917 -2.864 0.499 1.00 0.00 C ATOM 185 CG2 VAL A 12 65.507 -1.280 -0.582 1.00 0.00 C ATOM 0 H VAL A 12 63.807 -1.042 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 12 64.886 -3.539 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 12 63.372 -1.234 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 12 63.977 -2.261 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 12 62.927 -3.314 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 12 64.671 -3.650 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 12 65.536 -0.717 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 12 66.307 -2.020 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 12 65.642 -0.598 -1.421 1.00 0.00 H new ATOM 195 N GLN A 13 62.820 -4.795 -2.275 1.00 0.00 N ATOM 196 CA GLN A 13 61.649 -5.602 -2.256 1.00 0.00 C ATOM 197 C GLN A 13 61.449 -6.030 -0.823 1.00 0.00 C ATOM 198 O GLN A 13 62.356 -6.623 -0.209 1.00 0.00 O ATOM 199 CB GLN A 13 61.806 -6.825 -3.163 1.00 0.00 C ATOM 200 CG GLN A 13 60.548 -7.676 -3.265 1.00 0.00 C ATOM 201 CD GLN A 13 60.724 -8.876 -4.168 1.00 0.00 C ATOM 202 OE1 GLN A 13 61.124 -9.952 -3.718 1.00 0.00 O ATOM 203 NE2 GLN A 13 60.408 -8.721 -5.426 1.00 0.00 N ATOM 0 H GLN A 13 63.688 -5.315 -2.402 1.00 0.00 H new ATOM 0 HA GLN A 13 60.790 -5.044 -2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 13 62.091 -6.492 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 13 62.622 -7.442 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 13 60.263 -8.015 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 13 59.729 -7.062 -3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 13 60.081 -7.815 -5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 13 60.489 -9.506 -6.073 1.00 0.00 H new ATOM 212 N ALA A 14 60.327 -5.700 -0.286 1.00 0.00 N ATOM 213 CA ALA A 14 60.014 -5.984 1.079 1.00 0.00 C ATOM 214 C ALA A 14 58.579 -6.441 1.177 1.00 0.00 C ATOM 215 O ALA A 14 57.862 -6.447 0.161 1.00 0.00 O ATOM 216 CB ALA A 14 60.242 -4.741 1.919 1.00 0.00 C ATOM 0 H ALA A 14 59.584 -5.216 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 14 60.660 -6.778 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.003 -4.957 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.286 -4.436 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 14 59.601 -3.936 1.559 1.00 0.00 H new ATOM 222 N LYS A 15 58.170 -6.881 2.366 1.00 0.00 N ATOM 223 CA LYS A 15 56.780 -7.276 2.582 1.00 0.00 C ATOM 224 C LYS A 15 55.872 -6.096 2.309 1.00 0.00 C ATOM 225 O LYS A 15 56.037 -5.035 2.905 1.00 0.00 O ATOM 226 CB LYS A 15 56.510 -7.814 4.016 1.00 0.00 C ATOM 227 CG LYS A 15 57.125 -9.168 4.348 1.00 0.00 C ATOM 228 CD LYS A 15 58.562 -9.026 4.783 1.00 0.00 C ATOM 229 CE LYS A 15 59.258 -10.360 4.995 1.00 0.00 C ATOM 230 NZ LYS A 15 58.546 -11.261 5.922 1.00 0.00 N ATOM 0 H LYS A 15 58.772 -6.972 3.184 1.00 0.00 H new ATOM 0 HA LYS A 15 56.573 -8.094 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 15 56.882 -7.082 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 15 55.432 -7.882 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 56.549 -9.647 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 15 57.070 -9.819 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 15 59.107 -8.454 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 58.599 -8.453 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 15 59.369 -10.858 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 60.262 -10.179 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 59.110 -12.122 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 58.402 -10.779 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 57.624 -11.518 5.516 1.00 0.00 H new ATOM 244 N SER A 16 54.910 -6.290 1.437 1.00 0.00 N ATOM 245 CA SER A 16 54.003 -5.244 1.035 1.00 0.00 C ATOM 246 C SER A 16 53.128 -4.776 2.215 1.00 0.00 C ATOM 247 O SER A 16 52.714 -3.608 2.296 1.00 0.00 O ATOM 248 CB SER A 16 53.178 -5.724 -0.162 1.00 0.00 C ATOM 249 OG SER A 16 52.672 -7.034 0.061 1.00 0.00 O ATOM 0 H SER A 16 54.735 -7.187 0.984 1.00 0.00 H new ATOM 0 HA SER A 16 54.571 -4.368 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 16 52.351 -5.036 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 16 53.795 -5.717 -1.060 1.00 0.00 H new ATOM 0 HG SER A 16 52.147 -7.319 -0.716 1.00 0.00 H new ATOM 255 N GLU A 17 52.909 -5.680 3.151 1.00 0.00 N ATOM 256 CA GLU A 17 52.154 -5.392 4.364 1.00 0.00 C ATOM 257 C GLU A 17 53.022 -4.645 5.376 1.00 0.00 C ATOM 258 O GLU A 17 52.525 -4.118 6.365 1.00 0.00 O ATOM 259 CB GLU A 17 51.664 -6.698 4.999 1.00 0.00 C ATOM 260 CG GLU A 17 52.793 -7.659 5.353 1.00 0.00 C ATOM 261 CD GLU A 17 52.327 -8.854 6.130 1.00 0.00 C ATOM 262 OE1 GLU A 17 51.862 -9.824 5.516 1.00 0.00 O ATOM 263 OE2 GLU A 17 52.417 -8.837 7.377 1.00 0.00 O ATOM 0 H GLU A 17 53.250 -6.640 3.095 1.00 0.00 H new ATOM 0 HA GLU A 17 51.302 -4.768 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.099 -6.465 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 17 50.978 -7.193 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.277 -7.995 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.546 -7.127 5.934 1.00 0.00 H new ATOM 270 N ARG A 18 54.306 -4.583 5.107 1.00 0.00 N ATOM 271 CA ARG A 18 55.241 -4.038 6.048 1.00 0.00 C ATOM 272 C ARG A 18 56.006 -2.852 5.425 1.00 0.00 C ATOM 273 O ARG A 18 57.056 -2.412 5.924 1.00 0.00 O ATOM 274 CB ARG A 18 56.195 -5.152 6.479 1.00 0.00 C ATOM 275 CG ARG A 18 57.021 -4.780 7.657 1.00 0.00 C ATOM 276 CD ARG A 18 57.927 -5.866 8.114 1.00 0.00 C ATOM 277 NE ARG A 18 58.742 -5.374 9.208 1.00 0.00 N ATOM 278 CZ ARG A 18 59.450 -6.107 10.039 1.00 0.00 C ATOM 279 NH1 ARG A 18 59.468 -7.434 9.933 1.00 0.00 N ATOM 280 NH2 ARG A 18 60.138 -5.504 10.994 1.00 0.00 N ATOM 0 H ARG A 18 54.724 -4.908 4.235 1.00 0.00 H new ATOM 0 HA ARG A 18 54.715 -3.656 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.619 -6.047 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.851 -5.404 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.616 -3.901 7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.362 -4.498 8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 18 57.346 -6.730 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.561 -6.198 7.292 1.00 0.00 H new ATOM 0 HE ARG A 18 58.769 -4.364 9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 18 58.928 -7.894 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 18 60.022 -7.990 10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.113 -4.488 11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.693 -6.055 11.648 1.00 0.00 H new ATOM 294 N ILE A 19 55.448 -2.310 4.368 1.00 0.00 N ATOM 295 CA ILE A 19 56.058 -1.211 3.636 1.00 0.00 C ATOM 296 C ILE A 19 56.205 0.025 4.501 1.00 0.00 C ATOM 297 O ILE A 19 57.291 0.594 4.568 1.00 0.00 O ATOM 298 CB ILE A 19 55.292 -0.904 2.309 1.00 0.00 C ATOM 299 CG1 ILE A 19 55.513 -2.045 1.315 1.00 0.00 C ATOM 300 CG2 ILE A 19 55.679 0.441 1.689 1.00 0.00 C ATOM 301 CD1 ILE A 19 56.967 -2.267 0.926 1.00 0.00 C ATOM 0 H ILE A 19 54.554 -2.616 3.985 1.00 0.00 H new ATOM 0 HA ILE A 19 57.063 -1.528 3.358 1.00 0.00 H new ATOM 0 HB ILE A 19 54.233 -0.828 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 19 55.120 -2.966 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 19 54.935 -1.842 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.112 0.595 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 19 55.455 1.243 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 19 56.745 0.444 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 19 57.032 -3.094 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 19 57.362 -1.362 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 57.550 -2.504 1.816 1.00 0.00 H new ATOM 313 N SER A 20 55.149 0.394 5.203 1.00 0.00 N ATOM 314 CA SER A 20 55.172 1.563 6.056 1.00 0.00 C ATOM 315 C SER A 20 56.239 1.405 7.166 1.00 0.00 C ATOM 316 O SER A 20 56.999 2.336 7.456 1.00 0.00 O ATOM 317 CB SER A 20 53.778 1.778 6.637 1.00 0.00 C ATOM 318 OG SER A 20 52.808 1.789 5.583 1.00 0.00 O ATOM 0 H SER A 20 54.259 -0.105 5.197 1.00 0.00 H new ATOM 0 HA SER A 20 55.447 2.443 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 20 53.545 0.986 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.744 2.720 7.185 1.00 0.00 H new ATOM 0 HG SER A 20 51.915 1.926 5.962 1.00 0.00 H new ATOM 324 N ASP A 21 56.329 0.207 7.727 1.00 0.00 N ATOM 325 CA ASP A 21 57.312 -0.099 8.770 1.00 0.00 C ATOM 326 C ASP A 21 58.741 0.001 8.253 1.00 0.00 C ATOM 327 O ASP A 21 59.539 0.793 8.757 1.00 0.00 O ATOM 328 CB ASP A 21 57.076 -1.496 9.347 1.00 0.00 C ATOM 329 CG ASP A 21 58.198 -1.957 10.266 1.00 0.00 C ATOM 330 OD1 ASP A 21 58.252 -1.529 11.444 1.00 0.00 O ATOM 331 OD2 ASP A 21 59.024 -2.767 9.839 1.00 0.00 O ATOM 0 H ASP A 21 55.729 -0.579 7.477 1.00 0.00 H new ATOM 0 HA ASP A 21 57.180 0.645 9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.136 -1.501 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 21 56.969 -2.208 8.529 1.00 0.00 H new ATOM 336 N ILE A 22 59.041 -0.759 7.225 1.00 0.00 N ATOM 337 CA ILE A 22 60.391 -0.826 6.677 1.00 0.00 C ATOM 338 C ILE A 22 60.824 0.508 6.085 1.00 0.00 C ATOM 339 O ILE A 22 61.967 0.896 6.223 1.00 0.00 O ATOM 340 CB ILE A 22 60.527 -1.985 5.653 1.00 0.00 C ATOM 341 CG1 ILE A 22 60.234 -3.300 6.353 1.00 0.00 C ATOM 342 CG2 ILE A 22 61.928 -2.031 5.044 1.00 0.00 C ATOM 343 CD1 ILE A 22 60.155 -4.477 5.428 1.00 0.00 C ATOM 0 H ILE A 22 58.364 -1.349 6.741 1.00 0.00 H new ATOM 0 HA ILE A 22 61.070 -1.041 7.502 1.00 0.00 H new ATOM 0 HB ILE A 22 59.815 -1.817 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 22 61.010 -3.486 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 22 59.291 -3.211 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 22 61.988 -2.854 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 22 62.133 -1.091 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 22 62.664 -2.181 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 22 59.943 -5.378 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 22 59.360 -4.315 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 22 61.105 -4.594 4.907 1.00 0.00 H new ATOM 355 N SER A 23 59.900 1.235 5.498 1.00 0.00 N ATOM 356 CA SER A 23 60.202 2.541 4.939 1.00 0.00 C ATOM 357 C SER A 23 60.631 3.505 6.074 1.00 0.00 C ATOM 358 O SER A 23 61.504 4.335 5.893 1.00 0.00 O ATOM 359 CB SER A 23 58.966 3.081 4.183 1.00 0.00 C ATOM 360 OG SER A 23 59.258 4.220 3.401 1.00 0.00 O ATOM 0 H SER A 23 58.928 0.945 5.393 1.00 0.00 H new ATOM 0 HA SER A 23 61.026 2.460 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 23 58.568 2.296 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 23 58.186 3.330 4.902 1.00 0.00 H new ATOM 0 HG SER A 23 58.423 4.614 3.072 1.00 0.00 H new ATOM 366 N THR A 24 60.097 3.296 7.268 1.00 0.00 N ATOM 367 CA THR A 24 60.377 4.171 8.386 1.00 0.00 C ATOM 368 C THR A 24 61.711 3.766 9.001 1.00 0.00 C ATOM 369 O THR A 24 62.449 4.587 9.569 1.00 0.00 O ATOM 370 CB THR A 24 59.239 4.089 9.425 1.00 0.00 C ATOM 371 OG1 THR A 24 57.996 4.414 8.778 1.00 0.00 O ATOM 372 CG2 THR A 24 59.464 5.058 10.570 1.00 0.00 C ATOM 0 H THR A 24 59.466 2.524 7.483 1.00 0.00 H new ATOM 0 HA THR A 24 60.439 5.205 8.045 1.00 0.00 H new ATOM 0 HB THR A 24 59.215 3.078 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 24 57.757 3.700 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 24 58.644 4.975 11.284 1.00 0.00 H new ATOM 0 HG22 THR A 24 60.404 4.821 11.068 1.00 0.00 H new ATOM 0 HG23 THR A 24 59.505 6.076 10.182 1.00 0.00 H new ATOM 380 N GLN A 25 62.014 2.504 8.858 1.00 0.00 N ATOM 381 CA GLN A 25 63.240 1.953 9.276 1.00 0.00 C ATOM 382 C GLN A 25 64.386 2.369 8.345 1.00 0.00 C ATOM 383 O GLN A 25 65.423 2.826 8.799 1.00 0.00 O ATOM 384 CB GLN A 25 63.097 0.452 9.342 1.00 0.00 C ATOM 385 CG GLN A 25 62.409 -0.058 10.594 1.00 0.00 C ATOM 386 CD GLN A 25 62.606 -1.541 10.778 1.00 0.00 C ATOM 387 OE1 GLN A 25 63.573 -1.963 11.385 1.00 0.00 O ATOM 388 NE2 GLN A 25 61.697 -2.345 10.311 1.00 0.00 N ATOM 0 H GLN A 25 61.384 1.824 8.432 1.00 0.00 H new ATOM 0 HA GLN A 25 63.492 2.335 10.265 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.536 0.114 8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 25 64.088 0.002 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.799 0.471 11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.343 0.163 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.895 -1.969 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 25 61.786 -3.351 10.450 1.00 0.00 H new ATOM 397 N LEU A 26 64.169 2.248 7.047 1.00 0.00 N ATOM 398 CA LEU A 26 65.170 2.551 6.066 1.00 0.00 C ATOM 399 C LEU A 26 65.452 4.042 5.975 1.00 0.00 C ATOM 400 O LEU A 26 66.579 4.453 5.734 1.00 0.00 O ATOM 401 CB LEU A 26 64.755 2.001 4.705 1.00 0.00 C ATOM 402 CG LEU A 26 64.531 0.488 4.618 1.00 0.00 C ATOM 403 CD1 LEU A 26 64.307 0.055 3.186 1.00 0.00 C ATOM 404 CD2 LEU A 26 65.675 -0.282 5.250 1.00 0.00 C ATOM 0 H LEU A 26 63.283 1.934 6.652 1.00 0.00 H new ATOM 0 HA LEU A 26 66.095 2.069 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 26 63.835 2.500 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 65.520 2.275 3.979 1.00 0.00 H new ATOM 0 HG LEU A 26 63.630 0.256 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 26 64.151 -1.023 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 26 63.429 0.562 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.180 0.314 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 26 65.482 -1.352 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 26 66.604 -0.041 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.762 -0.007 6.301 1.00 0.00 H new ATOM 416 N ASN A 27 64.442 4.848 6.198 1.00 0.00 N ATOM 417 CA ASN A 27 64.571 6.286 6.123 1.00 0.00 C ATOM 418 C ASN A 27 65.159 6.857 7.436 1.00 0.00 C ATOM 419 O ASN A 27 65.262 8.064 7.625 1.00 0.00 O ATOM 420 CB ASN A 27 63.186 6.850 5.825 1.00 0.00 C ATOM 421 CG ASN A 27 63.142 8.311 5.556 1.00 0.00 C ATOM 422 OD1 ASN A 27 64.100 8.902 5.102 1.00 0.00 O ATOM 423 ND2 ASN A 27 62.017 8.882 5.768 1.00 0.00 N ATOM 0 H ASN A 27 63.504 4.526 6.437 1.00 0.00 H new ATOM 0 HA ASN A 27 65.264 6.573 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.776 6.325 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.533 6.633 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.899 9.872 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.238 8.347 6.151 1.00 0.00 H new ATOM 430 N ALA A 28 65.561 5.965 8.325 1.00 0.00 N ATOM 431 CA ALA A 28 66.136 6.343 9.602 1.00 0.00 C ATOM 432 C ALA A 28 67.663 6.193 9.601 1.00 0.00 C ATOM 433 O ALA A 28 68.306 6.285 10.660 1.00 0.00 O ATOM 434 CB ALA A 28 65.532 5.501 10.714 1.00 0.00 C ATOM 0 H ALA A 28 65.497 4.957 8.180 1.00 0.00 H new ATOM 0 HA ALA A 28 65.904 7.394 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 28 65.970 5.792 11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 28 64.454 5.659 10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.739 4.447 10.526 1.00 0.00 H new ATOM 440 N PHE A 29 68.246 5.942 8.437 1.00 0.00 N ATOM 441 CA PHE A 29 69.652 5.805 8.319 1.00 0.00 C ATOM 442 C PHE A 29 70.266 7.075 7.710 1.00 0.00 C ATOM 443 O PHE A 29 69.616 7.754 6.906 1.00 0.00 O ATOM 444 CB PHE A 29 69.960 4.606 7.451 1.00 0.00 C ATOM 445 CG PHE A 29 69.625 3.287 8.053 1.00 0.00 C ATOM 446 CD1 PHE A 29 70.344 2.794 9.124 1.00 0.00 C ATOM 447 CD2 PHE A 29 68.586 2.540 7.544 1.00 0.00 C ATOM 448 CE1 PHE A 29 70.027 1.571 9.681 1.00 0.00 C ATOM 449 CE2 PHE A 29 68.260 1.315 8.093 1.00 0.00 C ATOM 450 CZ PHE A 29 68.983 0.828 9.163 1.00 0.00 C ATOM 0 H PHE A 29 67.738 5.831 7.559 1.00 0.00 H new ATOM 0 HA PHE A 29 70.085 5.660 9.309 1.00 0.00 H new ATOM 0 HB2 PHE A 29 69.416 4.708 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 29 71.022 4.617 7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 29 71.162 3.371 9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 29 68.019 2.917 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.594 1.196 10.520 1.00 0.00 H new ATOM 0 HE2 PHE A 29 67.441 0.740 7.686 1.00 0.00 H new ATOM 0 HZ PHE A 29 68.734 -0.130 9.594 1.00 0.00 H new ATOM 460 N PRO A 30 71.526 7.406 8.060 1.00 0.00 N ATOM 461 CA PRO A 30 72.195 8.616 7.570 1.00 0.00 C ATOM 462 C PRO A 30 72.526 8.527 6.079 1.00 0.00 C ATOM 463 O PRO A 30 73.318 7.674 5.651 1.00 0.00 O ATOM 464 CB PRO A 30 73.497 8.686 8.389 1.00 0.00 C ATOM 465 CG PRO A 30 73.379 7.633 9.443 1.00 0.00 C ATOM 466 CD PRO A 30 72.403 6.621 8.936 1.00 0.00 C ATOM 0 HA PRO A 30 71.560 9.494 7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 30 74.366 8.508 7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 30 73.624 9.672 8.835 1.00 0.00 H new ATOM 0 HG2 PRO A 30 74.347 7.172 9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 30 73.035 8.064 10.383 1.00 0.00 H new ATOM 0 HD2 PRO A 30 72.902 5.819 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 30 71.847 6.156 9.750 1.00 0.00 H new ATOM 474 N GLY A 31 71.894 9.372 5.290 1.00 0.00 N ATOM 475 CA GLY A 31 72.151 9.390 3.864 1.00 0.00 C ATOM 476 C GLY A 31 71.243 8.444 3.119 1.00 0.00 C ATOM 477 O GLY A 31 71.314 8.331 1.899 1.00 0.00 O ATOM 0 H GLY A 31 71.203 10.051 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 31 72.013 10.402 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 31 73.190 9.118 3.679 1.00 0.00 H new ATOM 481 N CYS A 32 70.401 7.774 3.847 1.00 0.00 N ATOM 482 CA CYS A 32 69.507 6.820 3.299 1.00 0.00 C ATOM 483 C CYS A 32 68.080 7.295 3.485 1.00 0.00 C ATOM 484 O CYS A 32 67.591 7.410 4.617 1.00 0.00 O ATOM 485 CB CYS A 32 69.755 5.498 4.001 1.00 0.00 C ATOM 486 SG CYS A 32 68.624 4.161 3.613 1.00 0.00 S ATOM 0 H CYS A 32 70.321 7.883 4.858 1.00 0.00 H new ATOM 0 HA CYS A 32 69.669 6.693 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 32 70.766 5.169 3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 32 69.722 5.671 5.077 1.00 0.00 H new ATOM 0 HG CYS A 32 67.492 4.360 4.221 1.00 0.00 H new ATOM 492 N GLU A 33 67.436 7.608 2.394 1.00 0.00 N ATOM 493 CA GLU A 33 66.075 8.071 2.432 1.00 0.00 C ATOM 494 C GLU A 33 65.241 7.335 1.404 1.00 0.00 C ATOM 495 O GLU A 33 65.715 7.023 0.309 1.00 0.00 O ATOM 496 CB GLU A 33 65.985 9.583 2.190 1.00 0.00 C ATOM 497 CG GLU A 33 64.558 10.104 2.278 1.00 0.00 C ATOM 498 CD GLU A 33 64.426 11.560 2.007 1.00 0.00 C ATOM 499 OE1 GLU A 33 64.665 12.366 2.915 1.00 0.00 O ATOM 500 OE2 GLU A 33 64.027 11.927 0.898 1.00 0.00 O ATOM 0 H GLU A 33 67.837 7.550 1.458 1.00 0.00 H new ATOM 0 HA GLU A 33 65.686 7.866 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 33 66.604 10.102 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 33 66.393 9.815 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.938 9.556 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 33 64.166 9.894 3.273 1.00 0.00 H new ATOM 507 N VAL A 34 64.015 7.063 1.758 1.00 0.00 N ATOM 508 CA VAL A 34 63.088 6.407 0.882 1.00 0.00 C ATOM 509 C VAL A 34 62.417 7.468 0.019 1.00 0.00 C ATOM 510 O VAL A 34 61.919 8.465 0.535 1.00 0.00 O ATOM 511 CB VAL A 34 62.016 5.638 1.689 1.00 0.00 C ATOM 512 CG1 VAL A 34 61.104 4.849 0.755 1.00 0.00 C ATOM 513 CG2 VAL A 34 62.676 4.714 2.698 1.00 0.00 C ATOM 0 H VAL A 34 63.629 7.294 2.673 1.00 0.00 H new ATOM 0 HA VAL A 34 63.622 5.687 0.262 1.00 0.00 H new ATOM 0 HB VAL A 34 61.406 6.361 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 34 60.357 4.315 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 60.605 5.534 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 34 61.697 4.134 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 34 61.909 4.180 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 34 63.309 3.997 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 34 63.285 5.301 3.386 1.00 0.00 H new ATOM 523 N ALA A 35 62.436 7.273 -1.274 1.00 0.00 N ATOM 524 CA ALA A 35 61.863 8.232 -2.189 1.00 0.00 C ATOM 525 C ALA A 35 60.484 7.786 -2.649 1.00 0.00 C ATOM 526 O ALA A 35 59.503 8.515 -2.518 1.00 0.00 O ATOM 527 CB ALA A 35 62.787 8.444 -3.381 1.00 0.00 C ATOM 0 H ALA A 35 62.845 6.453 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 35 61.751 9.181 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 35 62.342 9.169 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 35 63.750 8.817 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 35 62.931 7.498 -3.902 1.00 0.00 H new ATOM 533 N VAL A 36 60.407 6.585 -3.173 1.00 0.00 N ATOM 534 CA VAL A 36 59.162 6.063 -3.696 1.00 0.00 C ATOM 535 C VAL A 36 58.814 4.787 -2.962 1.00 0.00 C ATOM 536 O VAL A 36 59.629 3.869 -2.889 1.00 0.00 O ATOM 537 CB VAL A 36 59.250 5.763 -5.227 1.00 0.00 C ATOM 538 CG1 VAL A 36 57.908 5.287 -5.774 1.00 0.00 C ATOM 539 CG2 VAL A 36 59.740 6.979 -6.005 1.00 0.00 C ATOM 0 H VAL A 36 61.198 5.945 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 36 58.392 6.820 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 36 59.977 4.962 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 36 58.001 5.086 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 36 57.608 4.375 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 36 57.155 6.059 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 36 59.790 6.736 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 36 59.050 7.809 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 36 60.731 7.262 -5.651 1.00 0.00 H new ATOM 549 N SER A 37 57.657 4.752 -2.387 1.00 0.00 N ATOM 550 CA SER A 37 57.196 3.583 -1.701 1.00 0.00 C ATOM 551 C SER A 37 55.984 3.033 -2.458 1.00 0.00 C ATOM 552 O SER A 37 54.905 3.643 -2.440 1.00 0.00 O ATOM 553 CB SER A 37 56.790 3.952 -0.271 1.00 0.00 C ATOM 554 OG SER A 37 57.777 4.790 0.365 1.00 0.00 O ATOM 0 H SER A 37 57.001 5.533 -2.378 1.00 0.00 H new ATOM 0 HA SER A 37 57.985 2.833 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 37 55.830 4.468 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 37 56.653 3.043 0.314 1.00 0.00 H new ATOM 0 HG SER A 37 57.484 5.007 1.275 1.00 0.00 H new ATOM 560 N ASP A 38 56.169 1.943 -3.154 1.00 0.00 N ATOM 561 CA ASP A 38 55.087 1.323 -3.903 1.00 0.00 C ATOM 562 C ASP A 38 54.562 0.189 -3.077 1.00 0.00 C ATOM 563 O ASP A 38 55.133 -0.921 -3.090 1.00 0.00 O ATOM 564 CB ASP A 38 55.526 0.720 -5.257 1.00 0.00 C ATOM 565 CG ASP A 38 56.376 1.612 -6.134 1.00 0.00 C ATOM 566 OD1 ASP A 38 57.611 1.633 -5.967 1.00 0.00 O ATOM 567 OD2 ASP A 38 55.825 2.251 -7.055 1.00 0.00 O ATOM 0 H ASP A 38 57.063 1.456 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 38 54.354 2.103 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 38 56.080 -0.198 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 38 54.632 0.440 -5.815 1.00 0.00 H new ATOM 572 N ALA A 39 53.508 0.446 -2.352 1.00 0.00 N ATOM 573 CA ALA A 39 52.892 -0.556 -1.491 1.00 0.00 C ATOM 574 C ALA A 39 52.448 -1.841 -2.258 1.00 0.00 C ATOM 575 O ALA A 39 52.833 -2.936 -1.860 1.00 0.00 O ATOM 576 CB ALA A 39 51.742 0.046 -0.686 1.00 0.00 C ATOM 0 H ALA A 39 53.043 1.354 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 39 53.664 -0.881 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 39 51.300 -0.723 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 39 52.119 0.857 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 39 50.985 0.434 -1.367 1.00 0.00 H new ATOM 582 N PRO A 40 51.709 -1.730 -3.424 1.00 0.00 N ATOM 583 CA PRO A 40 51.183 -2.907 -4.173 1.00 0.00 C ATOM 584 C PRO A 40 52.276 -3.891 -4.590 1.00 0.00 C ATOM 585 O PRO A 40 52.074 -5.109 -4.585 1.00 0.00 O ATOM 586 CB PRO A 40 50.577 -2.259 -5.442 1.00 0.00 C ATOM 587 CG PRO A 40 51.300 -0.960 -5.533 1.00 0.00 C ATOM 588 CD PRO A 40 51.335 -0.487 -4.131 1.00 0.00 C ATOM 0 HA PRO A 40 50.488 -3.487 -3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 40 50.740 -2.875 -6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 40 49.501 -2.116 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.303 -1.086 -5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 40 50.780 -0.255 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.066 0.308 -3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 40 50.371 -0.100 -3.802 1.00 0.00 H new ATOM 596 N SER A 41 53.424 -3.365 -4.920 1.00 0.00 N ATOM 597 CA SER A 41 54.499 -4.166 -5.421 1.00 0.00 C ATOM 598 C SER A 41 55.486 -4.555 -4.325 1.00 0.00 C ATOM 599 O SER A 41 56.354 -5.407 -4.543 1.00 0.00 O ATOM 600 CB SER A 41 55.196 -3.406 -6.538 1.00 0.00 C ATOM 601 OG SER A 41 54.265 -3.067 -7.562 1.00 0.00 O ATOM 0 H SER A 41 53.637 -2.370 -4.848 1.00 0.00 H new ATOM 0 HA SER A 41 54.088 -5.099 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 41 55.655 -2.501 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 41 55.999 -4.014 -6.954 1.00 0.00 H new ATOM 0 HG SER A 41 54.726 -2.577 -8.274 1.00 0.00 H new ATOM 607 N GLY A 42 55.340 -3.972 -3.140 1.00 0.00 N ATOM 608 CA GLY A 42 56.280 -4.260 -2.079 1.00 0.00 C ATOM 609 C GLY A 42 57.623 -3.605 -2.358 1.00 0.00 C ATOM 610 O GLY A 42 58.662 -4.077 -1.913 1.00 0.00 O ATOM 0 H GLY A 42 54.598 -3.315 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 42 55.885 -3.900 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 42 56.409 -5.338 -1.983 1.00 0.00 H new ATOM 614 N GLN A 43 57.583 -2.533 -3.119 1.00 0.00 N ATOM 615 CA GLN A 43 58.768 -1.851 -3.572 1.00 0.00 C ATOM 616 C GLN A 43 59.046 -0.596 -2.787 1.00 0.00 C ATOM 617 O GLN A 43 58.163 0.213 -2.551 1.00 0.00 O ATOM 618 CB GLN A 43 58.634 -1.502 -5.044 1.00 0.00 C ATOM 619 CG GLN A 43 58.803 -2.661 -5.996 1.00 0.00 C ATOM 620 CD GLN A 43 58.443 -2.304 -7.432 1.00 0.00 C ATOM 621 OE1 GLN A 43 58.032 -3.162 -8.207 1.00 0.00 O ATOM 622 NE2 GLN A 43 58.530 -1.047 -7.777 1.00 0.00 N ATOM 0 H GLN A 43 56.714 -2.108 -3.443 1.00 0.00 H new ATOM 0 HA GLN A 43 59.606 -2.531 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 43 57.652 -1.058 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 43 59.374 -0.740 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 43 59.836 -3.006 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 43 58.178 -3.491 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 43 58.876 -0.358 -7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 43 58.252 -0.755 -8.714 1.00 0.00 H new ATOM 631 N LEU A 44 60.258 -0.465 -2.378 1.00 0.00 N ATOM 632 CA LEU A 44 60.744 0.714 -1.741 1.00 0.00 C ATOM 633 C LEU A 44 61.962 1.191 -2.491 1.00 0.00 C ATOM 634 O LEU A 44 62.934 0.456 -2.622 1.00 0.00 O ATOM 635 CB LEU A 44 61.107 0.423 -0.284 1.00 0.00 C ATOM 636 CG LEU A 44 59.951 0.140 0.661 1.00 0.00 C ATOM 637 CD1 LEU A 44 60.469 -0.392 1.977 1.00 0.00 C ATOM 638 CD2 LEU A 44 59.157 1.404 0.896 1.00 0.00 C ATOM 0 H LEU A 44 60.963 -1.196 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 44 59.972 1.483 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 44 61.780 -0.434 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 44 61.665 1.275 0.105 1.00 0.00 H new ATOM 0 HG LEU A 44 59.304 -0.611 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 44 59.631 -0.590 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 44 61.022 -1.315 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 44 61.129 0.346 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 44 58.330 1.193 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 44 59.803 2.163 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 44 58.764 1.769 -0.053 1.00 0.00 H new ATOM 650 N ILE A 45 61.881 2.364 -3.047 1.00 0.00 N ATOM 651 CA ILE A 45 63.009 2.962 -3.702 1.00 0.00 C ATOM 652 C ILE A 45 63.727 3.795 -2.679 1.00 0.00 C ATOM 653 O ILE A 45 63.167 4.769 -2.144 1.00 0.00 O ATOM 654 CB ILE A 45 62.570 3.857 -4.898 1.00 0.00 C ATOM 655 CG1 ILE A 45 61.921 3.017 -6.008 1.00 0.00 C ATOM 656 CG2 ILE A 45 63.733 4.679 -5.453 1.00 0.00 C ATOM 657 CD1 ILE A 45 62.841 1.988 -6.638 1.00 0.00 C ATOM 0 H ILE A 45 61.034 2.932 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 45 63.655 2.182 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 45 61.826 4.557 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 45 61.051 2.505 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 45 61.558 3.687 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 45 63.383 5.289 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 64.127 5.326 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 45 64.519 4.009 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 45 62.300 1.441 -7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 45 63.699 2.491 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 63.185 1.291 -5.874 1.00 0.00 H new ATOM 669 N VAL A 46 64.931 3.432 -2.402 1.00 0.00 N ATOM 670 CA VAL A 46 65.705 4.109 -1.410 1.00 0.00 C ATOM 671 C VAL A 46 66.919 4.731 -2.052 1.00 0.00 C ATOM 672 O VAL A 46 67.702 4.048 -2.680 1.00 0.00 O ATOM 673 CB VAL A 46 66.137 3.138 -0.275 1.00 0.00 C ATOM 674 CG1 VAL A 46 66.923 3.870 0.785 1.00 0.00 C ATOM 675 CG2 VAL A 46 64.925 2.456 0.350 1.00 0.00 C ATOM 0 H VAL A 46 65.412 2.655 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 46 65.088 4.890 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 46 66.775 2.373 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 46 67.215 3.171 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 46 67.816 4.308 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.307 4.660 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 46 65.254 1.782 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 46 64.259 3.210 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 64.394 1.887 -0.413 1.00 0.00 H new ATOM 685 N VAL A 47 67.054 6.018 -1.912 1.00 0.00 N ATOM 686 CA VAL A 47 68.178 6.719 -2.468 1.00 0.00 C ATOM 687 C VAL A 47 69.206 6.897 -1.376 1.00 0.00 C ATOM 688 O VAL A 47 68.996 7.665 -0.415 1.00 0.00 O ATOM 689 CB VAL A 47 67.780 8.104 -3.059 1.00 0.00 C ATOM 690 CG1 VAL A 47 68.989 8.806 -3.675 1.00 0.00 C ATOM 691 CG2 VAL A 47 66.674 7.948 -4.096 1.00 0.00 C ATOM 0 H VAL A 47 66.392 6.610 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 47 68.582 6.133 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 47 67.407 8.721 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 47 68.682 9.770 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 47 69.750 8.959 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 47 69.399 8.190 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 47 66.410 8.927 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 47 67.022 7.306 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 47 65.798 7.499 -3.628 1.00 0.00 H new ATOM 701 N VAL A 48 70.278 6.171 -1.497 1.00 0.00 N ATOM 702 CA VAL A 48 71.334 6.208 -0.538 1.00 0.00 C ATOM 703 C VAL A 48 72.477 6.980 -1.128 1.00 0.00 C ATOM 704 O VAL A 48 73.053 6.589 -2.165 1.00 0.00 O ATOM 705 CB VAL A 48 71.809 4.787 -0.129 1.00 0.00 C ATOM 706 CG1 VAL A 48 72.915 4.859 0.921 1.00 0.00 C ATOM 707 CG2 VAL A 48 70.649 3.972 0.394 1.00 0.00 C ATOM 0 H VAL A 48 70.442 5.531 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 48 70.964 6.689 0.367 1.00 0.00 H new ATOM 0 HB VAL A 48 72.211 4.300 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 73.229 3.850 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 48 73.765 5.408 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 48 72.542 5.371 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.000 2.979 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.221 4.467 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 48 69.889 3.881 -0.382 1.00 0.00 H new ATOM 717 N GLU A 49 72.767 8.075 -0.520 1.00 0.00 N ATOM 718 CA GLU A 49 73.816 8.921 -0.943 1.00 0.00 C ATOM 719 C GLU A 49 74.848 9.052 0.166 1.00 0.00 C ATOM 720 O GLU A 49 74.527 9.408 1.308 1.00 0.00 O ATOM 721 CB GLU A 49 73.249 10.265 -1.440 1.00 0.00 C ATOM 722 CG GLU A 49 72.379 11.010 -0.443 1.00 0.00 C ATOM 723 CD GLU A 49 71.545 12.093 -1.097 1.00 0.00 C ATOM 724 OE1 GLU A 49 70.460 11.780 -1.628 1.00 0.00 O ATOM 725 OE2 GLU A 49 71.925 13.281 -1.064 1.00 0.00 O ATOM 0 H GLU A 49 72.268 8.412 0.303 1.00 0.00 H new ATOM 0 HA GLU A 49 74.338 8.487 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 49 74.081 10.909 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 49 72.665 10.083 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 49 71.720 10.302 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 49 73.012 11.456 0.324 1.00 0.00 H new ATOM 732 N ALA A 50 76.060 8.699 -0.156 1.00 0.00 N ATOM 733 CA ALA A 50 77.156 8.724 0.771 1.00 0.00 C ATOM 734 C ALA A 50 78.403 9.087 0.015 1.00 0.00 C ATOM 735 O ALA A 50 78.572 8.693 -1.145 1.00 0.00 O ATOM 736 CB ALA A 50 77.319 7.378 1.464 1.00 0.00 C ATOM 0 H ALA A 50 76.319 8.379 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 50 76.962 9.463 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 50 78.156 7.426 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.407 7.137 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.511 6.606 0.719 1.00 0.00 H new ATOM 742 N GLU A 51 79.259 9.812 0.653 1.00 0.00 N ATOM 743 CA GLU A 51 80.442 10.323 0.026 1.00 0.00 C ATOM 744 C GLU A 51 81.487 9.236 -0.178 1.00 0.00 C ATOM 745 O GLU A 51 81.892 8.965 -1.305 1.00 0.00 O ATOM 746 CB GLU A 51 81.010 11.451 0.862 1.00 0.00 C ATOM 747 CG GLU A 51 82.170 12.159 0.226 1.00 0.00 C ATOM 748 CD GLU A 51 82.737 13.203 1.126 1.00 0.00 C ATOM 749 OE1 GLU A 51 82.067 14.231 1.353 1.00 0.00 O ATOM 750 OE2 GLU A 51 83.859 13.010 1.667 1.00 0.00 O ATOM 0 H GLU A 51 79.161 10.072 1.634 1.00 0.00 H new ATOM 0 HA GLU A 51 80.170 10.699 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 51 80.220 12.175 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 81.326 11.052 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 51 82.945 11.435 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 51 81.848 12.619 -0.708 1.00 0.00 H new ATOM 757 N ASP A 52 81.890 8.601 0.896 1.00 0.00 N ATOM 758 CA ASP A 52 82.956 7.613 0.836 1.00 0.00 C ATOM 759 C ASP A 52 82.436 6.271 0.375 1.00 0.00 C ATOM 760 O ASP A 52 81.286 5.903 0.669 1.00 0.00 O ATOM 761 CB ASP A 52 83.671 7.464 2.180 1.00 0.00 C ATOM 762 CG ASP A 52 84.417 8.698 2.617 1.00 0.00 C ATOM 763 OD1 ASP A 52 85.541 8.958 2.118 1.00 0.00 O ATOM 764 OD2 ASP A 52 83.907 9.434 3.491 1.00 0.00 O ATOM 0 H ASP A 52 81.499 8.747 1.827 1.00 0.00 H new ATOM 0 HA ASP A 52 83.679 7.976 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 52 82.937 7.206 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 52 84.372 6.631 2.117 1.00 0.00 H new ATOM 769 N SER A 53 83.277 5.543 -0.329 1.00 0.00 N ATOM 770 CA SER A 53 82.934 4.254 -0.904 1.00 0.00 C ATOM 771 C SER A 53 82.586 3.250 0.194 1.00 0.00 C ATOM 772 O SER A 53 81.521 2.618 0.167 1.00 0.00 O ATOM 773 CB SER A 53 84.108 3.757 -1.765 1.00 0.00 C ATOM 774 OG SER A 53 83.849 2.490 -2.353 1.00 0.00 O ATOM 0 H SER A 53 84.236 5.833 -0.523 1.00 0.00 H new ATOM 0 HA SER A 53 82.053 4.360 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 53 84.312 4.484 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 53 85.005 3.692 -1.149 1.00 0.00 H new ATOM 0 HG SER A 53 84.620 2.215 -2.892 1.00 0.00 H new ATOM 780 N GLU A 54 83.431 3.183 1.192 1.00 0.00 N ATOM 781 CA GLU A 54 83.261 2.267 2.285 1.00 0.00 C ATOM 782 C GLU A 54 82.068 2.657 3.126 1.00 0.00 C ATOM 783 O GLU A 54 81.288 1.805 3.535 1.00 0.00 O ATOM 784 CB GLU A 54 84.534 2.127 3.144 1.00 0.00 C ATOM 785 CG GLU A 54 85.169 3.437 3.621 1.00 0.00 C ATOM 786 CD GLU A 54 85.952 4.159 2.544 1.00 0.00 C ATOM 787 OE1 GLU A 54 85.361 4.901 1.750 1.00 0.00 O ATOM 788 OE2 GLU A 54 87.158 3.964 2.464 1.00 0.00 O ATOM 0 H GLU A 54 84.263 3.769 1.267 1.00 0.00 H new ATOM 0 HA GLU A 54 83.073 1.284 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 54 84.293 1.523 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 54 85.277 1.574 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 54 84.385 4.097 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 54 85.832 3.225 4.460 1.00 0.00 H new ATOM 795 N THR A 55 81.900 3.949 3.328 1.00 0.00 N ATOM 796 CA THR A 55 80.787 4.469 4.082 1.00 0.00 C ATOM 797 C THR A 55 79.458 4.114 3.392 1.00 0.00 C ATOM 798 O THR A 55 78.462 3.805 4.057 1.00 0.00 O ATOM 799 CB THR A 55 80.921 5.989 4.239 1.00 0.00 C ATOM 800 OG1 THR A 55 82.215 6.286 4.788 1.00 0.00 O ATOM 801 CG2 THR A 55 79.854 6.530 5.169 1.00 0.00 C ATOM 0 H THR A 55 82.534 4.664 2.972 1.00 0.00 H new ATOM 0 HA THR A 55 80.792 4.014 5.072 1.00 0.00 H new ATOM 0 HB THR A 55 80.802 6.456 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 55 82.300 7.253 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 55 79.969 7.610 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 55 78.868 6.305 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 55 79.956 6.065 6.150 1.00 0.00 H new ATOM 809 N LEU A 56 79.464 4.117 2.063 1.00 0.00 N ATOM 810 CA LEU A 56 78.297 3.739 1.289 1.00 0.00 C ATOM 811 C LEU A 56 77.949 2.289 1.597 1.00 0.00 C ATOM 812 O LEU A 56 76.820 1.983 1.977 1.00 0.00 O ATOM 813 CB LEU A 56 78.566 3.909 -0.213 1.00 0.00 C ATOM 814 CG LEU A 56 77.386 3.636 -1.152 1.00 0.00 C ATOM 815 CD1 LEU A 56 76.281 4.664 -0.954 1.00 0.00 C ATOM 816 CD2 LEU A 56 77.843 3.607 -2.602 1.00 0.00 C ATOM 0 H LEU A 56 80.273 4.380 1.500 1.00 0.00 H new ATOM 0 HA LEU A 56 77.462 4.385 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 56 78.911 4.929 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.384 3.245 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 56 76.981 2.655 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.456 4.447 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 56 75.925 4.622 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.670 5.661 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.988 3.412 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.284 4.569 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 56 78.585 2.820 -2.734 1.00 0.00 H new ATOM 828 N ILE A 57 78.956 1.425 1.517 1.00 0.00 N ATOM 829 CA ILE A 57 78.792 -0.010 1.764 1.00 0.00 C ATOM 830 C ILE A 57 78.300 -0.264 3.205 1.00 0.00 C ATOM 831 O ILE A 57 77.372 -1.060 3.426 1.00 0.00 O ATOM 832 CB ILE A 57 80.123 -0.785 1.525 1.00 0.00 C ATOM 833 CG1 ILE A 57 80.655 -0.508 0.107 1.00 0.00 C ATOM 834 CG2 ILE A 57 79.909 -2.288 1.725 1.00 0.00 C ATOM 835 CD1 ILE A 57 81.997 -1.153 -0.201 1.00 0.00 C ATOM 0 H ILE A 57 79.910 1.696 1.279 1.00 0.00 H new ATOM 0 HA ILE A 57 78.046 -0.376 1.059 1.00 0.00 H new ATOM 0 HB ILE A 57 80.860 -0.439 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 57 79.922 -0.861 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 57 80.744 0.570 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 57 80.848 -2.815 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 57 79.568 -2.475 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 57 79.159 -2.646 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 57 82.294 -0.905 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 57 82.748 -0.782 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 57 81.912 -2.235 -0.101 1.00 0.00 H new ATOM 847 N GLN A 58 78.893 0.452 4.167 1.00 0.00 N ATOM 848 CA GLN A 58 78.535 0.302 5.584 1.00 0.00 C ATOM 849 C GLN A 58 77.086 0.698 5.842 1.00 0.00 C ATOM 850 O GLN A 58 76.412 0.109 6.683 1.00 0.00 O ATOM 851 CB GLN A 58 79.460 1.113 6.514 1.00 0.00 C ATOM 852 CG GLN A 58 80.936 0.747 6.439 1.00 0.00 C ATOM 853 CD GLN A 58 81.180 -0.746 6.495 1.00 0.00 C ATOM 854 OE1 GLN A 58 81.241 -1.403 5.464 1.00 0.00 O ATOM 855 NE2 GLN A 58 81.294 -1.293 7.671 1.00 0.00 N ATOM 0 H GLN A 58 79.624 1.142 3.991 1.00 0.00 H new ATOM 0 HA GLN A 58 78.663 -0.756 5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 58 79.352 2.171 6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 58 79.121 0.982 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.356 1.144 5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.466 1.227 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 58 81.238 -0.715 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.439 -2.299 7.754 1.00 0.00 H new ATOM 864 N THR A 59 76.616 1.677 5.121 1.00 0.00 N ATOM 865 CA THR A 59 75.259 2.131 5.267 1.00 0.00 C ATOM 866 C THR A 59 74.302 1.139 4.596 1.00 0.00 C ATOM 867 O THR A 59 73.262 0.775 5.160 1.00 0.00 O ATOM 868 CB THR A 59 75.103 3.541 4.661 1.00 0.00 C ATOM 869 OG1 THR A 59 76.114 4.398 5.233 1.00 0.00 O ATOM 870 CG2 THR A 59 73.726 4.125 4.970 1.00 0.00 C ATOM 0 H THR A 59 77.158 2.181 4.419 1.00 0.00 H new ATOM 0 HA THR A 59 75.011 2.186 6.327 1.00 0.00 H new ATOM 0 HB THR A 59 75.212 3.473 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 59 76.981 4.200 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 59 73.645 5.119 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 59 72.954 3.479 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 59 73.594 4.194 6.050 1.00 0.00 H new ATOM 878 N ILE A 60 74.688 0.661 3.422 1.00 0.00 N ATOM 879 CA ILE A 60 73.872 -0.272 2.666 1.00 0.00 C ATOM 880 C ILE A 60 73.664 -1.597 3.421 1.00 0.00 C ATOM 881 O ILE A 60 72.558 -2.141 3.406 1.00 0.00 O ATOM 882 CB ILE A 60 74.429 -0.506 1.221 1.00 0.00 C ATOM 883 CG1 ILE A 60 74.344 0.804 0.414 1.00 0.00 C ATOM 884 CG2 ILE A 60 73.673 -1.630 0.496 1.00 0.00 C ATOM 885 CD1 ILE A 60 74.918 0.717 -0.988 1.00 0.00 C ATOM 0 H ILE A 60 75.569 0.908 2.971 1.00 0.00 H new ATOM 0 HA ILE A 60 72.891 0.189 2.555 1.00 0.00 H new ATOM 0 HB ILE A 60 75.471 -0.815 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 60 73.299 1.108 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 60 74.869 1.587 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 60 74.088 -1.762 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 60 73.776 -2.559 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 60 72.618 -1.368 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 60 74.816 1.683 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 60 75.972 0.446 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 60 74.378 -0.041 -1.556 1.00 0.00 H new ATOM 897 N GLU A 61 74.692 -2.088 4.128 1.00 0.00 N ATOM 898 CA GLU A 61 74.514 -3.332 4.869 1.00 0.00 C ATOM 899 C GLU A 61 73.510 -3.156 6.001 1.00 0.00 C ATOM 900 O GLU A 61 72.694 -4.018 6.222 1.00 0.00 O ATOM 901 CB GLU A 61 75.813 -3.952 5.394 1.00 0.00 C ATOM 902 CG GLU A 61 76.574 -3.123 6.404 1.00 0.00 C ATOM 903 CD GLU A 61 77.511 -3.974 7.212 1.00 0.00 C ATOM 904 OE1 GLU A 61 78.603 -4.304 6.735 1.00 0.00 O ATOM 905 OE2 GLU A 61 77.141 -4.386 8.333 1.00 0.00 O ATOM 0 H GLU A 61 75.615 -1.661 4.199 1.00 0.00 H new ATOM 0 HA GLU A 61 74.122 -4.042 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 61 75.577 -4.916 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 61 76.468 -4.150 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 61 77.138 -2.345 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 61 75.871 -2.620 7.068 1.00 0.00 H new ATOM 912 N SER A 62 73.548 -1.998 6.667 1.00 0.00 N ATOM 913 CA SER A 62 72.628 -1.673 7.746 1.00 0.00 C ATOM 914 C SER A 62 71.185 -1.740 7.259 1.00 0.00 C ATOM 915 O SER A 62 70.300 -2.287 7.929 1.00 0.00 O ATOM 916 CB SER A 62 72.924 -0.277 8.202 1.00 0.00 C ATOM 917 OG SER A 62 74.236 -0.165 8.737 1.00 0.00 O ATOM 0 H SER A 62 74.223 -1.260 6.467 1.00 0.00 H new ATOM 0 HA SER A 62 72.753 -2.387 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 62 72.813 0.411 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 62 72.197 0.021 8.957 1.00 0.00 H new ATOM 0 HG SER A 62 74.880 -0.066 8.005 1.00 0.00 H new ATOM 923 N VAL A 63 70.987 -1.192 6.085 1.00 0.00 N ATOM 924 CA VAL A 63 69.722 -1.189 5.380 1.00 0.00 C ATOM 925 C VAL A 63 69.264 -2.631 5.105 1.00 0.00 C ATOM 926 O VAL A 63 68.108 -2.985 5.310 1.00 0.00 O ATOM 927 CB VAL A 63 69.926 -0.421 4.055 1.00 0.00 C ATOM 928 CG1 VAL A 63 68.788 -0.625 3.055 1.00 0.00 C ATOM 929 CG2 VAL A 63 70.103 1.059 4.339 1.00 0.00 C ATOM 0 H VAL A 63 71.729 -0.717 5.572 1.00 0.00 H new ATOM 0 HA VAL A 63 68.950 -0.706 5.979 1.00 0.00 H new ATOM 0 HB VAL A 63 70.825 -0.829 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 63 68.995 -0.058 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.704 -1.684 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.852 -0.279 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 63 70.246 1.595 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 63 69.216 1.441 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 63 70.974 1.205 4.977 1.00 0.00 H new ATOM 939 N ARG A 64 70.201 -3.463 4.710 1.00 0.00 N ATOM 940 CA ARG A 64 69.923 -4.858 4.386 1.00 0.00 C ATOM 941 C ARG A 64 69.790 -5.719 5.653 1.00 0.00 C ATOM 942 O ARG A 64 69.386 -6.893 5.589 1.00 0.00 O ATOM 943 CB ARG A 64 71.021 -5.415 3.485 1.00 0.00 C ATOM 944 CG ARG A 64 71.164 -4.698 2.147 1.00 0.00 C ATOM 945 CD ARG A 64 72.272 -5.316 1.317 1.00 0.00 C ATOM 946 NE ARG A 64 72.000 -6.728 1.046 1.00 0.00 N ATOM 947 CZ ARG A 64 72.916 -7.691 0.934 1.00 0.00 C ATOM 948 NH1 ARG A 64 74.213 -7.394 0.942 1.00 0.00 N ATOM 949 NH2 ARG A 64 72.523 -8.954 0.773 1.00 0.00 N ATOM 0 H ARG A 64 71.180 -3.199 4.602 1.00 0.00 H new ATOM 0 HA ARG A 64 68.970 -4.894 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 64 71.972 -5.361 4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 64 70.820 -6.470 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 64 70.223 -4.750 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 64 71.377 -3.643 2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 64 72.372 -4.774 0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 64 73.222 -5.219 1.843 1.00 0.00 H new ATOM 0 HE ARG A 64 71.023 -7.000 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 64 74.513 -6.424 1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 64 74.907 -8.137 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 64 71.529 -9.178 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 64 73.217 -9.697 0.686 1.00 0.00 H new ATOM 963 N ASN A 65 70.143 -5.143 6.793 1.00 0.00 N ATOM 964 CA ASN A 65 70.058 -5.828 8.076 1.00 0.00 C ATOM 965 C ASN A 65 68.683 -5.701 8.668 1.00 0.00 C ATOM 966 O ASN A 65 68.389 -6.306 9.714 1.00 0.00 O ATOM 967 CB ASN A 65 71.089 -5.296 9.079 1.00 0.00 C ATOM 968 CG ASN A 65 72.506 -5.679 8.744 1.00 0.00 C ATOM 969 OD1 ASN A 65 72.760 -6.713 8.122 1.00 0.00 O ATOM 970 ND2 ASN A 65 73.446 -4.871 9.167 1.00 0.00 N ATOM 0 H ASN A 65 70.496 -4.188 6.855 1.00 0.00 H new ATOM 0 HA ASN A 65 70.273 -6.879 7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 65 71.015 -4.209 9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 70.845 -5.672 10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 65 74.426 -5.089 8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 65 73.198 -4.024 9.679 1.00 0.00 H new ATOM 977 N VAL A 66 67.843 -4.905 8.036 1.00 0.00 N ATOM 978 CA VAL A 66 66.488 -4.745 8.493 1.00 0.00 C ATOM 979 C VAL A 66 65.702 -5.992 8.197 1.00 0.00 C ATOM 980 O VAL A 66 65.512 -6.380 7.034 1.00 0.00 O ATOM 981 CB VAL A 66 65.787 -3.510 7.896 1.00 0.00 C ATOM 982 CG1 VAL A 66 64.344 -3.460 8.364 1.00 0.00 C ATOM 983 CG2 VAL A 66 66.522 -2.244 8.312 1.00 0.00 C ATOM 0 H VAL A 66 68.080 -4.362 7.206 1.00 0.00 H new ATOM 0 HA VAL A 66 66.531 -4.579 9.569 1.00 0.00 H new ATOM 0 HB VAL A 66 65.801 -3.581 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 66 63.854 -2.584 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 66 63.824 -4.361 8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 66 64.316 -3.398 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 66.020 -1.375 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 66 66.524 -2.165 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 66 67.549 -2.284 7.949 1.00 0.00 H new ATOM 993 N GLU A 67 65.279 -6.631 9.236 1.00 0.00 N ATOM 994 CA GLU A 67 64.566 -7.816 9.124 1.00 0.00 C ATOM 995 C GLU A 67 63.167 -7.550 8.704 1.00 0.00 C ATOM 996 O GLU A 67 62.370 -6.987 9.434 1.00 0.00 O ATOM 997 CB GLU A 67 64.680 -8.608 10.378 1.00 0.00 C ATOM 998 CG GLU A 67 66.116 -8.949 10.641 1.00 0.00 C ATOM 999 CD GLU A 67 66.312 -9.947 11.748 1.00 0.00 C ATOM 1000 OE1 GLU A 67 66.281 -11.167 11.469 1.00 0.00 O ATOM 1001 OE2 GLU A 67 66.540 -9.550 12.911 1.00 0.00 O ATOM 0 H GLU A 67 65.433 -6.322 10.196 1.00 0.00 H new ATOM 0 HA GLU A 67 64.999 -8.432 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 67 64.274 -8.040 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 67 64.090 -9.521 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 67 66.559 -9.344 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 67 66.657 -8.036 10.889 1.00 0.00 H new ATOM 1008 N GLY A 68 62.933 -7.905 7.495 1.00 0.00 N ATOM 1009 CA GLY A 68 61.692 -7.688 6.830 1.00 0.00 C ATOM 1010 C GLY A 68 61.976 -7.444 5.370 1.00 0.00 C ATOM 1011 O GLY A 68 61.075 -7.430 4.535 1.00 0.00 O ATOM 0 H GLY A 68 63.627 -8.375 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.040 -8.553 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.172 -6.834 7.264 1.00 0.00 H new ATOM 1015 N VAL A 69 63.243 -7.248 5.049 1.00 0.00 N ATOM 1016 CA VAL A 69 63.618 -7.046 3.671 1.00 0.00 C ATOM 1017 C VAL A 69 63.705 -8.404 2.948 1.00 0.00 C ATOM 1018 O VAL A 69 64.114 -9.410 3.540 1.00 0.00 O ATOM 1019 CB VAL A 69 64.943 -6.238 3.532 1.00 0.00 C ATOM 1020 CG1 VAL A 69 66.162 -7.017 4.008 1.00 0.00 C ATOM 1021 CG2 VAL A 69 65.121 -5.747 2.120 1.00 0.00 C ATOM 0 H VAL A 69 64.015 -7.225 5.716 1.00 0.00 H new ATOM 0 HA VAL A 69 62.844 -6.444 3.196 1.00 0.00 H new ATOM 0 HB VAL A 69 64.859 -5.373 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 69 67.055 -6.404 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 69 66.040 -7.277 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 66.265 -7.928 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 69 66.052 -5.185 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 69 65.155 -6.598 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 69 64.285 -5.101 1.851 1.00 0.00 H new ATOM 1031 N LEU A 70 63.305 -8.431 1.695 1.00 0.00 N ATOM 1032 CA LEU A 70 63.286 -9.652 0.919 1.00 0.00 C ATOM 1033 C LEU A 70 64.464 -9.685 -0.020 1.00 0.00 C ATOM 1034 O LEU A 70 65.258 -10.633 -0.004 1.00 0.00 O ATOM 1035 CB LEU A 70 61.976 -9.780 0.132 1.00 0.00 C ATOM 1036 CG LEU A 70 60.698 -9.953 0.954 1.00 0.00 C ATOM 1037 CD1 LEU A 70 59.481 -9.931 0.048 1.00 0.00 C ATOM 1038 CD2 LEU A 70 60.746 -11.257 1.727 1.00 0.00 C ATOM 0 H LEU A 70 62.984 -7.608 1.186 1.00 0.00 H new ATOM 0 HA LEU A 70 63.354 -10.496 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 70 61.864 -8.892 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.065 -10.632 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 70 60.624 -9.126 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 58.579 -10.055 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 70 59.438 -8.978 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 70 59.551 -10.744 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 59.831 -11.369 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 60.837 -12.090 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 70 61.604 -11.250 2.399 1.00 0.00 H new ATOM 1050 N ALA A 71 64.596 -8.652 -0.828 1.00 0.00 N ATOM 1051 CA ALA A 71 65.692 -8.556 -1.769 1.00 0.00 C ATOM 1052 C ALA A 71 65.985 -7.109 -2.080 1.00 0.00 C ATOM 1053 O ALA A 71 65.076 -6.324 -2.318 1.00 0.00 O ATOM 1054 CB ALA A 71 65.369 -9.304 -3.056 1.00 0.00 C ATOM 0 H ALA A 71 63.952 -7.862 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 71 66.571 -9.012 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 71 66.207 -9.217 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 71 65.191 -10.356 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 71 64.477 -8.875 -3.512 1.00 0.00 H new ATOM 1060 N VAL A 72 67.230 -6.752 -2.030 1.00 0.00 N ATOM 1061 CA VAL A 72 67.654 -5.419 -2.389 1.00 0.00 C ATOM 1062 C VAL A 72 68.429 -5.481 -3.697 1.00 0.00 C ATOM 1063 O VAL A 72 69.413 -6.229 -3.805 1.00 0.00 O ATOM 1064 CB VAL A 72 68.550 -4.768 -1.291 1.00 0.00 C ATOM 1065 CG1 VAL A 72 68.979 -3.360 -1.689 1.00 0.00 C ATOM 1066 CG2 VAL A 72 67.828 -4.731 0.042 1.00 0.00 C ATOM 0 H VAL A 72 67.988 -7.370 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 72 66.762 -4.802 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 72 69.444 -5.384 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 72 69.602 -2.934 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 69.546 -3.402 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.096 -2.737 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.472 -4.273 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 72 66.913 -4.147 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 72 67.579 -5.747 0.349 1.00 0.00 H new ATOM 1076 N SER A 73 67.966 -4.762 -4.685 1.00 0.00 N ATOM 1077 CA SER A 73 68.655 -4.667 -5.941 1.00 0.00 C ATOM 1078 C SER A 73 69.341 -3.304 -5.954 1.00 0.00 C ATOM 1079 O SER A 73 68.675 -2.261 -5.846 1.00 0.00 O ATOM 1080 CB SER A 73 67.660 -4.809 -7.111 1.00 0.00 C ATOM 1081 OG SER A 73 68.324 -4.998 -8.364 1.00 0.00 O ATOM 0 H SER A 73 67.099 -4.226 -4.640 1.00 0.00 H new ATOM 0 HA SER A 73 69.388 -5.465 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 73 66.997 -5.653 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 73 67.034 -3.918 -7.164 1.00 0.00 H new ATOM 0 HG SER A 73 67.658 -5.085 -9.077 1.00 0.00 H new ATOM 1087 N LEU A 74 70.648 -3.310 -6.034 1.00 0.00 N ATOM 1088 CA LEU A 74 71.422 -2.087 -5.936 1.00 0.00 C ATOM 1089 C LEU A 74 71.481 -1.390 -7.303 1.00 0.00 C ATOM 1090 O LEU A 74 72.174 -1.842 -8.229 1.00 0.00 O ATOM 1091 CB LEU A 74 72.841 -2.415 -5.418 1.00 0.00 C ATOM 1092 CG LEU A 74 73.539 -1.376 -4.510 1.00 0.00 C ATOM 1093 CD1 LEU A 74 74.933 -1.845 -4.134 1.00 0.00 C ATOM 1094 CD2 LEU A 74 73.603 0.001 -5.140 1.00 0.00 C ATOM 0 H LEU A 74 71.207 -4.153 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 74 70.944 -1.407 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 74 72.787 -3.356 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 74 73.481 -2.586 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 74 72.932 -1.290 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 74 75.407 -1.100 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 74 74.866 -2.792 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 74 75.528 -1.980 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 74 74.103 0.690 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 74 74.160 -0.052 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 74 72.592 0.357 -5.339 1.00 0.00 H new ATOM 1106 N VAL A 75 70.769 -0.298 -7.422 1.00 0.00 N ATOM 1107 CA VAL A 75 70.735 0.460 -8.641 1.00 0.00 C ATOM 1108 C VAL A 75 71.926 1.404 -8.670 1.00 0.00 C ATOM 1109 O VAL A 75 71.889 2.548 -8.186 1.00 0.00 O ATOM 1110 CB VAL A 75 69.415 1.231 -8.830 1.00 0.00 C ATOM 1111 CG1 VAL A 75 69.382 1.932 -10.178 1.00 0.00 C ATOM 1112 CG2 VAL A 75 68.229 0.301 -8.696 1.00 0.00 C ATOM 0 H VAL A 75 70.196 0.089 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 75 70.794 -0.240 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 75 69.355 1.988 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 75 68.440 2.469 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 75 70.211 2.637 -10.242 1.00 0.00 H new ATOM 0 HG13 VAL A 75 69.472 1.193 -10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 75 67.307 0.866 -8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 75 68.292 -0.480 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 75 68.233 -0.153 -7.705 1.00 0.00 H new ATOM 1122 N TYR A 76 72.986 0.845 -9.127 1.00 0.00 N ATOM 1123 CA TYR A 76 74.276 1.469 -9.289 1.00 0.00 C ATOM 1124 C TYR A 76 74.973 0.575 -10.271 1.00 0.00 C ATOM 1125 O TYR A 76 75.657 1.028 -11.187 1.00 0.00 O ATOM 1126 CB TYR A 76 75.026 1.477 -7.951 1.00 0.00 C ATOM 1127 CG TYR A 76 76.316 2.269 -7.914 1.00 0.00 C ATOM 1128 CD1 TYR A 76 76.296 3.640 -7.684 1.00 0.00 C ATOM 1129 CD2 TYR A 76 77.549 1.647 -8.070 1.00 0.00 C ATOM 1130 CE1 TYR A 76 77.464 4.367 -7.602 1.00 0.00 C ATOM 1131 CE2 TYR A 76 78.725 2.371 -7.997 1.00 0.00 C ATOM 1132 CZ TYR A 76 78.675 3.731 -7.763 1.00 0.00 C ATOM 1133 OH TYR A 76 79.843 4.455 -7.669 1.00 0.00 O ATOM 0 H TYR A 76 72.990 -0.131 -9.423 1.00 0.00 H new ATOM 0 HA TYR A 76 74.216 2.505 -9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 76 74.358 1.873 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 76 75.249 0.446 -7.677 1.00 0.00 H new ATOM 0 HD1 TYR A 76 75.348 4.144 -7.567 1.00 0.00 H new ATOM 0 HD2 TYR A 76 77.589 0.583 -8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 76 77.430 5.430 -7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 76 79.677 1.876 -8.122 1.00 0.00 H new ATOM 0 HH TYR A 76 80.609 3.859 -7.806 1.00 0.00 H new ATOM 1143 N HIS A 77 74.730 -0.730 -10.062 1.00 0.00 N ATOM 1144 CA HIS A 77 75.119 -1.805 -10.960 1.00 0.00 C ATOM 1145 C HIS A 77 76.584 -2.140 -10.903 1.00 0.00 C ATOM 1146 O HIS A 77 77.419 -1.358 -10.423 1.00 0.00 O ATOM 1147 CB HIS A 77 74.632 -1.567 -12.415 1.00 0.00 C ATOM 1148 CG HIS A 77 73.131 -1.599 -12.575 1.00 0.00 C ATOM 1149 ND1 HIS A 77 72.488 -1.643 -13.784 1.00 0.00 N ATOM 1150 CD2 HIS A 77 72.149 -1.581 -11.635 1.00 0.00 C ATOM 1151 CE1 HIS A 77 71.171 -1.644 -13.556 1.00 0.00 C ATOM 1152 NE2 HIS A 77 70.913 -1.610 -12.256 1.00 0.00 N ATOM 0 H HIS A 77 74.240 -1.066 -9.233 1.00 0.00 H new ATOM 0 HA HIS A 77 74.601 -2.689 -10.589 1.00 0.00 H new ATOM 0 HB2 HIS A 77 75.003 -0.601 -12.757 1.00 0.00 H new ATOM 0 HB3 HIS A 77 75.072 -2.325 -13.063 1.00 0.00 H new ATOM 0 HD2 HIS A 77 72.309 -1.549 -10.567 1.00 0.00 H new ATOM 0 HE1 HIS A 77 70.417 -1.669 -14.329 1.00 0.00 H new ATOM 0 HE2 HIS A 77 69.997 -1.606 -11.808 1.00 0.00 H new ATOM 1160 N GLN A 78 76.889 -3.323 -11.345 1.00 0.00 N ATOM 1161 CA GLN A 78 78.237 -3.783 -11.390 1.00 0.00 C ATOM 1162 C GLN A 78 78.576 -4.152 -12.823 1.00 0.00 C ATOM 1163 O GLN A 78 79.603 -3.730 -13.371 1.00 0.00 O ATOM 1164 CB GLN A 78 78.429 -4.986 -10.460 1.00 0.00 C ATOM 1165 CG GLN A 78 79.885 -5.330 -10.216 1.00 0.00 C ATOM 1166 CD GLN A 78 80.620 -4.199 -9.524 1.00 0.00 C ATOM 1167 OE1 GLN A 78 81.175 -3.305 -10.171 1.00 0.00 O ATOM 1168 NE2 GLN A 78 80.629 -4.217 -8.220 1.00 0.00 N ATOM 0 H GLN A 78 76.203 -3.997 -11.685 1.00 0.00 H new ATOM 0 HA GLN A 78 78.906 -2.993 -11.048 1.00 0.00 H new ATOM 0 HB2 GLN A 78 77.947 -4.778 -9.505 1.00 0.00 H new ATOM 0 HB3 GLN A 78 77.925 -5.852 -10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 78 79.949 -6.232 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 78 80.371 -5.552 -11.166 1.00 0.00 H new ATOM 0 HE21 GLN A 78 80.160 -4.971 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 78 81.105 -3.477 -7.703 1.00 0.00 H new ATOM 1177 N GLN A 79 77.691 -4.904 -13.459 1.00 0.00 N ATOM 1178 CA GLN A 79 77.911 -5.287 -14.822 1.00 0.00 C ATOM 1179 C GLN A 79 77.429 -4.222 -15.774 1.00 0.00 C ATOM 1180 O GLN A 79 76.251 -4.128 -16.115 1.00 0.00 O ATOM 1181 CB GLN A 79 77.376 -6.690 -15.172 1.00 0.00 C ATOM 1182 CG GLN A 79 75.938 -6.968 -14.776 1.00 0.00 C ATOM 1183 CD GLN A 79 75.452 -8.333 -15.227 1.00 0.00 C ATOM 1184 OE1 GLN A 79 74.634 -8.965 -14.550 1.00 0.00 O ATOM 1185 NE2 GLN A 79 75.898 -8.780 -16.378 1.00 0.00 N ATOM 0 H GLN A 79 76.825 -5.252 -13.048 1.00 0.00 H new ATOM 0 HA GLN A 79 78.991 -5.371 -14.944 1.00 0.00 H new ATOM 0 HB2 GLN A 79 77.471 -6.836 -16.248 1.00 0.00 H new ATOM 0 HB3 GLN A 79 78.015 -7.432 -14.692 1.00 0.00 H new ATOM 0 HG2 GLN A 79 75.845 -6.895 -13.692 1.00 0.00 H new ATOM 0 HG3 GLN A 79 75.294 -6.200 -15.204 1.00 0.00 H new ATOM 0 HE21 GLN A 79 76.573 -8.232 -16.911 1.00 0.00 H new ATOM 0 HE22 GLN A 79 75.569 -9.675 -16.739 1.00 0.00 H new ATOM 1194 N GLU A 80 78.336 -3.359 -16.090 1.00 0.00 N ATOM 1195 CA GLU A 80 78.122 -2.322 -17.052 1.00 0.00 C ATOM 1196 C GLU A 80 79.300 -2.375 -18.008 1.00 0.00 C ATOM 1197 O GLU A 80 79.142 -2.574 -19.209 1.00 0.00 O ATOM 1198 CB GLU A 80 78.044 -0.963 -16.335 1.00 0.00 C ATOM 1199 CG GLU A 80 77.657 0.209 -17.223 1.00 0.00 C ATOM 1200 CD GLU A 80 76.290 0.043 -17.850 1.00 0.00 C ATOM 1201 OE1 GLU A 80 75.270 0.091 -17.127 1.00 0.00 O ATOM 1202 OE2 GLU A 80 76.207 -0.107 -19.067 1.00 0.00 O ATOM 0 H GLU A 80 79.269 -3.352 -15.679 1.00 0.00 H new ATOM 0 HA GLU A 80 77.187 -2.454 -17.596 1.00 0.00 H new ATOM 0 HB2 GLU A 80 77.321 -1.038 -15.523 1.00 0.00 H new ATOM 0 HB3 GLU A 80 79.012 -0.752 -15.882 1.00 0.00 H new ATOM 0 HG2 GLU A 80 77.673 1.126 -16.634 1.00 0.00 H new ATOM 0 HG3 GLU A 80 78.402 0.324 -18.011 1.00 0.00 H new ATOM 1209 N GLU A 81 80.498 -2.298 -17.433 1.00 0.00 N ATOM 1210 CA GLU A 81 81.748 -2.346 -18.191 1.00 0.00 C ATOM 1211 C GLU A 81 81.955 -3.688 -18.909 1.00 0.00 C ATOM 1212 O GLU A 81 82.526 -3.742 -19.985 1.00 0.00 O ATOM 1213 CB GLU A 81 82.939 -2.056 -17.282 1.00 0.00 C ATOM 1214 CG GLU A 81 83.058 -2.987 -16.081 1.00 0.00 C ATOM 1215 CD GLU A 81 84.364 -2.819 -15.363 1.00 0.00 C ATOM 1216 OE1 GLU A 81 85.398 -3.276 -15.893 1.00 0.00 O ATOM 1217 OE2 GLU A 81 84.392 -2.253 -14.259 1.00 0.00 O ATOM 0 H GLU A 81 80.631 -2.200 -16.426 1.00 0.00 H new ATOM 0 HA GLU A 81 81.676 -1.574 -18.957 1.00 0.00 H new ATOM 0 HB2 GLU A 81 83.854 -2.124 -17.870 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.865 -1.029 -16.924 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.238 -2.793 -15.390 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.958 -4.020 -16.413 1.00 0.00 H new ATOM 1224 N GLN A 82 81.476 -4.760 -18.306 1.00 0.00 N ATOM 1225 CA GLN A 82 81.636 -6.091 -18.888 1.00 0.00 C ATOM 1226 C GLN A 82 80.437 -6.444 -19.758 1.00 0.00 C ATOM 1227 O GLN A 82 80.381 -7.515 -20.366 1.00 0.00 O ATOM 1228 CB GLN A 82 81.834 -7.165 -17.800 1.00 0.00 C ATOM 1229 CG GLN A 82 80.692 -7.256 -16.787 1.00 0.00 C ATOM 1230 CD GLN A 82 80.814 -8.435 -15.823 1.00 0.00 C ATOM 1231 OE1 GLN A 82 79.807 -8.970 -15.355 1.00 0.00 O ATOM 1232 NE2 GLN A 82 82.012 -8.849 -15.526 1.00 0.00 N ATOM 0 H GLN A 82 80.975 -4.742 -17.418 1.00 0.00 H new ATOM 0 HA GLN A 82 82.532 -6.070 -19.509 1.00 0.00 H new ATOM 0 HB2 GLN A 82 81.954 -8.135 -18.282 1.00 0.00 H new ATOM 0 HB3 GLN A 82 82.761 -6.957 -17.266 1.00 0.00 H new ATOM 0 HG2 GLN A 82 80.655 -6.331 -16.212 1.00 0.00 H new ATOM 0 HG3 GLN A 82 79.747 -7.335 -17.325 1.00 0.00 H new ATOM 0 HE21 GLN A 82 82.826 -8.386 -15.929 1.00 0.00 H new ATOM 0 HE22 GLN A 82 82.136 -9.637 -14.890 1.00 0.00 H new ATOM 1241 N GLY A 83 79.503 -5.542 -19.833 1.00 0.00 N ATOM 1242 CA GLY A 83 78.312 -5.791 -20.571 1.00 0.00 C ATOM 1243 C GLY A 83 77.103 -5.390 -19.786 1.00 0.00 C ATOM 1244 O GLY A 83 76.936 -5.814 -18.643 1.00 0.00 O ATOM 0 H GLY A 83 79.549 -4.625 -19.388 1.00 0.00 H new ATOM 0 HA2 GLY A 83 78.340 -5.239 -21.511 1.00 0.00 H new ATOM 0 HA3 GLY A 83 78.251 -6.849 -20.825 1.00 0.00 H new ATOM 1248 N GLU A 84 76.292 -4.558 -20.382 1.00 0.00 N ATOM 1249 CA GLU A 84 75.072 -4.066 -19.765 1.00 0.00 C ATOM 1250 C GLU A 84 73.958 -5.094 -19.886 1.00 0.00 C ATOM 1251 O GLU A 84 72.974 -5.064 -19.142 1.00 0.00 O ATOM 1252 CB GLU A 84 74.667 -2.750 -20.424 1.00 0.00 C ATOM 1253 CG GLU A 84 74.534 -2.839 -21.941 1.00 0.00 C ATOM 1254 CD GLU A 84 74.288 -1.509 -22.572 1.00 0.00 C ATOM 1255 OE1 GLU A 84 75.254 -0.733 -22.741 1.00 0.00 O ATOM 1256 OE2 GLU A 84 73.128 -1.195 -22.898 1.00 0.00 O ATOM 0 H GLU A 84 76.454 -4.194 -21.321 1.00 0.00 H new ATOM 0 HA GLU A 84 75.251 -3.893 -18.704 1.00 0.00 H new ATOM 0 HB2 GLU A 84 73.717 -2.421 -20.004 1.00 0.00 H new ATOM 0 HB3 GLU A 84 75.406 -1.988 -20.177 1.00 0.00 H new ATOM 0 HG2 GLU A 84 75.443 -3.273 -22.357 1.00 0.00 H new ATOM 0 HG3 GLU A 84 73.715 -3.514 -22.192 1.00 0.00 H new ATOM 1263 N GLU A 85 74.109 -5.993 -20.829 1.00 0.00 N ATOM 1264 CA GLU A 85 73.142 -7.025 -21.033 1.00 0.00 C ATOM 1265 C GLU A 85 73.404 -8.174 -20.099 1.00 0.00 C ATOM 1266 O GLU A 85 74.555 -8.585 -19.897 1.00 0.00 O ATOM 1267 CB GLU A 85 73.131 -7.505 -22.487 1.00 0.00 C ATOM 1268 CG GLU A 85 72.675 -6.448 -23.480 1.00 0.00 C ATOM 1269 CD GLU A 85 71.278 -5.955 -23.178 1.00 0.00 C ATOM 1270 OE1 GLU A 85 70.304 -6.636 -23.517 1.00 0.00 O ATOM 1271 OE2 GLU A 85 71.129 -4.888 -22.571 1.00 0.00 O ATOM 0 H GLU A 85 74.903 -6.023 -21.469 1.00 0.00 H new ATOM 0 HA GLU A 85 72.157 -6.610 -20.816 1.00 0.00 H new ATOM 0 HB2 GLU A 85 74.134 -7.836 -22.758 1.00 0.00 H new ATOM 0 HB3 GLU A 85 72.476 -8.373 -22.568 1.00 0.00 H new ATOM 0 HG2 GLU A 85 73.369 -5.608 -23.460 1.00 0.00 H new ATOM 0 HG3 GLU A 85 72.704 -6.861 -24.488 1.00 0.00 H new ATOM 1278 N THR A 86 72.357 -8.674 -19.527 1.00 0.00 N ATOM 1279 CA THR A 86 72.415 -9.772 -18.648 1.00 0.00 C ATOM 1280 C THR A 86 72.249 -11.036 -19.475 1.00 0.00 C ATOM 1281 O THR A 86 71.245 -11.205 -20.175 1.00 0.00 O ATOM 1282 CB THR A 86 71.326 -9.633 -17.563 1.00 0.00 C ATOM 1283 OG1 THR A 86 70.141 -9.048 -18.146 1.00 0.00 O ATOM 1284 CG2 THR A 86 71.807 -8.747 -16.423 1.00 0.00 C ATOM 0 H THR A 86 71.415 -8.311 -19.670 1.00 0.00 H new ATOM 0 HA THR A 86 73.372 -9.815 -18.127 1.00 0.00 H new ATOM 0 HB THR A 86 71.104 -10.624 -17.168 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.448 -8.960 -17.459 1.00 0.00 H new ATOM 0 HG21 THR A 86 71.023 -8.664 -15.671 1.00 0.00 H new ATOM 0 HG22 THR A 86 72.697 -9.186 -15.972 1.00 0.00 H new ATOM 0 HG23 THR A 86 72.046 -7.756 -16.809 1.00 0.00 H new ATOM 1292 N PRO A 87 73.252 -11.893 -19.488 1.00 0.00 N ATOM 1293 CA PRO A 87 73.245 -13.078 -20.312 1.00 0.00 C ATOM 1294 C PRO A 87 72.525 -14.256 -19.653 1.00 0.00 C ATOM 1295 O PRO A 87 71.756 -14.076 -18.691 1.00 0.00 O ATOM 1296 CB PRO A 87 74.734 -13.321 -20.501 1.00 0.00 C ATOM 1297 CG PRO A 87 75.339 -12.925 -19.206 1.00 0.00 C ATOM 1298 CD PRO A 87 74.500 -11.784 -18.697 1.00 0.00 C ATOM 0 HA PRO A 87 72.698 -12.962 -21.247 1.00 0.00 H new ATOM 0 HB2 PRO A 87 74.940 -14.366 -20.733 1.00 0.00 H new ATOM 0 HB3 PRO A 87 75.132 -12.727 -21.324 1.00 0.00 H new ATOM 0 HG2 PRO A 87 75.337 -13.757 -18.502 1.00 0.00 H new ATOM 0 HG3 PRO A 87 76.377 -12.620 -19.336 1.00 0.00 H new ATOM 0 HD2 PRO A 87 74.307 -11.873 -17.628 1.00 0.00 H new ATOM 0 HD3 PRO A 87 74.991 -10.824 -18.853 1.00 0.00 H new ATOM 1306 N ARG A 88 72.734 -15.437 -20.179 1.00 0.00 N ATOM 1307 CA ARG A 88 72.084 -16.625 -19.673 1.00 0.00 C ATOM 1308 C ARG A 88 72.690 -17.070 -18.358 1.00 0.00 C ATOM 1309 O ARG A 88 73.769 -17.683 -18.317 1.00 0.00 O ATOM 1310 CB ARG A 88 72.127 -17.745 -20.701 1.00 0.00 C ATOM 1311 CG ARG A 88 71.330 -17.437 -21.954 1.00 0.00 C ATOM 1312 CD ARG A 88 71.532 -18.495 -23.013 1.00 0.00 C ATOM 1313 NE ARG A 88 72.928 -18.543 -23.470 1.00 0.00 N ATOM 1314 CZ ARG A 88 73.321 -18.783 -24.723 1.00 0.00 C ATOM 1315 NH1 ARG A 88 72.424 -18.970 -25.692 1.00 0.00 N ATOM 1316 NH2 ARG A 88 74.611 -18.821 -25.003 1.00 0.00 N ATOM 0 H ARG A 88 73.358 -15.604 -20.968 1.00 0.00 H new ATOM 0 HA ARG A 88 71.039 -16.377 -19.485 1.00 0.00 H new ATOM 0 HB2 ARG A 88 73.164 -17.937 -20.976 1.00 0.00 H new ATOM 0 HB3 ARG A 88 71.742 -18.659 -20.249 1.00 0.00 H new ATOM 0 HG2 ARG A 88 70.271 -17.368 -21.705 1.00 0.00 H new ATOM 0 HG3 ARG A 88 71.629 -16.465 -22.347 1.00 0.00 H new ATOM 0 HD2 ARG A 88 71.245 -19.468 -22.615 1.00 0.00 H new ATOM 0 HD3 ARG A 88 70.878 -18.292 -23.861 1.00 0.00 H new ATOM 0 HE ARG A 88 73.655 -18.380 -22.774 1.00 0.00 H new ATOM 0 HH11 ARG A 88 71.427 -18.930 -25.479 1.00 0.00 H new ATOM 0 HH12 ARG A 88 72.735 -19.153 -26.646 1.00 0.00 H new ATOM 0 HH21 ARG A 88 75.298 -18.668 -24.265 1.00 0.00 H new ATOM 0 HH22 ARG A 88 74.921 -19.004 -25.958 1.00 0.00 H new ATOM 1330 N SER A 89 72.037 -16.698 -17.301 1.00 0.00 N ATOM 1331 CA SER A 89 72.419 -17.073 -15.979 1.00 0.00 C ATOM 1332 C SER A 89 72.097 -18.548 -15.760 1.00 0.00 C ATOM 1333 O SER A 89 70.969 -18.990 -16.035 1.00 0.00 O ATOM 1334 CB SER A 89 71.681 -16.180 -14.992 1.00 0.00 C ATOM 1335 OG SER A 89 71.918 -14.810 -15.315 1.00 0.00 O ATOM 0 H SER A 89 71.204 -16.111 -17.337 1.00 0.00 H new ATOM 0 HA SER A 89 73.491 -16.943 -15.829 1.00 0.00 H new ATOM 0 HB2 SER A 89 70.612 -16.392 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 89 72.017 -16.388 -13.976 1.00 0.00 H new ATOM 0 HG SER A 89 71.441 -14.237 -14.679 1.00 0.00 H new ATOM 1341 N HIS A 90 73.105 -19.294 -15.294 1.00 0.00 N ATOM 1342 CA HIS A 90 73.055 -20.747 -15.082 1.00 0.00 C ATOM 1343 C HIS A 90 73.093 -21.506 -16.398 1.00 0.00 C ATOM 1344 O HIS A 90 72.088 -21.594 -17.126 1.00 0.00 O ATOM 1345 CB HIS A 90 71.850 -21.219 -14.228 1.00 0.00 C ATOM 1346 CG HIS A 90 71.838 -20.724 -12.815 1.00 0.00 C ATOM 1347 ND1 HIS A 90 70.920 -19.819 -12.325 1.00 0.00 N ATOM 1348 CD2 HIS A 90 72.623 -21.061 -11.770 1.00 0.00 C ATOM 1349 CE1 HIS A 90 71.164 -19.636 -11.031 1.00 0.00 C ATOM 1350 NE2 HIS A 90 72.194 -20.369 -10.637 1.00 0.00 N ATOM 0 H HIS A 90 74.008 -18.891 -15.046 1.00 0.00 H new ATOM 0 HA HIS A 90 73.952 -20.978 -14.508 1.00 0.00 H new ATOM 0 HB2 HIS A 90 70.930 -20.897 -14.717 1.00 0.00 H new ATOM 0 HB3 HIS A 90 71.839 -22.309 -14.215 1.00 0.00 H new ATOM 0 HD2 HIS A 90 73.450 -21.755 -11.805 1.00 0.00 H new ATOM 0 HE1 HIS A 90 70.598 -18.978 -10.388 1.00 0.00 H new ATOM 0 HE2 HIS A 90 72.592 -20.418 -9.699 1.00 0.00 H new ATOM 1358 N HIS A 91 74.241 -22.046 -16.724 1.00 0.00 N ATOM 1359 CA HIS A 91 74.370 -22.855 -17.913 1.00 0.00 C ATOM 1360 C HIS A 91 73.857 -24.253 -17.573 1.00 0.00 C ATOM 1361 O HIS A 91 74.605 -25.150 -17.189 1.00 0.00 O ATOM 1362 CB HIS A 91 75.824 -22.871 -18.433 1.00 0.00 C ATOM 1363 CG HIS A 91 76.016 -23.557 -19.761 1.00 0.00 C ATOM 1364 ND1 HIS A 91 76.932 -24.557 -19.980 1.00 0.00 N ATOM 1365 CD2 HIS A 91 75.422 -23.328 -20.962 1.00 0.00 C ATOM 1366 CE1 HIS A 91 76.881 -24.897 -21.264 1.00 0.00 C ATOM 1367 NE2 HIS A 91 75.976 -24.181 -21.913 1.00 0.00 N ATOM 0 H HIS A 91 75.100 -21.941 -16.184 1.00 0.00 H new ATOM 0 HA HIS A 91 73.778 -22.436 -18.727 1.00 0.00 H new ATOM 0 HB2 HIS A 91 76.175 -21.843 -18.518 1.00 0.00 H new ATOM 0 HB3 HIS A 91 76.454 -23.363 -17.692 1.00 0.00 H new ATOM 0 HD2 HIS A 91 74.645 -22.601 -21.149 1.00 0.00 H new ATOM 0 HE1 HIS A 91 77.498 -25.658 -21.719 1.00 0.00 H new ATOM 0 HE2 HIS A 91 75.735 -24.242 -22.902 1.00 0.00 H new ATOM 1375 N HIS A 92 72.555 -24.362 -17.609 1.00 0.00 N ATOM 1376 CA HIS A 92 71.835 -25.555 -17.226 1.00 0.00 C ATOM 1377 C HIS A 92 71.441 -26.333 -18.478 1.00 0.00 C ATOM 1378 O HIS A 92 71.107 -27.524 -18.429 1.00 0.00 O ATOM 1379 CB HIS A 92 70.587 -25.089 -16.435 1.00 0.00 C ATOM 1380 CG HIS A 92 69.756 -26.155 -15.782 1.00 0.00 C ATOM 1381 ND1 HIS A 92 68.420 -26.363 -16.058 1.00 0.00 N ATOM 1382 CD2 HIS A 92 70.069 -27.009 -14.784 1.00 0.00 C ATOM 1383 CE1 HIS A 92 67.971 -27.308 -15.230 1.00 0.00 C ATOM 1384 NE2 HIS A 92 68.939 -27.739 -14.433 1.00 0.00 N ATOM 0 H HIS A 92 71.946 -23.603 -17.914 1.00 0.00 H new ATOM 0 HA HIS A 92 72.442 -26.217 -16.609 1.00 0.00 H new ATOM 0 HB2 HIS A 92 70.916 -24.395 -15.662 1.00 0.00 H new ATOM 0 HB3 HIS A 92 69.945 -24.528 -17.115 1.00 0.00 H new ATOM 0 HD1 HIS A 92 67.872 -25.879 -16.770 1.00 0.00 H new ATOM 0 HD2 HIS A 92 71.044 -27.109 -14.330 1.00 0.00 H new ATOM 0 HE1 HIS A 92 66.955 -27.673 -15.211 1.00 0.00 H new ATOM 1392 N HIS A 93 71.508 -25.659 -19.605 1.00 0.00 N ATOM 1393 CA HIS A 93 71.108 -26.238 -20.861 1.00 0.00 C ATOM 1394 C HIS A 93 72.223 -26.118 -21.877 1.00 0.00 C ATOM 1395 O HIS A 93 72.424 -25.050 -22.470 1.00 0.00 O ATOM 1396 CB HIS A 93 69.821 -25.572 -21.401 1.00 0.00 C ATOM 1397 CG HIS A 93 68.610 -25.742 -20.523 1.00 0.00 C ATOM 1398 ND1 HIS A 93 67.626 -26.672 -20.739 1.00 0.00 N ATOM 1399 CD2 HIS A 93 68.249 -25.075 -19.401 1.00 0.00 C ATOM 1400 CE1 HIS A 93 66.722 -26.557 -19.769 1.00 0.00 C ATOM 1401 NE2 HIS A 93 67.057 -25.595 -18.922 1.00 0.00 N ATOM 0 H HIS A 93 71.841 -24.697 -19.673 1.00 0.00 H new ATOM 0 HA HIS A 93 70.897 -27.294 -20.690 1.00 0.00 H new ATOM 0 HB2 HIS A 93 70.008 -24.507 -21.536 1.00 0.00 H new ATOM 0 HB3 HIS A 93 69.600 -25.984 -22.386 1.00 0.00 H new ATOM 0 HD2 HIS A 93 68.803 -24.265 -18.950 1.00 0.00 H new ATOM 0 HE1 HIS A 93 65.834 -27.166 -19.684 1.00 0.00 H new ATOM 0 HE2 HIS A 93 66.545 -25.299 -18.091 1.00 0.00 H new ATOM 1409 N HIS A 94 72.984 -27.180 -22.020 1.00 0.00 N ATOM 1410 CA HIS A 94 74.019 -27.246 -23.024 1.00 0.00 C ATOM 1411 C HIS A 94 73.332 -27.512 -24.355 1.00 0.00 C ATOM 1412 O HIS A 94 72.892 -28.630 -24.639 1.00 0.00 O ATOM 1413 CB HIS A 94 75.040 -28.358 -22.689 1.00 0.00 C ATOM 1414 CG HIS A 94 76.203 -28.461 -23.649 1.00 0.00 C ATOM 1415 ND1 HIS A 94 76.221 -29.284 -24.748 1.00 0.00 N ATOM 1416 CD2 HIS A 94 77.401 -27.827 -23.646 1.00 0.00 C ATOM 1417 CE1 HIS A 94 77.394 -29.131 -25.364 1.00 0.00 C ATOM 1418 NE2 HIS A 94 78.153 -28.254 -24.734 1.00 0.00 N ATOM 0 H HIS A 94 72.902 -28.019 -21.445 1.00 0.00 H new ATOM 0 HA HIS A 94 74.579 -26.312 -23.065 1.00 0.00 H new ATOM 0 HB2 HIS A 94 75.429 -28.184 -21.686 1.00 0.00 H new ATOM 0 HB3 HIS A 94 74.519 -29.315 -22.667 1.00 0.00 H new ATOM 0 HD2 HIS A 94 77.721 -27.102 -22.912 1.00 0.00 H new ATOM 0 HE1 HIS A 94 77.685 -29.656 -26.262 1.00 0.00 H new ATOM 0 HE2 HIS A 94 79.093 -27.953 -24.991 1.00 0.00 H new ATOM 1426 N HIS A 95 73.180 -26.481 -25.107 1.00 0.00 N ATOM 1427 CA HIS A 95 72.458 -26.523 -26.340 1.00 0.00 C ATOM 1428 C HIS A 95 73.412 -26.536 -27.506 1.00 0.00 C ATOM 1429 O HIS A 95 73.418 -27.519 -28.251 1.00 0.00 O ATOM 1430 CB HIS A 95 71.428 -25.366 -26.418 1.00 0.00 C ATOM 1431 CG HIS A 95 71.999 -23.994 -26.182 1.00 0.00 C ATOM 1432 ND1 HIS A 95 72.271 -23.479 -24.929 1.00 0.00 N ATOM 1433 CD2 HIS A 95 72.371 -23.042 -27.065 1.00 0.00 C ATOM 1434 CE1 HIS A 95 72.787 -22.266 -25.087 1.00 0.00 C ATOM 1435 NE2 HIS A 95 72.871 -21.948 -26.371 1.00 0.00 N ATOM 1436 OXT HIS A 95 74.216 -25.605 -27.645 1.00 0.00 O ATOM 0 H HIS A 95 73.560 -25.562 -24.882 1.00 0.00 H new ATOM 0 HA HIS A 95 71.885 -27.449 -26.386 1.00 0.00 H new ATOM 0 HB2 HIS A 95 70.957 -25.384 -27.401 1.00 0.00 H new ATOM 0 HB3 HIS A 95 70.642 -25.548 -25.685 1.00 0.00 H new ATOM 0 HD1 HIS A 95 72.105 -23.948 -24.039 1.00 0.00 H new ATOM 0 HD2 HIS A 95 72.292 -23.119 -28.139 1.00 0.00 H new ATOM 0 HE1 HIS A 95 73.097 -21.623 -24.276 1.00 0.00 H new TER 1444 HIS A 95