USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 976 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 112 GLN : amide:sc= -0.351 X(o=-0.89,f=-0.54) USER MOD Set 1.2: A 120 TYR OH : rot 100:sc= -0.536 USER MOD Set 2.1: A 90 GLN :FLIP amide:sc= 0 X(o=-5.2,f=-5) USER MOD Set 2.2: A 95 HIS :FLIP no HD1:sc= -5.04! C(o=-6.4!,f=-5!) USER MOD Set 3.1: A 78 ASN : amide:sc= -2.29! C(o=-2.3!,f=-8.3!) USER MOD Set 3.2: A 80 SER OG : rot 180:sc= 0.00263 USER MOD Set 4.1: A 9 GLN : amide:sc= 0.627 K(o=1.5,f=-12!) USER MOD Set 4.2: A 10 THR OG1 : rot 33:sc= 0.876 USER MOD Single : A 1 CYS N :NH3+ 179:sc= -0.038 (180deg=-0.0402) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-1.7!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 15 SER OG : rot 130:sc= -0.755 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.043 F(o=-0.97,f=-0.043) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 31:sc= 0.0845 USER MOD Single : A 33 THR OG1 : rot 92:sc= -1.96! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -5.11! C(o=-5.1!,f=-13!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.0371 (180deg=-0.248) USER MOD Single : A 42 MET CE :methyl 180:sc= -3.34! (180deg=-3.34!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 153:sc= -0.121 (180deg=-1.44) USER MOD Single : A 46 TYR OH : rot 122:sc= 0.262 USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.045) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 63 THR OG1 : rot 134:sc= -6.38! USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 74 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-8.2!) USER MOD Single : A 76 SER OG : rot 27:sc= 1.09 USER MOD Single : A 77 HIS : no HD1:sc= 0.179 K(o=0.18,f=-2!) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0266) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.21! USER MOD Single : A 98 THR OG1 : rot -11:sc= 0.953 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 107 SER OG : rot -45:sc= 0.19 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00248 USER MOD Single : A 117 THR OG1 : rot -39:sc= 0.00547 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 157:sc= -11.4! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -8.138 14.846 1.342 1.00 0.00 N ATOM 2 CA CYS A 1 -7.233 13.699 1.664 1.00 0.00 C ATOM 3 C CYS A 1 -6.119 13.507 0.634 1.00 0.00 C ATOM 4 O CYS A 1 -5.499 12.446 0.596 1.00 0.00 O ATOM 5 CB CYS A 1 -8.065 12.415 1.723 1.00 0.00 C ATOM 6 SG CYS A 1 -8.647 11.966 3.388 1.00 0.00 S ATOM 0 H1 CYS A 1 -8.882 14.915 2.066 1.00 0.00 H new ATOM 0 H2 CYS A 1 -7.588 15.728 1.325 1.00 0.00 H new ATOM 0 H3 CYS A 1 -8.575 14.693 0.411 1.00 0.00 H new ATOM 0 HA CYS A 1 -6.761 13.921 2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -8.929 12.527 1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -7.469 11.593 1.327 1.00 0.00 H new ATOM 13 N THR A 2 -5.859 14.503 -0.204 1.00 0.00 N ATOM 14 CA THR A 2 -4.814 14.364 -1.209 1.00 0.00 C ATOM 15 C THR A 2 -3.586 15.191 -0.841 1.00 0.00 C ATOM 16 O THR A 2 -3.158 16.078 -1.578 1.00 0.00 O ATOM 17 CB THR A 2 -5.341 14.754 -2.592 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.110 15.947 -2.519 1.00 0.00 O ATOM 19 CG2 THR A 2 -6.200 13.675 -3.224 1.00 0.00 C ATOM 0 H THR A 2 -6.347 15.399 -0.209 1.00 0.00 H new ATOM 0 HA THR A 2 -4.513 13.317 -1.241 1.00 0.00 H new ATOM 0 HB THR A 2 -4.458 14.900 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.437 16.181 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.544 14.010 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.613 12.763 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.061 13.475 -2.586 1.00 0.00 H new ATOM 27 N CYS A 3 -3.041 14.866 0.316 1.00 0.00 N ATOM 28 CA CYS A 3 -1.860 15.523 0.863 1.00 0.00 C ATOM 29 C CYS A 3 -0.612 15.183 0.056 1.00 0.00 C ATOM 30 O CYS A 3 -0.683 14.518 -0.977 1.00 0.00 O ATOM 31 CB CYS A 3 -1.668 15.057 2.307 1.00 0.00 C ATOM 32 SG CYS A 3 -1.370 13.273 2.464 1.00 0.00 S ATOM 0 H CYS A 3 -3.409 14.127 0.915 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.008 16.602 0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.828 15.597 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.553 15.321 2.885 1.00 0.00 H new ATOM 37 N VAL A 4 0.537 15.624 0.561 1.00 0.00 N ATOM 38 CA VAL A 4 1.816 15.351 -0.081 1.00 0.00 C ATOM 39 C VAL A 4 2.525 14.213 0.646 1.00 0.00 C ATOM 40 O VAL A 4 2.207 13.914 1.798 1.00 0.00 O ATOM 41 CB VAL A 4 2.723 16.604 -0.110 1.00 0.00 C ATOM 42 CG1 VAL A 4 1.942 17.820 -0.579 1.00 0.00 C ATOM 43 CG2 VAL A 4 3.348 16.860 1.255 1.00 0.00 C ATOM 0 H VAL A 4 0.607 16.174 1.417 1.00 0.00 H new ATOM 0 HA VAL A 4 1.617 15.063 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 4 3.530 16.419 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.598 18.691 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.557 17.640 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.110 18.003 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.980 17.746 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.560 17.017 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.951 16.000 1.546 1.00 0.00 H new ATOM 53 N PRO A 5 3.491 13.559 -0.012 1.00 0.00 N ATOM 54 CA PRO A 5 4.235 12.447 0.579 1.00 0.00 C ATOM 55 C PRO A 5 4.592 12.677 2.050 1.00 0.00 C ATOM 56 O PRO A 5 5.441 13.511 2.366 1.00 0.00 O ATOM 57 CB PRO A 5 5.494 12.401 -0.279 1.00 0.00 C ATOM 58 CG PRO A 5 5.036 12.843 -1.627 1.00 0.00 C ATOM 59 CD PRO A 5 3.934 13.844 -1.391 1.00 0.00 C ATOM 0 HA PRO A 5 3.657 11.523 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.268 13.060 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.917 11.397 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.855 13.292 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.675 11.997 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.295 14.868 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.121 13.720 -2.106 1.00 0.00 H new ATOM 67 N PRO A 6 3.955 11.926 2.969 1.00 0.00 N ATOM 68 CA PRO A 6 4.214 12.034 4.397 1.00 0.00 C ATOM 69 C PRO A 6 5.388 11.175 4.806 1.00 0.00 C ATOM 70 O PRO A 6 5.545 10.049 4.332 1.00 0.00 O ATOM 71 CB PRO A 6 2.919 11.530 5.046 1.00 0.00 C ATOM 72 CG PRO A 6 2.136 10.844 3.963 1.00 0.00 C ATOM 73 CD PRO A 6 2.948 10.899 2.693 1.00 0.00 C ATOM 0 HA PRO A 6 4.471 13.050 4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.137 10.841 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.351 12.358 5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.930 9.810 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.173 11.334 3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.408 9.936 2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.331 11.164 1.834 1.00 0.00 H new ATOM 81 N HIS A 7 6.240 11.739 5.652 1.00 0.00 N ATOM 82 CA HIS A 7 7.452 11.087 6.114 1.00 0.00 C ATOM 83 C HIS A 7 7.343 9.569 6.133 1.00 0.00 C ATOM 84 O HIS A 7 6.476 9.003 6.800 1.00 0.00 O ATOM 85 CB HIS A 7 7.781 11.581 7.522 1.00 0.00 C ATOM 86 CG HIS A 7 8.234 13.010 7.577 1.00 0.00 C ATOM 87 ND1 HIS A 7 7.908 13.948 6.617 1.00 0.00 N ATOM 88 CD2 HIS A 7 8.982 13.665 8.496 1.00 0.00 C ATOM 89 CE1 HIS A 7 8.432 15.113 6.945 1.00 0.00 C ATOM 90 NE2 HIS A 7 9.088 14.970 8.080 1.00 0.00 N ATOM 0 H HIS A 7 6.105 12.673 6.039 1.00 0.00 H new ATOM 0 HA HIS A 7 8.243 11.344 5.409 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.899 11.466 8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.560 10.947 7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.415 13.241 9.390 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.340 16.029 6.380 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.593 15.709 8.570 1.00 0.00 H new ATOM 99 N PRO A 8 8.250 8.892 5.410 1.00 0.00 N ATOM 100 CA PRO A 8 8.289 7.438 5.352 1.00 0.00 C ATOM 101 C PRO A 8 8.613 6.860 6.698 1.00 0.00 C ATOM 102 O PRO A 8 8.146 5.779 7.032 1.00 0.00 O ATOM 103 CB PRO A 8 9.389 7.135 4.354 1.00 0.00 C ATOM 104 CG PRO A 8 10.259 8.331 4.431 1.00 0.00 C ATOM 105 CD PRO A 8 9.328 9.489 4.617 1.00 0.00 C ATOM 0 HA PRO A 8 7.332 7.005 5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.931 6.226 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.992 6.991 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.961 8.254 5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.851 8.445 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.807 10.317 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.966 9.878 3.665 1.00 0.00 H new ATOM 113 N GLN A 9 9.350 7.604 7.522 1.00 0.00 N ATOM 114 CA GLN A 9 9.603 7.138 8.863 1.00 0.00 C ATOM 115 C GLN A 9 8.239 6.842 9.400 1.00 0.00 C ATOM 116 O GLN A 9 7.876 5.710 9.716 1.00 0.00 O ATOM 117 CB GLN A 9 10.271 8.246 9.675 1.00 0.00 C ATOM 118 CG GLN A 9 10.004 8.211 11.179 1.00 0.00 C ATOM 119 CD GLN A 9 9.369 9.497 11.681 1.00 0.00 C ATOM 120 OE1 GLN A 9 8.262 9.851 11.280 1.00 0.00 O ATOM 121 NE2 GLN A 9 10.072 10.210 12.554 1.00 0.00 N ATOM 0 H GLN A 9 9.767 8.504 7.285 1.00 0.00 H new ATOM 0 HA GLN A 9 10.265 6.273 8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.348 8.192 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.938 9.208 9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.350 7.371 11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.941 8.040 11.708 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.987 9.881 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.697 11.086 12.917 1.00 0.00 H new ATOM 130 N THR A 10 7.495 7.923 9.475 1.00 0.00 N ATOM 131 CA THR A 10 6.155 7.873 9.951 1.00 0.00 C ATOM 132 C THR A 10 5.355 6.843 9.184 1.00 0.00 C ATOM 133 O THR A 10 4.786 5.942 9.798 1.00 0.00 O ATOM 134 CB THR A 10 5.515 9.274 9.872 1.00 0.00 C ATOM 135 OG1 THR A 10 5.900 10.062 10.992 1.00 0.00 O ATOM 136 CG2 THR A 10 3.992 9.282 9.796 1.00 0.00 C ATOM 0 H THR A 10 7.813 8.854 9.205 1.00 0.00 H new ATOM 0 HA THR A 10 6.157 7.565 10.997 1.00 0.00 H new ATOM 0 HB THR A 10 5.887 9.689 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.809 9.819 11.266 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.636 10.311 9.744 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.669 8.741 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.581 8.800 10.683 1.00 0.00 H new ATOM 144 N ALA A 11 5.286 6.936 7.857 1.00 0.00 N ATOM 145 CA ALA A 11 4.533 5.981 7.062 1.00 0.00 C ATOM 146 C ALA A 11 5.027 4.549 7.234 1.00 0.00 C ATOM 147 O ALA A 11 4.233 3.649 7.496 1.00 0.00 O ATOM 148 CB ALA A 11 4.586 6.373 5.604 1.00 0.00 C ATOM 0 H ALA A 11 5.745 7.667 7.313 1.00 0.00 H new ATOM 0 HA ALA A 11 3.504 6.007 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.020 5.653 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.154 7.366 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.623 6.383 5.267 1.00 0.00 H new ATOM 154 N PHE A 12 6.326 4.328 7.086 1.00 0.00 N ATOM 155 CA PHE A 12 6.871 2.983 7.231 1.00 0.00 C ATOM 156 C PHE A 12 6.580 2.433 8.611 1.00 0.00 C ATOM 157 O PHE A 12 5.975 1.372 8.766 1.00 0.00 O ATOM 158 CB PHE A 12 8.377 2.943 6.968 1.00 0.00 C ATOM 159 CG PHE A 12 8.831 1.614 6.435 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.366 1.152 5.214 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.699 0.814 7.159 1.00 0.00 C ATOM 162 CE1 PHE A 12 8.762 -0.077 4.725 1.00 0.00 C ATOM 163 CE2 PHE A 12 10.094 -0.418 6.673 1.00 0.00 C ATOM 164 CZ PHE A 12 9.626 -0.863 5.455 1.00 0.00 C ATOM 0 H PHE A 12 7.014 5.049 6.869 1.00 0.00 H new ATOM 0 HA PHE A 12 6.381 2.360 6.482 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.639 3.726 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.910 3.162 7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.685 1.761 4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.071 1.156 8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.394 -0.422 3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.770 -1.033 7.248 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.936 -1.825 5.074 1.00 0.00 H new ATOM 174 N CYS A 13 7.106 3.133 9.612 1.00 0.00 N ATOM 175 CA CYS A 13 7.001 2.694 10.989 1.00 0.00 C ATOM 176 C CYS A 13 5.589 2.699 11.520 1.00 0.00 C ATOM 177 O CYS A 13 5.165 1.733 12.157 1.00 0.00 O ATOM 178 CB CYS A 13 7.863 3.575 11.894 1.00 0.00 C ATOM 179 SG CYS A 13 9.620 3.108 11.956 1.00 0.00 S ATOM 0 H CYS A 13 7.611 4.011 9.488 1.00 0.00 H new ATOM 0 HA CYS A 13 7.352 1.662 10.997 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.787 4.607 11.553 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.456 3.542 12.905 1.00 0.00 H new ATOM 184 N ASN A 14 4.848 3.767 11.276 1.00 0.00 N ATOM 185 CA ASN A 14 3.494 3.805 11.771 1.00 0.00 C ATOM 186 C ASN A 14 2.629 2.716 11.128 1.00 0.00 C ATOM 187 O ASN A 14 1.759 2.165 11.801 1.00 0.00 O ATOM 188 CB ASN A 14 2.864 5.186 11.578 1.00 0.00 C ATOM 189 CG ASN A 14 1.850 5.504 12.664 1.00 0.00 C ATOM 190 OD1 ASN A 14 2.183 5.527 13.850 1.00 0.00 O ATOM 191 ND2 ASN A 14 0.606 5.750 12.268 1.00 0.00 N ATOM 0 H ASN A 14 5.152 4.590 10.756 1.00 0.00 H new ATOM 0 HA ASN A 14 3.539 3.606 12.842 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.646 5.945 11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.378 5.230 10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.115 5.968 12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.371 5.721 11.276 1.00 0.00 H new ATOM 198 N SER A 15 2.833 2.385 9.835 1.00 0.00 N ATOM 199 CA SER A 15 2.049 1.376 9.176 1.00 0.00 C ATOM 200 C SER A 15 2.478 -0.025 9.546 1.00 0.00 C ATOM 201 O SER A 15 3.626 -0.318 9.880 1.00 0.00 O ATOM 202 CB SER A 15 2.088 1.510 7.665 1.00 0.00 C ATOM 203 OG SER A 15 0.792 1.360 7.109 1.00 0.00 O ATOM 0 H SER A 15 3.543 2.817 9.244 1.00 0.00 H new ATOM 0 HA SER A 15 1.029 1.539 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.494 2.484 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.757 0.758 7.247 1.00 0.00 H new ATOM 0 HG SER A 15 0.610 2.104 6.497 1.00 0.00 H new ATOM 209 N ASP A 16 1.476 -0.838 9.502 1.00 0.00 N ATOM 210 CA ASP A 16 1.534 -2.243 9.846 1.00 0.00 C ATOM 211 C ASP A 16 1.571 -3.163 8.641 1.00 0.00 C ATOM 212 O ASP A 16 1.626 -4.382 8.791 1.00 0.00 O ATOM 213 CB ASP A 16 0.297 -2.592 10.656 1.00 0.00 C ATOM 214 CG ASP A 16 0.355 -2.075 12.078 1.00 0.00 C ATOM 215 OD1 ASP A 16 0.430 -0.841 12.258 1.00 0.00 O ATOM 216 OD2 ASP A 16 0.317 -2.902 13.013 1.00 0.00 O ATOM 0 H ASP A 16 0.545 -0.539 9.213 1.00 0.00 H new ATOM 0 HA ASP A 16 2.459 -2.393 10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.583 -2.180 10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.175 -3.675 10.674 1.00 0.00 H new ATOM 221 N LEU A 17 1.714 -2.581 7.467 1.00 0.00 N ATOM 222 CA LEU A 17 1.940 -3.397 6.292 1.00 0.00 C ATOM 223 C LEU A 17 2.415 -2.575 5.114 1.00 0.00 C ATOM 224 O LEU A 17 1.757 -1.654 4.665 1.00 0.00 O ATOM 225 CB LEU A 17 0.758 -4.299 5.970 1.00 0.00 C ATOM 226 CG LEU A 17 0.995 -5.736 6.439 1.00 0.00 C ATOM 227 CD1 LEU A 17 0.123 -6.080 7.630 1.00 0.00 C ATOM 228 CD2 LEU A 17 0.772 -6.713 5.308 1.00 0.00 C ATOM 0 H LEU A 17 1.679 -1.575 7.303 1.00 0.00 H new ATOM 0 HA LEU A 17 2.759 -4.077 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.140 -3.905 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.578 -4.293 4.895 1.00 0.00 H new ATOM 0 HG LEU A 17 2.034 -5.814 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.316 -7.108 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.351 -5.405 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.926 -5.975 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.946 -7.728 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.253 -6.626 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.462 -6.491 4.494 1.00 0.00 H new ATOM 240 N VAL A 18 3.590 -2.936 4.622 1.00 0.00 N ATOM 241 CA VAL A 18 4.195 -2.253 3.503 1.00 0.00 C ATOM 242 C VAL A 18 4.805 -3.260 2.568 1.00 0.00 C ATOM 243 O VAL A 18 5.474 -4.193 3.001 1.00 0.00 O ATOM 244 CB VAL A 18 5.314 -1.286 3.945 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.706 -0.360 2.802 1.00 0.00 C ATOM 246 CG2 VAL A 18 4.894 -0.485 5.168 1.00 0.00 C ATOM 0 H VAL A 18 4.145 -3.709 4.990 1.00 0.00 H new ATOM 0 HA VAL A 18 3.406 -1.680 3.016 1.00 0.00 H new ATOM 0 HB VAL A 18 6.185 -1.882 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.496 0.314 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.064 -0.953 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.839 0.223 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.701 0.188 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.003 0.097 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.676 -1.165 5.991 1.00 0.00 H new ATOM 256 N ILE A 19 4.466 -3.147 1.303 1.00 0.00 N ATOM 257 CA ILE A 19 4.859 -4.126 0.317 1.00 0.00 C ATOM 258 C ILE A 19 5.093 -3.480 -1.031 1.00 0.00 C ATOM 259 O ILE A 19 5.075 -2.256 -1.164 1.00 0.00 O ATOM 260 CB ILE A 19 3.773 -5.224 0.197 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.482 -4.646 -0.388 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.494 -5.848 1.557 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.482 -5.703 -0.800 1.00 0.00 C ATOM 0 H ILE A 19 3.912 -2.376 0.931 1.00 0.00 H new ATOM 0 HA ILE A 19 5.795 -4.579 0.644 1.00 0.00 H new ATOM 0 HB ILE A 19 4.145 -5.997 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.021 -3.988 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.728 -4.032 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.729 -6.617 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.408 -6.296 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.145 -5.079 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.591 -5.223 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.925 -6.347 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.207 -6.302 0.068 1.00 0.00 H new ATOM 275 N ARG A 20 5.214 -4.316 -2.040 1.00 0.00 N ATOM 276 CA ARG A 20 5.337 -3.872 -3.412 1.00 0.00 C ATOM 277 C ARG A 20 4.367 -4.732 -4.237 1.00 0.00 C ATOM 278 O ARG A 20 4.361 -5.957 -4.119 1.00 0.00 O ATOM 279 CB ARG A 20 6.775 -3.990 -3.935 1.00 0.00 C ATOM 280 CG ARG A 20 7.210 -5.414 -4.223 1.00 0.00 C ATOM 281 CD ARG A 20 8.653 -5.478 -4.713 1.00 0.00 C ATOM 282 NE ARG A 20 8.744 -5.851 -6.120 1.00 0.00 N ATOM 283 CZ ARG A 20 8.633 -4.987 -7.126 1.00 0.00 C ATOM 284 NH1 ARG A 20 8.479 -3.691 -6.887 1.00 0.00 N ATOM 285 NH2 ARG A 20 8.690 -5.420 -8.376 1.00 0.00 N ATOM 0 H ARG A 20 5.230 -5.330 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 20 5.089 -2.813 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.869 -3.401 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.454 -3.554 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.106 -6.015 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.552 -5.850 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.128 -4.508 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.207 -6.199 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 20 8.902 -6.833 -6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.445 -3.350 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.395 -3.036 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.819 -6.414 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.605 -4.760 -9.149 1.00 0.00 H new ATOM 299 N ALA A 21 3.523 -4.080 -5.019 1.00 0.00 N ATOM 300 CA ALA A 21 2.523 -4.823 -5.797 1.00 0.00 C ATOM 301 C ALA A 21 2.046 -4.128 -7.061 1.00 0.00 C ATOM 302 O ALA A 21 2.335 -2.973 -7.349 1.00 0.00 O ATOM 303 CB ALA A 21 1.343 -5.176 -4.911 1.00 0.00 C ATOM 0 H ALA A 21 3.501 -3.067 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 21 3.029 -5.724 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.604 -5.727 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.684 -5.793 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.892 -4.262 -4.524 1.00 0.00 H new ATOM 309 N LYS A 22 1.241 -4.928 -7.773 1.00 0.00 N ATOM 310 CA LYS A 22 0.567 -4.567 -9.018 1.00 0.00 C ATOM 311 C LYS A 22 -0.955 -4.626 -8.829 1.00 0.00 C ATOM 312 O LYS A 22 -1.447 -5.470 -8.095 1.00 0.00 O ATOM 313 CB LYS A 22 0.963 -5.570 -10.104 1.00 0.00 C ATOM 314 CG LYS A 22 2.126 -5.149 -10.979 1.00 0.00 C ATOM 315 CD LYS A 22 2.893 -6.362 -11.481 1.00 0.00 C ATOM 316 CE LYS A 22 4.279 -6.444 -10.874 1.00 0.00 C ATOM 317 NZ LYS A 22 5.035 -7.612 -11.399 1.00 0.00 N ATOM 0 H LYS A 22 1.036 -5.884 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 22 0.859 -3.556 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.213 -6.518 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.097 -5.752 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.758 -4.570 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.794 -4.499 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.337 -7.268 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.974 -6.316 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.827 -5.527 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.199 -6.519 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.979 -7.639 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.523 -8.488 -11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.132 -7.527 -12.431 1.00 0.00 H new ATOM 331 N PHE A 23 -1.706 -3.755 -9.496 1.00 0.00 N ATOM 332 CA PHE A 23 -3.168 -3.792 -9.374 1.00 0.00 C ATOM 333 C PHE A 23 -3.764 -4.586 -10.513 1.00 0.00 C ATOM 334 O PHE A 23 -3.499 -4.333 -11.687 1.00 0.00 O ATOM 335 CB PHE A 23 -3.759 -2.387 -9.282 1.00 0.00 C ATOM 336 CG PHE A 23 -3.673 -1.826 -7.891 1.00 0.00 C ATOM 337 CD1 PHE A 23 -2.440 -1.544 -7.326 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.817 -1.590 -7.146 1.00 0.00 C ATOM 339 CE1 PHE A 23 -2.349 -1.038 -6.044 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.733 -1.083 -5.863 1.00 0.00 C ATOM 341 CZ PHE A 23 -3.496 -0.806 -5.311 1.00 0.00 C ATOM 0 H PHE A 23 -1.342 -3.029 -10.114 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.426 -4.296 -8.442 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.232 -1.727 -9.971 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.802 -2.412 -9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.539 -1.722 -7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.786 -1.805 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.381 -0.824 -5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.632 -0.903 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.427 -0.409 -4.309 1.00 0.00 H new ATOM 351 N VAL A 24 -4.497 -5.616 -10.132 1.00 0.00 N ATOM 352 CA VAL A 24 -5.054 -6.545 -11.078 1.00 0.00 C ATOM 353 C VAL A 24 -6.488 -6.966 -10.764 1.00 0.00 C ATOM 354 O VAL A 24 -6.835 -8.144 -10.851 1.00 0.00 O ATOM 355 CB VAL A 24 -4.164 -7.790 -11.116 1.00 0.00 C ATOM 356 CG1 VAL A 24 -3.194 -7.732 -12.274 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.423 -7.942 -9.814 1.00 0.00 C ATOM 0 H VAL A 24 -4.718 -5.826 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.088 -6.036 -12.041 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.804 -8.660 -11.259 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.575 -8.629 -12.276 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.749 -7.672 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.558 -6.853 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.794 -8.831 -9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.799 -7.064 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.138 -8.041 -8.998 1.00 0.00 H new ATOM 367 N GLY A 25 -7.328 -5.994 -10.447 1.00 0.00 N ATOM 368 CA GLY A 25 -8.736 -6.264 -10.178 1.00 0.00 C ATOM 369 C GLY A 25 -9.532 -4.980 -10.022 1.00 0.00 C ATOM 370 O GLY A 25 -8.954 -3.897 -9.927 1.00 0.00 O ATOM 0 H GLY A 25 -7.063 -5.012 -10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.155 -6.856 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.826 -6.861 -9.270 1.00 0.00 H new ATOM 374 N THR A 26 -10.860 -5.095 -10.030 1.00 0.00 N ATOM 375 CA THR A 26 -11.756 -3.940 -9.927 1.00 0.00 C ATOM 376 C THR A 26 -12.175 -3.642 -8.476 1.00 0.00 C ATOM 377 O THR A 26 -12.295 -4.554 -7.656 1.00 0.00 O ATOM 378 CB THR A 26 -12.994 -4.219 -10.778 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.650 -4.991 -11.915 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.698 -2.976 -11.267 1.00 0.00 C ATOM 0 H THR A 26 -11.345 -5.989 -10.108 1.00 0.00 H new ATOM 0 HA THR A 26 -11.222 -3.059 -10.284 1.00 0.00 H new ATOM 0 HB THR A 26 -13.675 -4.754 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.454 -5.163 -12.449 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.565 -3.260 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.023 -2.382 -10.413 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.014 -2.387 -11.879 1.00 0.00 H new ATOM 388 N PRO A 27 -12.376 -2.343 -8.138 1.00 0.00 N ATOM 389 CA PRO A 27 -12.752 -1.911 -6.781 1.00 0.00 C ATOM 390 C PRO A 27 -14.229 -2.121 -6.400 1.00 0.00 C ATOM 391 O PRO A 27 -15.146 -1.764 -7.140 1.00 0.00 O ATOM 392 CB PRO A 27 -12.425 -0.421 -6.784 1.00 0.00 C ATOM 393 CG PRO A 27 -12.583 -0.003 -8.202 1.00 0.00 C ATOM 394 CD PRO A 27 -12.202 -1.192 -9.045 1.00 0.00 C ATOM 0 HA PRO A 27 -12.217 -2.509 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.098 0.134 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.411 -0.237 -6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.610 0.302 -8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.946 0.852 -8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.839 -1.278 -9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.175 -1.116 -9.401 1.00 0.00 H new ATOM 402 N GLU A 28 -14.411 -2.722 -5.224 1.00 0.00 N ATOM 403 CA GLU A 28 -15.768 -3.001 -4.730 1.00 0.00 C ATOM 404 C GLU A 28 -16.260 -1.913 -3.772 1.00 0.00 C ATOM 405 O GLU A 28 -15.757 -1.778 -2.656 1.00 0.00 O ATOM 406 CB GLU A 28 -15.822 -4.370 -4.051 1.00 0.00 C ATOM 407 CG GLU A 28 -16.745 -5.351 -4.756 1.00 0.00 C ATOM 408 CD GLU A 28 -17.319 -6.392 -3.818 1.00 0.00 C ATOM 409 OE1 GLU A 28 -16.534 -7.176 -3.248 1.00 0.00 O ATOM 410 OE2 GLU A 28 -18.558 -6.424 -3.654 1.00 0.00 O ATOM 0 H GLU A 28 -13.658 -3.021 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.434 -3.007 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.817 -4.790 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.154 -4.245 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.561 -4.802 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.196 -5.851 -5.554 1.00 0.00 H new ATOM 417 N VAL A 29 -17.214 -1.104 -4.244 1.00 0.00 N ATOM 418 CA VAL A 29 -17.722 0.011 -3.441 1.00 0.00 C ATOM 419 C VAL A 29 -19.120 -0.182 -2.844 1.00 0.00 C ATOM 420 O VAL A 29 -20.112 0.084 -3.524 1.00 0.00 O ATOM 421 CB VAL A 29 -17.764 1.312 -4.265 1.00 0.00 C ATOM 422 CG1 VAL A 29 -17.906 2.522 -3.356 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.537 1.440 -5.160 1.00 0.00 C ATOM 0 H VAL A 29 -17.644 -1.198 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.014 0.062 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.640 1.270 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.933 3.429 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.829 2.440 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.057 2.566 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.596 2.368 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.637 1.448 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.499 0.595 -5.848 1.00 0.00 H new ATOM 433 N ASN A 30 -19.223 -0.604 -1.583 1.00 0.00 N ATOM 434 CA ASN A 30 -20.550 -0.762 -0.984 1.00 0.00 C ATOM 435 C ASN A 30 -21.123 0.629 -0.727 1.00 0.00 C ATOM 436 O ASN A 30 -20.414 1.608 -0.499 1.00 0.00 O ATOM 437 CB ASN A 30 -20.527 -1.583 0.302 1.00 0.00 C ATOM 438 CG ASN A 30 -21.824 -2.356 0.495 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.575 -2.020 1.537 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -22.146 -3.249 -0.290 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.437 -0.835 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.180 -1.317 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.688 -2.279 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.366 -0.922 1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.541 -3.477 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -23.018 -3.760 -0.151 1.00 0.00 H new ATOM 447 N GLN A 31 -22.447 0.637 -0.708 1.00 0.00 N ATOM 448 CA GLN A 31 -23.193 1.853 -0.401 1.00 0.00 C ATOM 449 C GLN A 31 -23.256 2.058 1.101 1.00 0.00 C ATOM 450 O GLN A 31 -23.839 3.036 1.569 1.00 0.00 O ATOM 451 CB GLN A 31 -24.594 1.794 -0.986 1.00 0.00 C ATOM 452 CG GLN A 31 -24.610 1.508 -2.470 1.00 0.00 C ATOM 453 CD GLN A 31 -24.240 2.723 -3.300 1.00 0.00 C ATOM 454 OE1 GLN A 31 -25.101 3.515 -3.682 1.00 0.00 O ATOM 455 NE2 GLN A 31 -22.950 2.880 -3.581 1.00 0.00 N ATOM 0 H GLN A 31 -23.027 -0.180 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.674 2.698 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.164 1.023 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -25.098 2.742 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.914 0.698 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.603 1.163 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.268 2.200 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.642 3.681 -4.133 1.00 0.00 H new ATOM 464 N THR A 32 -22.779 1.094 1.859 1.00 0.00 N ATOM 465 CA THR A 32 -22.917 1.128 3.298 1.00 0.00 C ATOM 466 C THR A 32 -21.710 0.509 3.969 1.00 0.00 C ATOM 467 O THR A 32 -21.789 -0.077 5.047 1.00 0.00 O ATOM 468 CB THR A 32 -24.241 0.404 3.633 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.312 1.327 3.724 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.251 -0.433 4.897 1.00 0.00 C ATOM 0 H THR A 32 -22.290 0.274 1.500 1.00 0.00 H new ATOM 0 HA THR A 32 -22.958 2.149 3.678 1.00 0.00 H new ATOM 0 HB THR A 32 -24.356 -0.290 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.145 2.082 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.233 -0.889 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.495 -1.214 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.033 0.202 5.756 1.00 0.00 H new ATOM 478 N THR A 33 -20.574 0.688 3.341 1.00 0.00 N ATOM 479 CA THR A 33 -19.332 0.193 3.878 1.00 0.00 C ATOM 480 C THR A 33 -18.631 1.302 4.544 1.00 0.00 C ATOM 481 O THR A 33 -18.044 1.103 5.606 1.00 0.00 O ATOM 482 CB THR A 33 -18.371 -0.267 2.795 1.00 0.00 C ATOM 483 OG1 THR A 33 -17.035 -0.066 3.217 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.548 0.448 1.460 1.00 0.00 C ATOM 0 H THR A 33 -20.485 1.177 2.450 1.00 0.00 H new ATOM 0 HA THR A 33 -19.590 -0.635 4.538 1.00 0.00 H new ATOM 0 HB THR A 33 -18.596 -1.322 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.703 -0.880 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.825 0.062 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.557 0.276 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.389 1.518 1.596 1.00 0.00 H new ATOM 492 N LEU A 34 -18.501 2.408 3.824 1.00 0.00 N ATOM 493 CA LEU A 34 -17.635 3.473 4.285 1.00 0.00 C ATOM 494 C LEU A 34 -16.229 3.271 3.726 1.00 0.00 C ATOM 495 O LEU A 34 -15.406 4.175 3.785 1.00 0.00 O ATOM 496 CB LEU A 34 -17.536 3.541 5.806 1.00 0.00 C ATOM 497 CG LEU A 34 -18.454 4.534 6.484 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.237 4.492 7.991 1.00 0.00 C ATOM 499 CD2 LEU A 34 -18.183 5.927 5.925 1.00 0.00 C ATOM 0 H LEU A 34 -18.975 2.585 2.938 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.074 4.406 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.744 2.550 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.508 3.785 6.073 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.495 4.277 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.901 5.209 8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.453 3.490 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.201 4.747 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.842 6.648 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.145 6.199 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.369 5.931 4.851 1.00 0.00 H new ATOM 511 N TYR A 35 -15.992 2.063 3.186 1.00 0.00 N ATOM 512 CA TYR A 35 -14.718 1.660 2.564 1.00 0.00 C ATOM 513 C TYR A 35 -14.948 0.874 1.297 1.00 0.00 C ATOM 514 O TYR A 35 -16.069 0.535 0.947 1.00 0.00 O ATOM 515 CB TYR A 35 -13.815 0.865 3.503 1.00 0.00 C ATOM 516 CG TYR A 35 -14.531 -0.006 4.486 1.00 0.00 C ATOM 517 CD1 TYR A 35 -15.114 0.561 5.597 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.600 -1.381 4.325 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.757 -0.204 6.531 1.00 0.00 C ATOM 520 CE2 TYR A 35 -15.243 -2.168 5.262 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.823 -1.574 6.367 1.00 0.00 C ATOM 522 OH TYR A 35 -16.465 -2.347 7.311 1.00 0.00 O ATOM 0 H TYR A 35 -16.695 1.324 3.169 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.203 2.591 2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.153 0.241 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.184 1.563 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.063 1.631 5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -14.147 -1.842 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.211 0.261 7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -15.292 -3.239 5.132 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.423 -3.289 7.046 1.00 0.00 H new ATOM 532 N GLN A 36 -13.875 0.618 0.586 1.00 0.00 N ATOM 533 CA GLN A 36 -13.941 -0.093 -0.659 1.00 0.00 C ATOM 534 C GLN A 36 -12.757 -1.031 -0.743 1.00 0.00 C ATOM 535 O GLN A 36 -11.904 -1.036 0.144 1.00 0.00 O ATOM 536 CB GLN A 36 -13.870 0.907 -1.803 1.00 0.00 C ATOM 537 CG GLN A 36 -15.060 1.828 -1.895 1.00 0.00 C ATOM 538 CD GLN A 36 -14.683 3.201 -2.416 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.760 4.195 -1.697 1.00 0.00 O ATOM 540 NE2 GLN A 36 -14.273 3.258 -3.677 1.00 0.00 N ATOM 0 H GLN A 36 -12.933 0.899 0.859 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.870 -0.659 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.968 1.508 -1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.774 0.362 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.810 1.386 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.517 1.928 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.225 2.407 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.006 4.153 -4.086 1.00 0.00 H new ATOM 549 N ARG A 37 -12.671 -1.791 -1.815 1.00 0.00 N ATOM 550 CA ARG A 37 -11.541 -2.680 -1.985 1.00 0.00 C ATOM 551 C ARG A 37 -11.086 -2.709 -3.431 1.00 0.00 C ATOM 552 O ARG A 37 -11.880 -2.564 -4.349 1.00 0.00 O ATOM 553 CB ARG A 37 -11.829 -4.102 -1.484 1.00 0.00 C ATOM 554 CG ARG A 37 -13.298 -4.421 -1.285 1.00 0.00 C ATOM 555 CD ARG A 37 -13.770 -4.040 0.113 1.00 0.00 C ATOM 556 NE ARG A 37 -14.921 -3.146 0.073 1.00 0.00 N ATOM 557 CZ ARG A 37 -16.163 -3.543 -0.182 1.00 0.00 C ATOM 558 NH1 ARG A 37 -16.441 -4.833 -0.319 1.00 0.00 N ATOM 559 NH2 ARG A 37 -17.137 -2.649 -0.278 1.00 0.00 N ATOM 0 H ARG A 37 -13.357 -1.812 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.735 -2.280 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.410 -4.814 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.308 -4.251 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.891 -3.887 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.465 -5.486 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.030 -4.942 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.955 -3.558 0.653 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.763 -2.154 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.699 -5.527 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.397 -5.131 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.933 -1.657 -0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.091 -2.953 -0.474 1.00 0.00 H new ATOM 573 N TYR A 38 -9.798 -2.931 -3.595 1.00 0.00 N ATOM 574 CA TYR A 38 -9.156 -3.030 -4.900 1.00 0.00 C ATOM 575 C TYR A 38 -8.386 -4.338 -4.923 1.00 0.00 C ATOM 576 O TYR A 38 -7.937 -4.790 -3.870 1.00 0.00 O ATOM 577 CB TYR A 38 -8.139 -1.878 -5.110 1.00 0.00 C ATOM 578 CG TYR A 38 -8.634 -0.652 -5.861 1.00 0.00 C ATOM 579 CD1 TYR A 38 -9.124 -0.746 -7.157 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.584 0.615 -5.274 1.00 0.00 C ATOM 581 CE1 TYR A 38 -9.554 0.378 -7.841 1.00 0.00 C ATOM 582 CE2 TYR A 38 -9.010 1.737 -5.952 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.495 1.615 -7.235 1.00 0.00 C ATOM 584 OH TYR A 38 -9.921 2.735 -7.915 1.00 0.00 O ATOM 0 H TYR A 38 -9.152 -3.051 -2.815 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.914 -2.977 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.784 -1.556 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.278 -2.279 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.170 -1.711 -7.639 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.204 0.717 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.935 0.286 -8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.964 2.707 -5.479 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.813 3.525 -7.345 1.00 0.00 H new ATOM 594 N GLU A 39 -8.218 -4.973 -6.073 1.00 0.00 N ATOM 595 CA GLU A 39 -7.500 -6.232 -6.150 1.00 0.00 C ATOM 596 C GLU A 39 -6.136 -5.975 -6.727 1.00 0.00 C ATOM 597 O GLU A 39 -5.964 -5.057 -7.531 1.00 0.00 O ATOM 598 CB GLU A 39 -8.249 -7.262 -6.995 1.00 0.00 C ATOM 599 CG GLU A 39 -9.764 -7.213 -6.840 1.00 0.00 C ATOM 600 CD GLU A 39 -10.480 -8.235 -7.705 1.00 0.00 C ATOM 601 OE1 GLU A 39 -10.226 -9.446 -7.534 1.00 0.00 O ATOM 602 OE2 GLU A 39 -11.299 -7.824 -8.553 1.00 0.00 O ATOM 0 H GLU A 39 -8.571 -4.634 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.412 -6.646 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.997 -7.107 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.899 -8.259 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.023 -7.384 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.118 -6.215 -7.097 1.00 0.00 H new ATOM 609 N ILE A 40 -5.158 -6.743 -6.303 1.00 0.00 N ATOM 610 CA ILE A 40 -3.817 -6.525 -6.784 1.00 0.00 C ATOM 611 C ILE A 40 -3.069 -7.811 -7.083 1.00 0.00 C ATOM 612 O ILE A 40 -3.536 -8.913 -6.794 1.00 0.00 O ATOM 613 CB ILE A 40 -3.011 -5.715 -5.753 1.00 0.00 C ATOM 614 CG1 ILE A 40 -3.204 -6.297 -4.350 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.426 -4.252 -5.787 1.00 0.00 C ATOM 616 CD1 ILE A 40 -2.213 -5.771 -3.336 1.00 0.00 C ATOM 0 H ILE A 40 -5.264 -7.510 -5.639 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.917 -5.976 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.954 -5.778 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.215 -6.073 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.118 -7.382 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.847 -3.692 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.242 -3.845 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.487 -4.169 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.409 -6.226 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.200 -6.018 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.314 -4.689 -3.256 1.00 0.00 H new ATOM 628 N LYS A 41 -1.852 -7.633 -7.575 1.00 0.00 N ATOM 629 CA LYS A 41 -0.952 -8.727 -7.826 1.00 0.00 C ATOM 630 C LYS A 41 0.204 -8.532 -6.876 1.00 0.00 C ATOM 631 O LYS A 41 1.241 -7.978 -7.244 1.00 0.00 O ATOM 632 CB LYS A 41 -0.429 -8.722 -9.266 1.00 0.00 C ATOM 633 CG LYS A 41 0.563 -9.837 -9.552 1.00 0.00 C ATOM 634 CD LYS A 41 -0.113 -11.017 -10.230 1.00 0.00 C ATOM 635 CE LYS A 41 -0.641 -12.015 -9.213 1.00 0.00 C ATOM 636 NZ LYS A 41 0.459 -12.752 -8.531 1.00 0.00 N ATOM 0 H LYS A 41 -1.468 -6.718 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.465 -9.678 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.272 -8.811 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.046 -7.762 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.364 -9.460 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.023 -10.165 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.934 -10.660 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.596 -11.512 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.242 -11.491 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.299 -12.726 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.084 -13.628 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.200 -12.986 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.862 -12.157 -7.779 1.00 0.00 H new ATOM 650 N MET A 42 0.010 -8.956 -5.640 1.00 0.00 N ATOM 651 CA MET A 42 1.031 -8.793 -4.620 1.00 0.00 C ATOM 652 C MET A 42 2.372 -9.286 -5.126 1.00 0.00 C ATOM 653 O MET A 42 2.515 -10.454 -5.487 1.00 0.00 O ATOM 654 CB MET A 42 0.635 -9.528 -3.346 1.00 0.00 C ATOM 655 CG MET A 42 1.488 -9.153 -2.151 1.00 0.00 C ATOM 656 SD MET A 42 2.206 -10.591 -1.341 1.00 0.00 S ATOM 657 CE MET A 42 1.353 -10.533 0.227 1.00 0.00 C ATOM 0 H MET A 42 -0.843 -9.415 -5.319 1.00 0.00 H new ATOM 0 HA MET A 42 1.121 -7.731 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.410 -9.314 -3.120 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.710 -10.602 -3.515 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.287 -8.485 -2.474 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.881 -8.601 -1.434 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.685 -11.362 0.853 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.574 -9.590 0.727 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.279 -10.612 0.060 1.00 0.00 H new ATOM 667 N THR A 43 3.348 -8.391 -5.177 1.00 0.00 N ATOM 668 CA THR A 43 4.656 -8.763 -5.672 1.00 0.00 C ATOM 669 C THR A 43 5.544 -9.320 -4.559 1.00 0.00 C ATOM 670 O THR A 43 5.942 -10.485 -4.600 1.00 0.00 O ATOM 671 CB THR A 43 5.344 -7.590 -6.372 1.00 0.00 C ATOM 672 OG1 THR A 43 4.448 -6.904 -7.233 1.00 0.00 O ATOM 673 CG2 THR A 43 6.523 -8.021 -7.212 1.00 0.00 C ATOM 0 H THR A 43 3.258 -7.418 -4.886 1.00 0.00 H new ATOM 0 HA THR A 43 4.504 -9.554 -6.406 1.00 0.00 H new ATOM 0 HB THR A 43 5.687 -6.940 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.915 -6.159 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.972 -7.147 -7.685 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.262 -8.510 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.187 -8.717 -7.981 1.00 0.00 H new ATOM 681 N LYS A 44 5.844 -8.488 -3.552 1.00 0.00 N ATOM 682 CA LYS A 44 6.669 -8.880 -2.409 1.00 0.00 C ATOM 683 C LYS A 44 6.303 -8.031 -1.186 1.00 0.00 C ATOM 684 O LYS A 44 5.947 -6.862 -1.329 1.00 0.00 O ATOM 685 CB LYS A 44 8.155 -8.695 -2.732 1.00 0.00 C ATOM 686 CG LYS A 44 9.084 -9.417 -1.766 1.00 0.00 C ATOM 687 CD LYS A 44 9.822 -8.443 -0.858 1.00 0.00 C ATOM 688 CE LYS A 44 10.913 -7.694 -1.606 1.00 0.00 C ATOM 689 NZ LYS A 44 12.275 -8.143 -1.206 1.00 0.00 N ATOM 0 H LYS A 44 5.519 -7.522 -3.510 1.00 0.00 H new ATOM 0 HA LYS A 44 6.482 -9.932 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.346 -9.054 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.390 -7.631 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.507 -10.114 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.806 -10.008 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.113 -7.729 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.261 -8.987 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.783 -7.841 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.814 -6.625 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.988 -7.607 -1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.409 -7.979 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.380 -9.157 -1.410 1.00 0.00 H new ATOM 703 N MET A 45 6.387 -8.613 0.012 1.00 0.00 N ATOM 704 CA MET A 45 6.054 -7.884 1.240 1.00 0.00 C ATOM 705 C MET A 45 7.289 -7.199 1.812 1.00 0.00 C ATOM 706 O MET A 45 8.351 -7.812 1.910 1.00 0.00 O ATOM 707 CB MET A 45 5.468 -8.837 2.285 1.00 0.00 C ATOM 708 CG MET A 45 4.035 -9.255 2.006 1.00 0.00 C ATOM 709 SD MET A 45 3.568 -10.754 2.890 1.00 0.00 S ATOM 710 CE MET A 45 3.899 -10.261 4.581 1.00 0.00 C ATOM 0 H MET A 45 6.680 -9.579 0.159 1.00 0.00 H new ATOM 0 HA MET A 45 5.312 -7.125 0.990 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.092 -9.729 2.338 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.512 -8.358 3.263 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.362 -8.446 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.909 -9.414 0.935 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.256 -10.825 5.257 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.943 -10.463 4.821 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.700 -9.195 4.695 1.00 0.00 H new ATOM 720 N TYR A 46 7.160 -5.920 2.177 1.00 0.00 N ATOM 721 CA TYR A 46 8.242 -5.115 2.726 1.00 0.00 C ATOM 722 C TYR A 46 7.925 -4.683 4.158 1.00 0.00 C ATOM 723 O TYR A 46 8.641 -3.864 4.733 1.00 0.00 O ATOM 724 CB TYR A 46 8.416 -3.855 1.869 1.00 0.00 C ATOM 725 CG TYR A 46 9.188 -4.046 0.585 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.563 -4.565 -0.532 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.530 -3.680 0.477 1.00 0.00 C ATOM 728 CE1 TYR A 46 9.243 -4.722 -1.717 1.00 0.00 C ATOM 729 CE2 TYR A 46 11.215 -3.832 -0.712 1.00 0.00 C ATOM 730 CZ TYR A 46 10.566 -4.355 -1.807 1.00 0.00 C ATOM 731 OH TYR A 46 11.240 -4.506 -2.997 1.00 0.00 O ATOM 0 H TYR A 46 6.280 -5.410 2.095 1.00 0.00 H new ATOM 0 HA TYR A 46 9.152 -5.715 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.429 -3.463 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.921 -3.096 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.524 -4.852 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.041 -3.272 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.738 -5.134 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.253 -3.542 -0.782 1.00 0.00 H new ATOM 0 HH TYR A 46 11.592 -3.638 -3.286 1.00 0.00 H new ATOM 741 N LYS A 47 6.875 -5.261 4.745 1.00 0.00 N ATOM 742 CA LYS A 47 6.447 -4.996 6.114 1.00 0.00 C ATOM 743 C LYS A 47 5.107 -5.686 6.352 1.00 0.00 C ATOM 744 O LYS A 47 4.133 -5.389 5.660 1.00 0.00 O ATOM 745 CB LYS A 47 6.328 -3.498 6.400 1.00 0.00 C ATOM 746 CG LYS A 47 6.687 -3.138 7.834 1.00 0.00 C ATOM 747 CD LYS A 47 5.462 -3.161 8.736 1.00 0.00 C ATOM 748 CE LYS A 47 5.407 -4.427 9.577 1.00 0.00 C ATOM 749 NZ LYS A 47 4.920 -4.155 10.958 1.00 0.00 N ATOM 0 H LYS A 47 6.286 -5.943 4.267 1.00 0.00 H new ATOM 0 HA LYS A 47 7.203 -5.390 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.980 -2.951 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.308 -3.174 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.431 -3.839 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.141 -2.147 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.476 -2.290 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.561 -3.089 8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.751 -5.153 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.399 -4.875 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.338 -4.953 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.733 -4.036 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.349 -3.286 10.960 1.00 0.00 H new ATOM 763 N GLY A 48 5.047 -6.616 7.292 1.00 0.00 N ATOM 764 CA GLY A 48 3.809 -7.334 7.551 1.00 0.00 C ATOM 765 C GLY A 48 4.045 -8.805 7.785 1.00 0.00 C ATOM 766 O GLY A 48 3.106 -9.546 8.056 1.00 0.00 O ATOM 0 H GLY A 48 5.832 -6.889 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.316 -6.903 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.132 -7.206 6.706 1.00 0.00 H new ATOM 770 N PHE A 49 5.293 -9.239 7.635 1.00 0.00 N ATOM 771 CA PHE A 49 5.642 -10.643 7.794 1.00 0.00 C ATOM 772 C PHE A 49 4.956 -11.256 9.008 1.00 0.00 C ATOM 773 O PHE A 49 4.466 -12.383 8.942 1.00 0.00 O ATOM 774 CB PHE A 49 7.161 -10.790 7.911 1.00 0.00 C ATOM 775 CG PHE A 49 7.917 -10.018 6.865 1.00 0.00 C ATOM 776 CD1 PHE A 49 7.829 -10.371 5.528 1.00 0.00 C ATOM 777 CD2 PHE A 49 8.709 -8.937 7.218 1.00 0.00 C ATOM 778 CE1 PHE A 49 8.516 -9.660 4.562 1.00 0.00 C ATOM 779 CE2 PHE A 49 9.400 -8.223 6.257 1.00 0.00 C ATOM 780 CZ PHE A 49 9.302 -8.585 4.927 1.00 0.00 C ATOM 0 H PHE A 49 6.081 -8.634 7.403 1.00 0.00 H new ATOM 0 HA PHE A 49 5.293 -11.181 6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.476 -10.454 8.899 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.424 -11.845 7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.216 -11.212 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.787 -8.649 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.438 -9.945 3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.015 -7.384 6.545 1.00 0.00 H new ATOM 0 HZ PHE A 49 9.839 -8.028 4.174 1.00 0.00 H new ATOM 790 N GLN A 50 4.882 -10.518 10.105 1.00 0.00 N ATOM 791 CA GLN A 50 4.207 -11.047 11.281 1.00 0.00 C ATOM 792 C GLN A 50 2.739 -11.344 10.958 1.00 0.00 C ATOM 793 O GLN A 50 2.108 -12.182 11.603 1.00 0.00 O ATOM 794 CB GLN A 50 4.331 -10.104 12.474 1.00 0.00 C ATOM 795 CG GLN A 50 4.802 -10.829 13.718 1.00 0.00 C ATOM 796 CD GLN A 50 5.443 -9.915 14.745 1.00 0.00 C ATOM 797 OE1 GLN A 50 6.636 -9.622 14.675 1.00 0.00 O ATOM 798 NE2 GLN A 50 4.651 -9.464 15.712 1.00 0.00 N ATOM 0 H GLN A 50 5.268 -9.579 10.207 1.00 0.00 H new ATOM 0 HA GLN A 50 4.696 -11.980 11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.030 -9.303 12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.366 -9.636 12.669 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.954 -11.338 14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.518 -11.599 13.431 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.667 -9.732 15.732 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.027 -8.850 16.434 1.00 0.00 H new ATOM 807 N ALA A 51 2.225 -10.682 9.918 1.00 0.00 N ATOM 808 CA ALA A 51 0.858 -10.882 9.438 1.00 0.00 C ATOM 809 C ALA A 51 0.864 -11.979 8.369 1.00 0.00 C ATOM 810 O ALA A 51 -0.210 -12.428 7.976 1.00 0.00 O ATOM 811 CB ALA A 51 0.297 -9.582 8.871 1.00 0.00 C ATOM 0 H ALA A 51 2.749 -9.989 9.384 1.00 0.00 H new ATOM 0 HA ALA A 51 0.220 -11.187 10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.721 -9.748 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.291 -8.818 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.919 -9.249 8.040 1.00 0.00 H new ATOM 817 N LEU A 52 2.023 -12.416 7.891 1.00 0.00 N ATOM 818 CA LEU A 52 2.066 -13.458 6.875 1.00 0.00 C ATOM 819 C LEU A 52 1.440 -14.726 7.426 1.00 0.00 C ATOM 820 O LEU A 52 2.099 -15.719 7.719 1.00 0.00 O ATOM 821 CB LEU A 52 3.488 -13.704 6.343 1.00 0.00 C ATOM 822 CG LEU A 52 4.394 -14.614 7.183 1.00 0.00 C ATOM 823 CD1 LEU A 52 4.402 -16.028 6.620 1.00 0.00 C ATOM 824 CD2 LEU A 52 5.814 -14.068 7.220 1.00 0.00 C ATOM 0 H LEU A 52 2.935 -12.069 8.187 1.00 0.00 H new ATOM 0 HA LEU A 52 1.486 -13.122 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.407 -14.133 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.982 -12.738 6.236 1.00 0.00 H new ATOM 0 HG LEU A 52 3.998 -14.640 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.050 -16.658 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.389 -16.430 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.773 -16.009 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.442 -14.727 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.210 -14.015 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.809 -13.071 7.660 1.00 0.00 H new ATOM 836 N GLY A 53 0.137 -14.651 7.561 1.00 0.00 N ATOM 837 CA GLY A 53 -0.642 -15.764 8.072 1.00 0.00 C ATOM 838 C GLY A 53 -0.293 -17.034 7.352 1.00 0.00 C ATOM 839 O GLY A 53 0.438 -17.880 7.866 1.00 0.00 O ATOM 0 H GLY A 53 -0.413 -13.826 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.457 -15.883 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.705 -15.554 7.954 1.00 0.00 H new ATOM 843 N ASP A 54 -0.804 -17.147 6.140 1.00 0.00 N ATOM 844 CA ASP A 54 -0.538 -18.298 5.313 1.00 0.00 C ATOM 845 C ASP A 54 0.685 -18.018 4.467 1.00 0.00 C ATOM 846 O ASP A 54 1.795 -18.447 4.782 1.00 0.00 O ATOM 847 CB ASP A 54 -1.752 -18.621 4.429 1.00 0.00 C ATOM 848 CG ASP A 54 -2.973 -19.023 5.237 1.00 0.00 C ATOM 849 OD1 ASP A 54 -3.733 -18.122 5.652 1.00 0.00 O ATOM 850 OD2 ASP A 54 -3.173 -20.237 5.449 1.00 0.00 O ATOM 0 H ASP A 54 -1.409 -16.448 5.709 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.351 -19.167 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.995 -17.750 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.493 -19.428 3.743 1.00 0.00 H new ATOM 855 N ALA A 55 0.467 -17.274 3.409 1.00 0.00 N ATOM 856 CA ALA A 55 1.528 -16.886 2.506 1.00 0.00 C ATOM 857 C ALA A 55 1.222 -15.529 1.900 1.00 0.00 C ATOM 858 O ALA A 55 2.094 -14.673 1.755 1.00 0.00 O ATOM 859 CB ALA A 55 1.690 -17.934 1.427 1.00 0.00 C ATOM 0 H ALA A 55 -0.453 -16.919 3.148 1.00 0.00 H new ATOM 0 HA ALA A 55 2.465 -16.811 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.490 -17.638 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.938 -18.892 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.758 -18.029 0.869 1.00 0.00 H new ATOM 865 N ALA A 56 -0.044 -15.366 1.539 1.00 0.00 N ATOM 866 CA ALA A 56 -0.528 -14.135 0.924 1.00 0.00 C ATOM 867 C ALA A 56 -1.585 -13.467 1.785 1.00 0.00 C ATOM 868 O ALA A 56 -2.784 -13.621 1.551 1.00 0.00 O ATOM 869 CB ALA A 56 -1.074 -14.421 -0.468 1.00 0.00 C ATOM 0 H ALA A 56 -0.762 -16.079 1.663 1.00 0.00 H new ATOM 0 HA ALA A 56 0.313 -13.447 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.432 -13.494 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.284 -14.843 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.898 -15.131 -0.397 1.00 0.00 H new ATOM 875 N ASP A 57 -1.137 -12.731 2.784 1.00 0.00 N ATOM 876 CA ASP A 57 -2.055 -12.048 3.682 1.00 0.00 C ATOM 877 C ASP A 57 -2.411 -10.651 3.178 1.00 0.00 C ATOM 878 O ASP A 57 -3.026 -9.871 3.904 1.00 0.00 O ATOM 879 CB ASP A 57 -1.449 -11.950 5.082 1.00 0.00 C ATOM 880 CG ASP A 57 -2.504 -12.017 6.169 1.00 0.00 C ATOM 881 OD1 ASP A 57 -3.183 -13.059 6.272 1.00 0.00 O ATOM 882 OD2 ASP A 57 -2.652 -11.026 6.915 1.00 0.00 O ATOM 0 H ASP A 57 -0.149 -12.590 2.996 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.972 -12.636 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.732 -12.759 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.896 -11.015 5.172 1.00 0.00 H new ATOM 887 N ILE A 58 -2.024 -10.319 1.944 1.00 0.00 N ATOM 888 CA ILE A 58 -2.323 -8.994 1.403 1.00 0.00 C ATOM 889 C ILE A 58 -2.521 -9.013 -0.100 1.00 0.00 C ATOM 890 O ILE A 58 -1.583 -8.710 -0.842 1.00 0.00 O ATOM 891 CB ILE A 58 -1.161 -8.010 1.667 1.00 0.00 C ATOM 892 CG1 ILE A 58 -0.526 -8.241 3.037 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.631 -6.571 1.522 1.00 0.00 C ATOM 894 CD1 ILE A 58 0.977 -8.404 2.982 1.00 0.00 C ATOM 0 H ILE A 58 -1.513 -10.936 1.313 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.240 -8.681 1.903 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.393 -8.198 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.770 -7.402 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.965 -9.132 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.797 -5.895 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.005 -6.411 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.428 -6.375 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.363 -8.565 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.227 -9.261 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.425 -7.504 2.561 1.00 0.00 H new ATOM 906 N ARG A 59 -3.698 -9.393 -0.586 1.00 0.00 N ATOM 907 CA ARG A 59 -3.893 -9.457 -2.019 1.00 0.00 C ATOM 908 C ARG A 59 -4.955 -8.493 -2.558 1.00 0.00 C ATOM 909 O ARG A 59 -5.266 -8.457 -3.748 1.00 0.00 O ATOM 910 CB ARG A 59 -4.276 -10.879 -2.414 1.00 0.00 C ATOM 911 CG ARG A 59 -3.299 -11.931 -1.923 1.00 0.00 C ATOM 912 CD ARG A 59 -3.501 -13.250 -2.651 1.00 0.00 C ATOM 913 NE ARG A 59 -3.540 -13.076 -4.104 1.00 0.00 N ATOM 914 CZ ARG A 59 -2.566 -13.453 -4.931 1.00 0.00 C ATOM 915 NH1 ARG A 59 -1.459 -14.017 -4.463 1.00 0.00 N ATOM 916 NH2 ARG A 59 -2.698 -13.260 -6.237 1.00 0.00 N ATOM 0 H ARG A 59 -4.507 -9.654 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.945 -9.153 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.267 -11.103 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.346 -10.939 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.278 -11.582 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.429 -12.080 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.694 -13.935 -2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.431 -13.710 -2.316 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.367 -12.638 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.347 -14.166 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.720 -14.301 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.543 -12.824 -6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.954 -13.548 -6.873 1.00 0.00 H new ATOM 930 N PHE A 60 -5.495 -7.712 -1.603 1.00 0.00 N ATOM 931 CA PHE A 60 -6.519 -6.717 -1.848 1.00 0.00 C ATOM 932 C PHE A 60 -6.355 -5.601 -0.848 1.00 0.00 C ATOM 933 O PHE A 60 -5.834 -5.792 0.250 1.00 0.00 O ATOM 934 CB PHE A 60 -7.919 -7.330 -1.736 1.00 0.00 C ATOM 935 CG PHE A 60 -8.140 -8.530 -2.608 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.725 -9.787 -2.199 1.00 0.00 C ATOM 937 CD2 PHE A 60 -8.772 -8.400 -3.830 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.936 -10.893 -2.998 1.00 0.00 C ATOM 939 CE2 PHE A 60 -8.986 -9.503 -4.634 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.567 -10.751 -4.217 1.00 0.00 C ATOM 0 H PHE A 60 -5.215 -7.768 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.409 -6.329 -2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.097 -7.612 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.657 -6.570 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.231 -9.903 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.102 -7.426 -4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.608 -11.868 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.480 -9.389 -5.587 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.733 -11.615 -4.844 1.00 0.00 H new ATOM 950 N VAL A 61 -6.724 -4.423 -1.280 1.00 0.00 N ATOM 951 CA VAL A 61 -6.546 -3.234 -0.477 1.00 0.00 C ATOM 952 C VAL A 61 -7.892 -2.630 -0.040 1.00 0.00 C ATOM 953 O VAL A 61 -8.768 -2.396 -0.866 1.00 0.00 O ATOM 954 CB VAL A 61 -5.737 -2.203 -1.292 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.713 -2.875 -2.184 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.623 -1.258 -2.086 1.00 0.00 C ATOM 0 H VAL A 61 -7.153 -4.258 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.008 -3.505 0.431 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.200 -1.593 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.163 -2.117 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.018 -3.450 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.220 -3.542 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.001 -0.555 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.232 -1.831 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.272 -0.709 -1.404 1.00 0.00 H new ATOM 966 N TYR A 62 -8.072 -2.437 1.269 1.00 0.00 N ATOM 967 CA TYR A 62 -9.334 -1.926 1.791 1.00 0.00 C ATOM 968 C TYR A 62 -9.228 -0.531 2.415 1.00 0.00 C ATOM 969 O TYR A 62 -8.681 -0.341 3.504 1.00 0.00 O ATOM 970 CB TYR A 62 -9.910 -2.915 2.805 1.00 0.00 C ATOM 971 CG TYR A 62 -10.120 -4.302 2.234 1.00 0.00 C ATOM 972 CD1 TYR A 62 -9.052 -5.043 1.736 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.387 -4.870 2.193 1.00 0.00 C ATOM 974 CE1 TYR A 62 -9.242 -6.303 1.217 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.584 -6.135 1.672 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.509 -6.849 1.187 1.00 0.00 C ATOM 977 OH TYR A 62 -10.702 -8.108 0.663 1.00 0.00 O ATOM 0 H TYR A 62 -7.364 -2.626 1.979 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.003 -1.822 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.239 -2.980 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.862 -2.533 3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.058 -4.622 1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.231 -4.315 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.402 -6.863 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.576 -6.562 1.645 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.652 -8.343 0.719 1.00 0.00 H new ATOM 987 N THR A 63 -9.762 0.442 1.695 1.00 0.00 N ATOM 988 CA THR A 63 -9.760 1.840 2.141 1.00 0.00 C ATOM 989 C THR A 63 -11.193 2.400 2.250 1.00 0.00 C ATOM 990 O THR A 63 -12.095 1.944 1.557 1.00 0.00 O ATOM 991 CB THR A 63 -8.942 2.701 1.185 1.00 0.00 C ATOM 992 OG1 THR A 63 -8.944 4.043 1.614 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.449 2.655 -0.242 1.00 0.00 C ATOM 0 H THR A 63 -10.208 0.295 0.790 1.00 0.00 H new ATOM 0 HA THR A 63 -9.306 1.869 3.132 1.00 0.00 H new ATOM 0 HB THR A 63 -7.933 2.288 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.032 4.400 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.824 3.289 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.411 1.629 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.478 3.014 -0.274 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.418 3.387 3.150 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.751 4.003 3.384 1.00 0.00 C ATOM 1003 C PRO A 64 -13.382 4.696 2.157 1.00 0.00 C ATOM 1004 O PRO A 64 -12.715 5.372 1.375 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.478 5.038 4.479 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.219 4.587 5.132 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.398 3.959 4.044 1.00 0.00 C ATOM 0 HA PRO A 64 -13.475 3.230 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.368 6.038 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.299 5.082 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.691 5.426 5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.426 3.872 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.778 4.694 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.728 3.193 4.435 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.698 4.488 2.033 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.535 5.017 0.977 1.00 0.00 C ATOM 1017 C ALA A 65 -16.368 6.208 1.445 1.00 0.00 C ATOM 1018 O ALA A 65 -17.545 6.327 1.099 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.453 3.923 0.455 1.00 0.00 C ATOM 0 H ALA A 65 -15.221 3.920 2.700 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.878 5.368 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.082 4.324 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.854 3.101 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.083 3.558 1.267 1.00 0.00 H new ATOM 1025 N MET A 66 -15.759 7.085 2.229 1.00 0.00 N ATOM 1026 CA MET A 66 -16.451 8.266 2.741 1.00 0.00 C ATOM 1027 C MET A 66 -16.457 9.388 1.702 1.00 0.00 C ATOM 1028 O MET A 66 -15.803 9.294 0.665 1.00 0.00 O ATOM 1029 CB MET A 66 -15.796 8.747 4.037 1.00 0.00 C ATOM 1030 CG MET A 66 -16.688 8.633 5.259 1.00 0.00 C ATOM 1031 SD MET A 66 -16.513 10.038 6.375 1.00 0.00 S ATOM 1032 CE MET A 66 -15.720 9.256 7.777 1.00 0.00 C ATOM 0 H MET A 66 -14.787 7.004 2.527 1.00 0.00 H new ATOM 0 HA MET A 66 -17.484 7.990 2.951 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.887 8.170 4.208 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.495 9.788 3.915 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.727 8.554 4.940 1.00 0.00 H new ATOM 0 HG3 MET A 66 -16.448 7.715 5.795 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.544 9.998 8.556 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.364 8.467 8.166 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.769 8.826 7.464 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.213 10.443 1.980 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.308 11.576 1.064 1.00 0.00 C ATOM 1044 C GLU A 67 -15.973 12.311 0.953 1.00 0.00 C ATOM 1045 O GLU A 67 -15.302 12.246 -0.077 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.396 12.542 1.533 1.00 0.00 C ATOM 1047 CG GLU A 67 -19.628 12.542 0.646 1.00 0.00 C ATOM 1048 CD GLU A 67 -20.313 13.893 0.606 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -20.738 14.375 1.676 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -20.422 14.472 -0.496 1.00 0.00 O ATOM 0 H GLU A 67 -17.769 10.539 2.830 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.568 11.190 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.690 12.280 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.984 13.551 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.344 12.252 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.332 11.792 1.007 1.00 0.00 H new ATOM 1057 N SER A 68 -15.595 13.012 2.021 1.00 0.00 N ATOM 1058 CA SER A 68 -14.340 13.761 2.043 1.00 0.00 C ATOM 1059 C SER A 68 -13.200 12.898 2.570 1.00 0.00 C ATOM 1060 O SER A 68 -12.274 13.397 3.211 1.00 0.00 O ATOM 1061 CB SER A 68 -14.483 15.012 2.912 1.00 0.00 C ATOM 1062 OG SER A 68 -13.574 16.020 2.509 1.00 0.00 O ATOM 0 H SER A 68 -16.139 13.077 2.881 1.00 0.00 H new ATOM 0 HA SER A 68 -14.108 14.058 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.503 15.390 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.306 14.755 3.956 1.00 0.00 H new ATOM 0 HG SER A 68 -13.687 16.809 3.079 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.275 11.605 2.298 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.259 10.669 2.742 1.00 0.00 C ATOM 1070 C VAL A 69 -11.108 10.603 1.755 1.00 0.00 C ATOM 1071 O VAL A 69 -11.109 11.277 0.726 1.00 0.00 O ATOM 1072 CB VAL A 69 -12.852 9.253 2.915 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.017 8.543 1.574 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.020 8.416 3.872 1.00 0.00 C ATOM 0 H VAL A 69 -14.035 11.179 1.768 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.889 11.027 3.702 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.844 9.373 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.437 7.550 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.687 9.120 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.045 8.451 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.465 7.426 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.006 8.321 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.991 8.900 4.848 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.147 9.759 2.072 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.998 9.548 1.230 1.00 0.00 C ATOM 1086 C CYS A 70 -9.249 8.358 0.339 1.00 0.00 C ATOM 1087 O CYS A 70 -9.199 8.466 -0.887 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.749 9.331 2.095 1.00 0.00 C ATOM 1089 SG CYS A 70 -7.797 10.150 3.731 1.00 0.00 S ATOM 0 H CYS A 70 -10.146 9.200 2.925 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.829 10.426 0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.609 8.260 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.878 9.693 1.548 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.495 7.216 0.950 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.713 6.038 0.179 1.00 0.00 C ATOM 1096 C GLY A 71 -8.435 5.665 -0.506 1.00 0.00 C ATOM 1097 O GLY A 71 -7.426 5.401 0.143 1.00 0.00 O ATOM 0 H GLY A 71 -9.546 7.092 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.048 5.224 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.499 6.209 -0.556 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.459 5.703 -1.811 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.264 5.435 -2.583 1.00 0.00 C ATOM 1103 C TYR A 72 -7.433 5.761 -4.055 1.00 0.00 C ATOM 1104 O TYR A 72 -7.743 4.878 -4.856 1.00 0.00 O ATOM 1105 CB TYR A 72 -6.841 3.990 -2.384 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.478 3.669 -2.934 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.344 4.062 -2.249 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.321 2.968 -4.120 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.085 3.771 -2.721 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -4.063 2.670 -4.606 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.947 3.072 -3.903 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.693 2.774 -4.383 1.00 0.00 O ATOM 0 H TYR A 72 -9.288 5.916 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.477 6.094 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.854 3.762 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.575 3.339 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.448 4.609 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.194 2.651 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.211 4.087 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.954 2.125 -5.532 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.774 2.277 -5.224 1.00 0.00 H new ATOM 1122 N PHE A 73 -7.274 7.021 -4.419 1.00 0.00 N ATOM 1123 CA PHE A 73 -7.460 7.396 -5.812 1.00 0.00 C ATOM 1124 C PHE A 73 -6.369 6.773 -6.674 1.00 0.00 C ATOM 1125 O PHE A 73 -5.268 7.302 -6.819 1.00 0.00 O ATOM 1126 CB PHE A 73 -7.469 8.915 -5.977 1.00 0.00 C ATOM 1127 CG PHE A 73 -8.833 9.527 -5.820 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -9.759 9.470 -6.853 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -9.190 10.162 -4.642 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -11.012 10.036 -6.710 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -10.441 10.731 -4.495 1.00 0.00 C ATOM 1132 CZ PHE A 73 -11.353 10.668 -5.530 1.00 0.00 C ATOM 0 H PHE A 73 -7.023 7.784 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.428 7.018 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.795 9.356 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.077 9.168 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.497 8.978 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.482 10.213 -3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.724 9.984 -7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.705 11.225 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.331 11.112 -5.417 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.708 5.601 -7.204 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.772 4.840 -8.020 1.00 0.00 C ATOM 1144 C HIS A 74 -6.047 5.000 -9.512 1.00 0.00 C ATOM 1145 O HIS A 74 -7.083 4.571 -10.022 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.822 3.370 -7.594 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.146 2.421 -8.539 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -4.161 1.547 -8.138 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -5.318 2.206 -9.864 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -3.757 0.838 -9.172 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -4.442 1.216 -10.233 1.00 0.00 N ATOM 0 H HIS A 74 -7.620 5.161 -7.083 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.768 5.230 -7.856 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.359 3.274 -6.612 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.865 3.072 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.015 2.718 -10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.993 0.075 -9.154 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.338 0.835 -11.174 1.00 0.00 H new ATOM 1160 N ARG A 75 -5.095 5.626 -10.203 1.00 0.00 N ATOM 1161 CA ARG A 75 -5.193 5.865 -11.641 1.00 0.00 C ATOM 1162 C ARG A 75 -4.156 5.028 -12.396 1.00 0.00 C ATOM 1163 O ARG A 75 -3.136 5.555 -12.840 1.00 0.00 O ATOM 1164 CB ARG A 75 -4.955 7.352 -11.942 1.00 0.00 C ATOM 1165 CG ARG A 75 -6.177 8.271 -11.831 1.00 0.00 C ATOM 1166 CD ARG A 75 -7.381 7.626 -11.152 1.00 0.00 C ATOM 1167 NE ARG A 75 -8.446 7.320 -12.104 1.00 0.00 N ATOM 1168 CZ ARG A 75 -9.502 6.565 -11.814 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -9.630 6.026 -10.607 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -10.434 6.346 -12.731 1.00 0.00 N ATOM 0 H ARG A 75 -4.236 5.981 -9.782 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.192 5.578 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.187 7.720 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.554 7.437 -12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.896 9.166 -11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.467 8.594 -12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.068 6.710 -10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.764 8.295 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.376 7.707 -13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.916 6.190 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.442 5.448 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.342 6.757 -13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.243 5.767 -12.507 1.00 0.00 H new ATOM 1184 N SER A 76 -4.408 3.725 -12.538 1.00 0.00 N ATOM 1185 CA SER A 76 -3.465 2.849 -13.238 1.00 0.00 C ATOM 1186 C SER A 76 -4.125 1.554 -13.719 1.00 0.00 C ATOM 1187 O SER A 76 -4.484 0.692 -12.918 1.00 0.00 O ATOM 1188 CB SER A 76 -2.268 2.522 -12.331 1.00 0.00 C ATOM 1189 OG SER A 76 -1.325 3.580 -12.337 1.00 0.00 O ATOM 0 H SER A 76 -5.243 3.258 -12.184 1.00 0.00 H new ATOM 0 HA SER A 76 -3.119 3.388 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.616 2.345 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.791 1.602 -12.669 1.00 0.00 H new ATOM 0 HG SER A 76 -1.780 4.423 -12.543 1.00 0.00 H new ATOM 1195 N HIS A 77 -4.256 1.421 -15.040 1.00 0.00 N ATOM 1196 CA HIS A 77 -4.843 0.224 -15.650 1.00 0.00 C ATOM 1197 C HIS A 77 -3.779 -0.863 -15.844 1.00 0.00 C ATOM 1198 O HIS A 77 -4.088 -2.016 -16.144 1.00 0.00 O ATOM 1199 CB HIS A 77 -5.499 0.574 -16.994 1.00 0.00 C ATOM 1200 CG HIS A 77 -4.532 0.921 -18.091 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -3.434 1.740 -17.912 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -4.517 0.561 -19.397 1.00 0.00 C ATOM 1203 CE1 HIS A 77 -2.791 1.869 -19.059 1.00 0.00 C ATOM 1204 NE2 HIS A 77 -3.427 1.164 -19.974 1.00 0.00 N ATOM 0 H HIS A 77 -3.962 2.130 -15.712 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.609 -0.161 -14.977 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.107 -0.271 -17.317 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.176 1.415 -16.845 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -5.230 -0.081 -19.892 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.897 2.453 -19.220 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.153 1.080 -20.953 1.00 0.00 H new ATOM 1213 N ASN A 78 -2.524 -0.460 -15.690 1.00 0.00 N ATOM 1214 CA ASN A 78 -1.398 -1.372 -15.868 1.00 0.00 C ATOM 1215 C ASN A 78 -1.350 -2.440 -14.777 1.00 0.00 C ATOM 1216 O ASN A 78 -1.068 -2.139 -13.617 1.00 0.00 O ATOM 1217 CB ASN A 78 -0.080 -0.604 -15.896 1.00 0.00 C ATOM 1218 CG ASN A 78 0.964 -1.297 -16.751 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.073 -1.582 -16.297 1.00 0.00 O ATOM 1220 ND2 ASN A 78 0.612 -1.576 -18.000 1.00 0.00 N ATOM 0 H ASN A 78 -2.259 0.493 -15.442 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.543 -1.874 -16.825 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.254 0.401 -16.280 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.298 -0.495 -14.879 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.270 -2.044 -18.623 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.317 -1.323 -18.337 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.635 -3.689 -15.154 1.00 0.00 N ATOM 1228 CA ARG A 79 -1.640 -4.815 -14.219 1.00 0.00 C ATOM 1229 C ARG A 79 -0.232 -5.371 -13.988 1.00 0.00 C ATOM 1230 O ARG A 79 -0.003 -6.133 -13.049 1.00 0.00 O ATOM 1231 CB ARG A 79 -2.561 -5.928 -14.730 1.00 0.00 C ATOM 1232 CG ARG A 79 -2.361 -6.278 -16.194 1.00 0.00 C ATOM 1233 CD ARG A 79 -3.659 -6.185 -16.981 1.00 0.00 C ATOM 1234 NE ARG A 79 -3.426 -6.306 -18.418 1.00 0.00 N ATOM 1235 CZ ARG A 79 -4.177 -7.037 -19.243 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -5.241 -7.689 -18.792 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -3.865 -7.107 -20.530 1.00 0.00 N ATOM 0 H ARG A 79 -1.868 -3.947 -16.113 1.00 0.00 H new ATOM 0 HA ARG A 79 -2.014 -4.443 -13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.399 -6.823 -14.129 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.597 -5.625 -14.579 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.623 -5.605 -16.631 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.959 -7.288 -16.274 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.340 -6.971 -16.655 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.146 -5.233 -16.770 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.637 -5.798 -18.817 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.492 -7.634 -17.805 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.808 -8.245 -19.432 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.053 -6.603 -20.886 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.437 -7.665 -21.164 1.00 0.00 H new ATOM 1251 N SER A 80 0.705 -4.977 -14.842 1.00 0.00 N ATOM 1252 CA SER A 80 2.092 -5.421 -14.732 1.00 0.00 C ATOM 1253 C SER A 80 2.929 -4.298 -14.127 1.00 0.00 C ATOM 1254 O SER A 80 4.112 -4.509 -13.857 1.00 0.00 O ATOM 1255 CB SER A 80 2.625 -5.795 -16.118 1.00 0.00 C ATOM 1256 OG SER A 80 2.368 -4.766 -17.058 1.00 0.00 O ATOM 0 H SER A 80 0.529 -4.346 -15.624 1.00 0.00 H new ATOM 0 HA SER A 80 2.150 -6.299 -14.088 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.698 -5.980 -16.061 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.159 -6.722 -16.452 1.00 0.00 H new ATOM 0 HG SER A 80 2.719 -5.028 -17.934 1.00 0.00 H new ATOM 1262 N GLU A 81 2.353 -3.142 -13.847 1.00 0.00 N ATOM 1263 CA GLU A 81 3.144 -2.102 -13.201 1.00 0.00 C ATOM 1264 C GLU A 81 3.213 -2.373 -11.695 1.00 0.00 C ATOM 1265 O GLU A 81 2.189 -2.471 -11.018 1.00 0.00 O ATOM 1266 CB GLU A 81 2.601 -0.700 -13.468 1.00 0.00 C ATOM 1267 CG GLU A 81 3.705 0.346 -13.553 1.00 0.00 C ATOM 1268 CD GLU A 81 3.183 1.751 -13.769 1.00 0.00 C ATOM 1269 OE1 GLU A 81 2.795 2.073 -14.913 1.00 0.00 O ATOM 1270 OE2 GLU A 81 3.169 2.536 -12.796 1.00 0.00 O ATOM 0 H GLU A 81 1.382 -2.902 -14.045 1.00 0.00 H new ATOM 0 HA GLU A 81 4.146 -2.135 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.036 -0.704 -14.400 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.905 -0.426 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.291 0.321 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.380 0.087 -14.369 1.00 0.00 H new ATOM 1277 N GLU A 82 4.442 -2.462 -11.187 1.00 0.00 N ATOM 1278 CA GLU A 82 4.738 -2.693 -9.773 1.00 0.00 C ATOM 1279 C GLU A 82 4.386 -1.461 -8.951 1.00 0.00 C ATOM 1280 O GLU A 82 4.086 -0.407 -9.511 1.00 0.00 O ATOM 1281 CB GLU A 82 6.204 -3.092 -9.570 1.00 0.00 C ATOM 1282 CG GLU A 82 6.764 -3.961 -10.690 1.00 0.00 C ATOM 1283 CD GLU A 82 7.964 -3.334 -11.368 1.00 0.00 C ATOM 1284 OE1 GLU A 82 7.799 -2.270 -12.001 1.00 0.00 O ATOM 1285 OE2 GLU A 82 9.070 -3.907 -11.266 1.00 0.00 O ATOM 0 H GLU A 82 5.280 -2.373 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 82 4.123 -3.524 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.809 -2.189 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.298 -3.627 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.047 -4.932 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.985 -4.139 -11.431 1.00 0.00 H new ATOM 1292 N PHE A 83 4.430 -1.581 -7.626 1.00 0.00 N ATOM 1293 CA PHE A 83 4.120 -0.459 -6.752 1.00 0.00 C ATOM 1294 C PHE A 83 4.717 -0.640 -5.346 1.00 0.00 C ATOM 1295 O PHE A 83 5.287 -1.678 -5.020 1.00 0.00 O ATOM 1296 CB PHE A 83 2.609 -0.174 -6.688 1.00 0.00 C ATOM 1297 CG PHE A 83 2.162 0.871 -7.679 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.595 2.180 -7.537 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.320 0.564 -8.745 1.00 0.00 C ATOM 1300 CE1 PHE A 83 2.204 3.158 -8.428 1.00 0.00 C ATOM 1301 CE2 PHE A 83 0.928 1.543 -9.638 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.372 2.841 -9.480 1.00 0.00 C ATOM 0 H PHE A 83 4.677 -2.442 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 83 4.594 0.417 -7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.063 -1.099 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.349 0.154 -5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.248 2.438 -6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.970 -0.449 -8.875 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.550 4.173 -8.301 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.274 1.293 -10.460 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.068 3.606 -10.179 1.00 0.00 H new ATOM 1312 N LEU A 84 4.539 0.396 -4.537 1.00 0.00 N ATOM 1313 CA LEU A 84 5.010 0.392 -3.143 1.00 0.00 C ATOM 1314 C LEU A 84 3.898 0.855 -2.211 1.00 0.00 C ATOM 1315 O LEU A 84 3.536 2.030 -2.191 1.00 0.00 O ATOM 1316 CB LEU A 84 6.254 1.275 -2.990 1.00 0.00 C ATOM 1317 CG LEU A 84 6.752 1.492 -1.557 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.991 2.628 -0.894 1.00 0.00 C ATOM 1319 CD2 LEU A 84 6.642 0.220 -0.731 1.00 0.00 C ATOM 0 H LEU A 84 4.070 1.258 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 84 5.286 -0.627 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.063 0.833 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.040 2.249 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 84 7.807 1.763 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.358 2.767 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.140 3.546 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.928 2.387 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.004 0.410 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.600 -0.098 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.243 -0.565 -1.190 1.00 0.00 H new ATOM 1331 N ILE A 85 3.305 -0.101 -1.499 1.00 0.00 N ATOM 1332 CA ILE A 85 2.167 0.200 -0.632 1.00 0.00 C ATOM 1333 C ILE A 85 2.497 0.232 0.878 1.00 0.00 C ATOM 1334 O ILE A 85 2.733 -0.805 1.487 1.00 0.00 O ATOM 1335 CB ILE A 85 1.080 -0.872 -0.862 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.704 -0.944 -2.343 1.00 0.00 C ATOM 1337 CG2 ILE A 85 -0.150 -0.596 -0.008 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.011 0.297 -2.851 1.00 0.00 C ATOM 0 H ILE A 85 3.589 -1.081 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 85 1.838 1.204 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 85 1.487 -1.837 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.606 -1.113 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.054 -1.804 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.900 -1.366 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.129 -0.603 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.562 0.379 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.226 0.175 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.909 0.456 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.667 1.158 -2.723 1.00 0.00 H new ATOM 1350 N ALA A 86 2.321 1.416 1.484 1.00 0.00 N ATOM 1351 CA ALA A 86 2.401 1.576 2.952 1.00 0.00 C ATOM 1352 C ALA A 86 0.945 1.466 3.439 1.00 0.00 C ATOM 1353 O ALA A 86 0.098 2.282 3.074 1.00 0.00 O ATOM 1354 CB ALA A 86 3.035 2.900 3.358 1.00 0.00 C ATOM 0 H ALA A 86 2.122 2.281 0.982 1.00 0.00 H new ATOM 0 HA ALA A 86 3.042 0.818 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.070 2.968 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.047 2.956 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.442 3.724 2.962 1.00 0.00 H new ATOM 1360 N GLY A 87 0.672 0.469 4.296 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.670 0.287 4.854 1.00 0.00 C ATOM 1362 C GLY A 87 -0.765 -0.821 5.916 1.00 0.00 C ATOM 1363 O GLY A 87 -0.138 -1.864 5.793 1.00 0.00 O ATOM 0 H GLY A 87 1.358 -0.216 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.998 1.228 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.361 0.058 4.043 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.573 -0.578 6.954 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.808 -1.529 8.056 1.00 0.00 C ATOM 1369 C LYS A 88 -2.820 -2.609 7.641 1.00 0.00 C ATOM 1370 O LYS A 88 -3.380 -2.553 6.547 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.349 -0.805 9.302 1.00 0.00 C ATOM 1372 CG LYS A 88 -1.378 0.161 9.953 1.00 0.00 C ATOM 1373 CD LYS A 88 -1.554 1.577 9.439 1.00 0.00 C ATOM 1374 CE LYS A 88 -2.719 2.278 10.122 1.00 0.00 C ATOM 1375 NZ LYS A 88 -2.374 2.714 11.505 1.00 0.00 N ATOM 0 H LYS A 88 -2.091 0.295 7.057 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.850 -1.994 8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.250 -0.259 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.644 -1.552 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.522 0.147 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.357 -0.169 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.638 2.143 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.722 1.556 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.017 3.145 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.577 1.606 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.134 3.317 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.263 1.879 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.483 3.251 11.488 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.047 -3.596 8.520 1.00 0.00 N ATOM 1390 CA LEU A 89 -4.011 -4.692 8.236 1.00 0.00 C ATOM 1391 C LEU A 89 -5.215 -4.717 9.184 1.00 0.00 C ATOM 1392 O LEU A 89 -5.084 -4.455 10.380 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.348 -6.072 8.314 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.830 -6.657 7.003 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.339 -8.077 7.241 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.910 -6.658 5.940 1.00 0.00 C ATOM 0 H LEU A 89 -2.586 -3.666 9.427 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.358 -4.481 7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.513 -6.010 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.068 -6.772 8.739 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.007 -6.036 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.969 -8.496 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.535 -8.065 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.161 -8.689 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.512 -7.080 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.754 -7.258 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.242 -5.636 5.758 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.386 -5.105 8.644 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.625 -5.257 9.403 1.00 0.00 C ATOM 1410 C GLN A 90 -8.026 -6.734 9.384 1.00 0.00 C ATOM 1411 O GLN A 90 -8.450 -7.252 8.351 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.737 -4.384 8.814 1.00 0.00 C ATOM 1413 CG GLN A 90 -9.751 -3.911 9.841 1.00 0.00 C ATOM 1414 CD GLN A 90 -11.049 -4.686 9.771 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -11.750 -4.560 8.650 1.00 0.00 O flip ATOM 1416 NE2 GLN A 90 -11.417 -5.392 10.709 1.00 0.00 N flip ATOM 0 H GLN A 90 -6.491 -5.323 7.653 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.468 -4.931 10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.288 -3.515 8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.255 -4.946 8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.326 -4.010 10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.955 -2.852 9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.846 -5.459 11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.293 -5.910 10.644 1.00 0.00 H new ATOM 1425 N ASP A 91 -7.906 -7.398 10.537 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.271 -8.820 10.659 1.00 0.00 C ATOM 1427 C ASP A 91 -7.950 -9.612 9.389 1.00 0.00 C ATOM 1428 O ASP A 91 -8.644 -10.569 9.046 1.00 0.00 O ATOM 1429 CB ASP A 91 -9.758 -8.960 10.978 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.025 -9.022 12.469 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -9.701 -8.043 13.171 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -10.556 -10.053 12.933 1.00 0.00 O ATOM 0 H ASP A 91 -7.560 -6.978 11.400 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.674 -9.232 11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.300 -8.117 10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.145 -9.862 10.504 1.00 0.00 H new ATOM 1437 N GLY A 92 -6.916 -9.185 8.687 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.558 -9.850 7.455 1.00 0.00 C ATOM 1439 C GLY A 92 -6.413 -8.874 6.317 1.00 0.00 C ATOM 1440 O GLY A 92 -5.410 -8.871 5.610 1.00 0.00 O ATOM 0 H GLY A 92 -6.322 -8.397 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.622 -10.391 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.319 -10.589 7.206 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.490 -8.124 6.072 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.564 -7.210 4.941 1.00 0.00 C ATOM 1446 C LEU A 93 -6.724 -5.963 5.144 1.00 0.00 C ATOM 1447 O LEU A 93 -6.723 -5.351 6.207 1.00 0.00 O ATOM 1448 CB LEU A 93 -9.019 -6.789 4.724 1.00 0.00 C ATOM 1449 CG LEU A 93 -10.045 -7.916 4.823 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -11.452 -7.350 4.953 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -9.939 -8.833 3.616 1.00 0.00 C ATOM 0 H LEU A 93 -8.329 -8.136 6.652 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.173 -7.740 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.272 -6.024 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.104 -6.328 3.740 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.834 -8.501 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.168 -8.169 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.515 -6.735 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.681 -6.740 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.676 -9.632 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.126 -8.261 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.939 -9.265 3.574 1.00 0.00 H new ATOM 1463 N LEU A 94 -6.017 -5.605 4.081 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.150 -4.437 4.061 1.00 0.00 C ATOM 1465 C LEU A 94 -5.966 -3.157 4.058 1.00 0.00 C ATOM 1466 O LEU A 94 -7.114 -3.142 3.620 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.232 -4.497 2.838 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.247 -3.335 2.685 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.193 -3.368 3.783 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.589 -3.387 1.314 1.00 0.00 C ATOM 0 H LEU A 94 -6.030 -6.122 3.202 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.538 -4.438 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.664 -5.427 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.853 -4.542 1.943 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.799 -2.400 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.505 -2.533 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.678 -3.290 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.640 -4.305 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.890 -2.557 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.052 -4.329 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.353 -3.313 0.541 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.364 -2.085 4.551 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.031 -0.796 4.600 1.00 0.00 C ATOM 1484 C HIS A 95 -5.070 0.306 4.203 1.00 0.00 C ATOM 1485 O HIS A 95 -3.901 0.291 4.589 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.609 -0.534 5.990 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.884 -1.274 6.252 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.174 -2.595 6.181 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -9.053 -0.648 6.633 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.497 -2.740 6.515 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.005 -1.552 6.785 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.414 -2.084 4.923 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.858 -0.809 3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.872 -0.817 6.741 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.787 0.535 6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.172 0.415 6.784 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.036 -3.675 6.551 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.968 -1.364 7.063 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.563 1.251 3.418 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.722 2.352 2.955 1.00 0.00 C ATOM 1502 C ILE A 96 -5.535 3.593 2.598 1.00 0.00 C ATOM 1503 O ILE A 96 -6.765 3.582 2.627 1.00 0.00 O ATOM 1504 CB ILE A 96 -3.865 1.939 1.737 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -4.739 1.256 0.690 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -2.713 1.031 2.160 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -5.199 -0.124 1.091 1.00 0.00 C ATOM 0 H ILE A 96 -6.528 1.282 3.090 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.066 2.598 3.790 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.433 2.838 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.612 1.879 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.183 1.187 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.126 0.755 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.077 1.558 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.112 0.131 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.815 -0.547 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.332 -0.763 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.783 -0.060 2.009 1.00 0.00 H new ATOM 1519 N THR A 97 -4.812 4.676 2.326 1.00 0.00 N ATOM 1520 CA THR A 97 -5.396 5.981 2.023 1.00 0.00 C ATOM 1521 C THR A 97 -5.035 6.479 0.611 1.00 0.00 C ATOM 1522 O THR A 97 -4.285 5.807 -0.089 1.00 0.00 O ATOM 1523 CB THR A 97 -5.070 6.968 3.146 1.00 0.00 C ATOM 1524 OG1 THR A 97 -3.818 6.659 3.745 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.135 6.947 4.227 1.00 0.00 C ATOM 0 H THR A 97 -3.792 4.673 2.309 1.00 0.00 H new ATOM 0 HA THR A 97 -6.481 5.884 1.992 1.00 0.00 H new ATOM 0 HB THR A 97 -5.031 7.959 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.629 7.303 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 97 -5.873 7.659 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.098 7.220 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.200 5.946 4.654 1.00 0.00 H new ATOM 1533 N THR A 98 -5.282 7.768 0.330 1.00 0.00 N ATOM 1534 CA THR A 98 -4.679 8.426 -0.849 1.00 0.00 C ATOM 1535 C THR A 98 -3.486 9.295 -0.314 1.00 0.00 C ATOM 1536 O THR A 98 -2.879 10.095 -1.026 1.00 0.00 O ATOM 1537 CB THR A 98 -5.687 9.275 -1.623 1.00 0.00 C ATOM 1538 OG1 THR A 98 -5.026 10.113 -2.554 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.533 10.146 -0.743 1.00 0.00 C ATOM 0 H THR A 98 -5.885 8.371 0.890 1.00 0.00 H new ATOM 0 HA THR A 98 -4.332 7.677 -1.561 1.00 0.00 H new ATOM 0 HB THR A 98 -6.338 8.561 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.062 10.099 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.226 10.721 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.096 9.523 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.893 10.828 -0.183 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.286 9.141 1.009 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.298 9.929 1.757 1.00 0.00 C ATOM 1549 C CYS A 99 -1.183 9.114 2.375 1.00 0.00 C ATOM 1550 O CYS A 99 -0.095 9.628 2.628 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.002 10.768 2.825 1.00 0.00 C ATOM 1552 SG CYS A 99 -3.239 12.501 2.375 1.00 0.00 S ATOM 0 H CYS A 99 -3.801 8.472 1.581 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.813 10.575 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -3.975 10.324 3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -2.423 10.721 3.747 1.00 0.00 H new ATOM 1557 N SER A 100 -1.445 7.862 2.605 1.00 0.00 N ATOM 1558 CA SER A 100 -0.435 6.983 3.186 1.00 0.00 C ATOM 1559 C SER A 100 0.717 6.846 2.206 1.00 0.00 C ATOM 1560 O SER A 100 0.512 6.968 0.998 1.00 0.00 O ATOM 1561 CB SER A 100 -1.020 5.609 3.513 1.00 0.00 C ATOM 1562 OG SER A 100 -0.978 5.358 4.907 1.00 0.00 O ATOM 0 H SER A 100 -2.340 7.414 2.406 1.00 0.00 H new ATOM 0 HA SER A 100 -0.079 7.418 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.050 5.555 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.462 4.837 2.984 1.00 0.00 H new ATOM 0 HG SER A 100 -1.359 4.474 5.092 1.00 0.00 H new ATOM 1568 N PHE A 101 1.932 6.607 2.699 1.00 0.00 N ATOM 1569 CA PHE A 101 3.056 6.479 1.785 1.00 0.00 C ATOM 1570 C PHE A 101 2.742 5.389 0.766 1.00 0.00 C ATOM 1571 O PHE A 101 2.823 4.205 1.083 1.00 0.00 O ATOM 1572 CB PHE A 101 4.343 6.142 2.538 1.00 0.00 C ATOM 1573 CG PHE A 101 5.591 6.313 1.711 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.796 5.552 0.570 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.558 7.243 2.072 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.938 5.713 -0.193 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.700 7.408 1.311 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.890 6.642 0.177 1.00 0.00 C ATOM 0 H PHE A 101 2.155 6.502 3.689 1.00 0.00 H new ATOM 0 HA PHE A 101 3.210 7.431 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.413 6.777 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.289 5.112 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.055 4.825 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.416 7.844 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.085 5.112 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.443 8.135 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.782 6.770 -0.419 1.00 0.00 H new ATOM 1588 N VAL A 102 2.365 5.775 -0.452 1.00 0.00 N ATOM 1589 CA VAL A 102 2.020 4.787 -1.472 1.00 0.00 C ATOM 1590 C VAL A 102 2.390 5.242 -2.887 1.00 0.00 C ATOM 1591 O VAL A 102 1.706 6.081 -3.471 1.00 0.00 O ATOM 1592 CB VAL A 102 0.504 4.495 -1.456 1.00 0.00 C ATOM 1593 CG1 VAL A 102 0.167 3.393 -2.439 1.00 0.00 C ATOM 1594 CG2 VAL A 102 0.013 4.137 -0.057 1.00 0.00 C ATOM 0 H VAL A 102 2.291 6.747 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 102 2.594 3.894 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.012 5.406 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.905 3.200 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.458 3.700 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.706 2.485 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.058 3.939 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.537 3.249 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.209 4.968 0.621 1.00 0.00 H new ATOM 1604 N ALA A 103 3.475 4.692 -3.432 1.00 0.00 N ATOM 1605 CA ALA A 103 3.912 5.072 -4.785 1.00 0.00 C ATOM 1606 C ALA A 103 4.799 4.005 -5.439 1.00 0.00 C ATOM 1607 O ALA A 103 5.165 3.020 -4.806 1.00 0.00 O ATOM 1608 CB ALA A 103 4.629 6.413 -4.742 1.00 0.00 C ATOM 0 H ALA A 103 4.061 3.995 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 103 3.019 5.158 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.949 6.687 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.952 7.175 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.500 6.339 -4.091 1.00 0.00 H new ATOM 1614 N PRO A 104 5.134 4.178 -6.737 1.00 0.00 N ATOM 1615 CA PRO A 104 5.958 3.221 -7.500 1.00 0.00 C ATOM 1616 C PRO A 104 7.320 2.935 -6.924 1.00 0.00 C ATOM 1617 O PRO A 104 8.169 3.826 -6.868 1.00 0.00 O ATOM 1618 CB PRO A 104 6.185 3.925 -8.836 1.00 0.00 C ATOM 1619 CG PRO A 104 5.004 4.814 -8.986 1.00 0.00 C ATOM 1620 CD PRO A 104 4.704 5.308 -7.592 1.00 0.00 C ATOM 0 HA PRO A 104 5.442 2.261 -7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.114 4.495 -8.833 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.252 3.210 -9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.218 5.643 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.155 4.274 -9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.253 6.221 -7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.645 5.532 -7.462 1.00 0.00 H new ATOM 1628 N TRP A 105 7.568 1.674 -6.586 1.00 0.00 N ATOM 1629 CA TRP A 105 8.888 1.286 -6.134 1.00 0.00 C ATOM 1630 C TRP A 105 9.849 1.916 -7.100 1.00 0.00 C ATOM 1631 O TRP A 105 10.793 2.611 -6.734 1.00 0.00 O ATOM 1632 CB TRP A 105 9.047 -0.223 -6.217 1.00 0.00 C ATOM 1633 CG TRP A 105 10.308 -0.753 -5.619 1.00 0.00 C ATOM 1634 CD1 TRP A 105 11.262 -1.469 -6.272 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.755 -0.628 -4.261 1.00 0.00 C ATOM 1636 NE1 TRP A 105 12.278 -1.793 -5.417 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.993 -1.289 -4.174 1.00 0.00 C ATOM 1638 CE3 TRP A 105 10.235 -0.019 -3.112 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.717 -1.357 -2.987 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.961 -0.086 -1.936 1.00 0.00 C ATOM 1641 CH2 TRP A 105 12.187 -0.751 -1.888 1.00 0.00 C ATOM 0 H TRP A 105 6.882 0.919 -6.617 1.00 0.00 H new ATOM 0 HA TRP A 105 9.058 1.598 -5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 105 8.199 -0.692 -5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 105 9.004 -0.522 -7.264 1.00 0.00 H new ATOM 0 HD1 TRP A 105 11.223 -1.742 -7.316 1.00 0.00 H new ATOM 0 HE1 TRP A 105 13.113 -2.324 -5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 105 9.285 0.493 -3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.665 -1.872 -2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.574 0.383 -1.043 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.730 -0.786 -0.955 1.00 0.00 H new ATOM 1652 N ASN A 106 9.568 1.638 -8.365 1.00 0.00 N ATOM 1653 CA ASN A 106 10.328 2.117 -9.484 1.00 0.00 C ATOM 1654 C ASN A 106 10.412 3.651 -9.564 1.00 0.00 C ATOM 1655 O ASN A 106 10.841 4.202 -10.577 1.00 0.00 O ATOM 1656 CB ASN A 106 9.769 1.568 -10.796 1.00 0.00 C ATOM 1657 CG ASN A 106 10.072 0.098 -10.999 1.00 0.00 C ATOM 1658 OD1 ASN A 106 9.602 -0.756 -10.246 1.00 0.00 O ATOM 1659 ND2 ASN A 106 10.856 -0.205 -12.025 1.00 0.00 N ATOM 0 H ASN A 106 8.778 1.054 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 106 11.342 1.750 -9.326 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.689 1.717 -10.815 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.184 2.137 -11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.092 -1.179 -12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.223 0.536 -12.623 1.00 0.00 H new ATOM 1666 N SER A 107 10.075 4.325 -8.477 1.00 0.00 N ATOM 1667 CA SER A 107 10.186 5.784 -8.409 1.00 0.00 C ATOM 1668 C SER A 107 11.006 6.193 -7.187 1.00 0.00 C ATOM 1669 O SER A 107 11.343 7.361 -6.997 1.00 0.00 O ATOM 1670 CB SER A 107 8.811 6.457 -8.388 1.00 0.00 C ATOM 1671 OG SER A 107 8.931 7.851 -8.610 1.00 0.00 O ATOM 0 H SER A 107 9.721 3.890 -7.625 1.00 0.00 H new ATOM 0 HA SER A 107 10.699 6.123 -9.309 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.173 6.016 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.327 6.277 -7.428 1.00 0.00 H new ATOM 0 HG SER A 107 9.667 8.206 -8.069 1.00 0.00 H new ATOM 1677 N LEU A 108 11.296 5.199 -6.372 1.00 0.00 N ATOM 1678 CA LEU A 108 12.046 5.360 -5.156 1.00 0.00 C ATOM 1679 C LEU A 108 13.523 5.596 -5.399 1.00 0.00 C ATOM 1680 O LEU A 108 14.108 5.123 -6.373 1.00 0.00 O ATOM 1681 CB LEU A 108 11.844 4.120 -4.303 1.00 0.00 C ATOM 1682 CG LEU A 108 10.714 4.184 -3.256 1.00 0.00 C ATOM 1683 CD1 LEU A 108 10.028 5.540 -3.240 1.00 0.00 C ATOM 1684 CD2 LEU A 108 9.695 3.099 -3.511 1.00 0.00 C ATOM 0 H LEU A 108 11.007 4.237 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 108 11.678 6.249 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.648 3.278 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.779 3.906 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 108 11.173 4.030 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.239 5.540 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.757 6.314 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.595 5.740 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.905 3.159 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.265 3.230 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.179 2.124 -3.450 1.00 0.00 H new ATOM 1696 N SER A 109 14.107 6.322 -4.462 1.00 0.00 N ATOM 1697 CA SER A 109 15.520 6.636 -4.497 1.00 0.00 C ATOM 1698 C SER A 109 16.316 5.396 -4.257 1.00 0.00 C ATOM 1699 O SER A 109 16.195 4.754 -3.227 1.00 0.00 O ATOM 1700 CB SER A 109 15.881 7.664 -3.427 1.00 0.00 C ATOM 1701 OG SER A 109 14.888 8.674 -3.296 1.00 0.00 O ATOM 0 H SER A 109 13.614 6.709 -3.657 1.00 0.00 H new ATOM 0 HA SER A 109 15.749 7.051 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.012 7.159 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.836 8.126 -3.677 1.00 0.00 H new ATOM 0 HG SER A 109 15.158 9.309 -2.600 1.00 0.00 H new ATOM 1707 N LEU A 110 17.122 5.068 -5.232 1.00 0.00 N ATOM 1708 CA LEU A 110 17.966 3.898 -5.160 1.00 0.00 C ATOM 1709 C LEU A 110 18.447 3.625 -3.735 1.00 0.00 C ATOM 1710 O LEU A 110 18.625 2.475 -3.337 1.00 0.00 O ATOM 1711 CB LEU A 110 19.161 4.112 -6.078 1.00 0.00 C ATOM 1712 CG LEU A 110 19.771 5.533 -6.160 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.359 6.222 -7.449 1.00 0.00 C ATOM 1714 CD2 LEU A 110 19.441 6.420 -4.977 1.00 0.00 C ATOM 0 H LEU A 110 17.214 5.600 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 110 17.386 3.030 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.950 3.428 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.865 3.817 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 110 20.851 5.384 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.799 7.219 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.709 5.639 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.273 6.303 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 110 19.906 7.396 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.360 6.540 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.819 5.963 -4.063 1.00 0.00 H new ATOM 1726 N ALA A 111 18.604 4.687 -2.968 1.00 0.00 N ATOM 1727 CA ALA A 111 18.997 4.592 -1.588 1.00 0.00 C ATOM 1728 C ALA A 111 17.775 4.346 -0.743 1.00 0.00 C ATOM 1729 O ALA A 111 17.801 3.580 0.213 1.00 0.00 O ATOM 1730 CB ALA A 111 19.737 5.841 -1.189 1.00 0.00 C ATOM 0 H ALA A 111 18.460 5.643 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 111 19.676 3.753 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.035 5.769 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.624 5.953 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.088 6.707 -1.323 1.00 0.00 H new ATOM 1736 N GLN A 112 16.691 4.988 -1.119 1.00 0.00 N ATOM 1737 CA GLN A 112 15.435 4.841 -0.434 1.00 0.00 C ATOM 1738 C GLN A 112 14.689 3.647 -0.983 1.00 0.00 C ATOM 1739 O GLN A 112 13.661 3.236 -0.455 1.00 0.00 O ATOM 1740 CB GLN A 112 14.596 6.104 -0.633 1.00 0.00 C ATOM 1741 CG GLN A 112 13.281 6.092 0.119 1.00 0.00 C ATOM 1742 CD GLN A 112 12.603 7.449 0.125 1.00 0.00 C ATOM 1743 OE1 GLN A 112 12.608 8.155 1.134 1.00 0.00 O ATOM 1744 NE2 GLN A 112 12.015 7.822 -1.006 1.00 0.00 N ATOM 0 H GLN A 112 16.660 5.628 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 112 15.620 4.690 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.178 6.969 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.394 6.230 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.614 5.358 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.456 5.773 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.035 7.206 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.544 8.725 -1.062 1.00 0.00 H new ATOM 1753 N ARG A 113 15.330 2.989 -1.939 1.00 0.00 N ATOM 1754 CA ARG A 113 14.843 1.729 -2.419 1.00 0.00 C ATOM 1755 C ARG A 113 15.432 0.735 -1.449 1.00 0.00 C ATOM 1756 O ARG A 113 14.743 -0.178 -0.998 1.00 0.00 O ATOM 1757 CB ARG A 113 15.295 1.435 -3.837 1.00 0.00 C ATOM 1758 CG ARG A 113 14.221 0.756 -4.663 1.00 0.00 C ATOM 1759 CD ARG A 113 13.919 1.522 -5.930 1.00 0.00 C ATOM 1760 NE ARG A 113 14.249 0.756 -7.135 1.00 0.00 N ATOM 1761 CZ ARG A 113 15.470 0.310 -7.434 1.00 0.00 C ATOM 1762 NH1 ARG A 113 16.505 0.591 -6.652 1.00 0.00 N ATOM 1763 NH2 ARG A 113 15.662 -0.407 -8.531 1.00 0.00 N ATOM 0 H ARG A 113 16.185 3.316 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 113 13.754 1.701 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.586 2.367 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.181 0.801 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.542 -0.254 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.311 0.662 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.862 1.787 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.481 2.456 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 113 13.494 0.550 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.371 1.154 -5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 113 17.434 0.244 -6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.876 -0.618 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.595 -0.748 -8.760 1.00 0.00 H new ATOM 1777 N ARG A 114 16.687 0.936 -1.070 1.00 0.00 N ATOM 1778 CA ARG A 114 17.265 0.050 -0.085 1.00 0.00 C ATOM 1779 C ARG A 114 16.659 0.397 1.261 1.00 0.00 C ATOM 1780 O ARG A 114 16.246 -0.473 2.024 1.00 0.00 O ATOM 1781 CB ARG A 114 18.802 0.129 -0.023 1.00 0.00 C ATOM 1782 CG ARG A 114 19.360 1.199 0.895 1.00 0.00 C ATOM 1783 CD ARG A 114 19.213 0.793 2.350 1.00 0.00 C ATOM 1784 NE ARG A 114 20.222 1.413 3.202 1.00 0.00 N ATOM 1785 CZ ARG A 114 20.303 2.726 3.416 1.00 0.00 C ATOM 1786 NH1 ARG A 114 19.420 3.551 2.863 1.00 0.00 N ATOM 1787 NH2 ARG A 114 21.260 3.215 4.190 1.00 0.00 N ATOM 0 H ARG A 114 17.299 1.675 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 114 17.037 -0.977 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 114 19.186 -0.839 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 114 19.181 0.304 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.412 1.369 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.839 2.141 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.221 1.072 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.288 -0.291 2.432 1.00 0.00 H new ATOM 0 HE ARG A 114 20.904 0.808 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 114 18.676 3.180 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 114 19.486 4.555 3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 114 21.936 2.586 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.321 4.220 4.353 1.00 0.00 H new ATOM 1801 N GLY A 115 16.634 1.701 1.541 1.00 0.00 N ATOM 1802 CA GLY A 115 16.101 2.183 2.799 1.00 0.00 C ATOM 1803 C GLY A 115 14.836 1.464 3.168 1.00 0.00 C ATOM 1804 O GLY A 115 14.649 1.180 4.350 1.00 0.00 O ATOM 0 H GLY A 115 16.975 2.430 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.842 2.046 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.906 3.253 2.727 1.00 0.00 H new ATOM 1808 N PHE A 116 13.973 1.115 2.240 1.00 0.00 N ATOM 1809 CA PHE A 116 12.801 0.383 2.680 1.00 0.00 C ATOM 1810 C PHE A 116 13.172 -1.077 2.848 1.00 0.00 C ATOM 1811 O PHE A 116 12.974 -1.668 3.910 1.00 0.00 O ATOM 1812 CB PHE A 116 11.634 0.524 1.695 1.00 0.00 C ATOM 1813 CG PHE A 116 10.870 1.812 1.818 1.00 0.00 C ATOM 1814 CD1 PHE A 116 11.422 3.001 1.383 1.00 0.00 C ATOM 1815 CD2 PHE A 116 9.599 1.830 2.362 1.00 0.00 C ATOM 1816 CE1 PHE A 116 10.722 4.187 1.488 1.00 0.00 C ATOM 1817 CE2 PHE A 116 8.892 3.011 2.473 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.454 4.192 2.036 1.00 0.00 C ATOM 0 H PHE A 116 14.046 1.308 1.241 1.00 0.00 H new ATOM 0 HA PHE A 116 12.469 0.800 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.020 0.440 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.946 -0.308 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.414 3.003 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.153 0.908 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.165 5.109 1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.901 3.010 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 116 8.905 5.118 2.122 1.00 0.00 H new ATOM 1828 N THR A 117 13.686 -1.656 1.780 1.00 0.00 N ATOM 1829 CA THR A 117 14.061 -3.057 1.786 1.00 0.00 C ATOM 1830 C THR A 117 14.980 -3.412 2.952 1.00 0.00 C ATOM 1831 O THR A 117 15.154 -4.592 3.261 1.00 0.00 O ATOM 1832 CB THR A 117 14.730 -3.436 0.459 1.00 0.00 C ATOM 1833 OG1 THR A 117 14.622 -4.830 0.212 1.00 0.00 O ATOM 1834 CG2 THR A 117 16.195 -3.083 0.404 1.00 0.00 C ATOM 0 H THR A 117 13.854 -1.177 0.895 1.00 0.00 H new ATOM 0 HA THR A 117 13.142 -3.630 1.910 1.00 0.00 H new ATOM 0 HB THR A 117 14.199 -2.858 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.744 -5.321 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.605 -3.379 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.315 -2.008 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.726 -3.607 1.199 1.00 0.00 H new ATOM 1842 N LYS A 118 15.623 -2.416 3.558 1.00 0.00 N ATOM 1843 CA LYS A 118 16.573 -2.710 4.628 1.00 0.00 C ATOM 1844 C LYS A 118 16.562 -1.776 5.839 1.00 0.00 C ATOM 1845 O LYS A 118 16.820 -2.204 6.964 1.00 0.00 O ATOM 1846 CB LYS A 118 17.984 -2.654 4.013 1.00 0.00 C ATOM 1847 CG LYS A 118 19.022 -1.879 4.823 1.00 0.00 C ATOM 1848 CD LYS A 118 20.426 -2.426 4.602 1.00 0.00 C ATOM 1849 CE LYS A 118 21.076 -1.834 3.360 1.00 0.00 C ATOM 1850 NZ LYS A 118 21.591 -2.890 2.446 1.00 0.00 N ATOM 0 H LYS A 118 15.509 -1.427 3.336 1.00 0.00 H new ATOM 0 HA LYS A 118 16.276 -3.684 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 118 18.343 -3.674 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.912 -2.205 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.992 -0.826 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.772 -1.933 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 118 21.042 -2.207 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.382 -3.511 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.351 -1.217 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 118 21.895 -1.179 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.026 -2.446 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.302 -3.463 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 20.805 -3.500 2.143 1.00 0.00 H new ATOM 1864 N THR A 119 16.497 -0.498 5.566 1.00 0.00 N ATOM 1865 CA THR A 119 16.731 0.507 6.598 1.00 0.00 C ATOM 1866 C THR A 119 15.570 1.169 7.310 1.00 0.00 C ATOM 1867 O THR A 119 15.815 1.880 8.285 1.00 0.00 O ATOM 1868 CB THR A 119 17.485 1.607 5.914 1.00 0.00 C ATOM 1869 OG1 THR A 119 17.788 1.209 4.603 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.804 1.944 6.544 1.00 0.00 C ATOM 0 H THR A 119 16.285 -0.119 4.643 1.00 0.00 H new ATOM 0 HA THR A 119 17.220 -0.049 7.398 1.00 0.00 H new ATOM 0 HB THR A 119 16.834 2.479 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 119 17.935 2.002 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 119 19.279 2.749 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.644 2.263 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 119 19.448 1.065 6.532 1.00 0.00 H new ATOM 1878 N TYR A 120 14.359 1.083 6.831 1.00 0.00 N ATOM 1879 CA TYR A 120 13.322 1.853 7.482 1.00 0.00 C ATOM 1880 C TYR A 120 12.575 1.136 8.611 1.00 0.00 C ATOM 1881 O TYR A 120 12.135 1.758 9.570 1.00 0.00 O ATOM 1882 CB TYR A 120 12.375 2.388 6.426 1.00 0.00 C ATOM 1883 CG TYR A 120 13.020 3.405 5.505 1.00 0.00 C ATOM 1884 CD1 TYR A 120 13.858 4.392 6.013 1.00 0.00 C ATOM 1885 CD2 TYR A 120 12.786 3.389 4.137 1.00 0.00 C ATOM 1886 CE1 TYR A 120 14.442 5.330 5.186 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.370 4.325 3.303 1.00 0.00 C ATOM 1888 CZ TYR A 120 14.197 5.292 3.833 1.00 0.00 C ATOM 1889 OH TYR A 120 14.775 6.227 3.006 1.00 0.00 O ATOM 0 H TYR A 120 14.069 0.519 6.032 1.00 0.00 H new ATOM 0 HA TYR A 120 13.822 2.672 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.998 1.556 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.515 2.845 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 120 14.055 4.425 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.138 2.634 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 120 15.088 6.090 5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 120 13.179 4.298 2.240 1.00 0.00 H new ATOM 0 HH TYR A 120 15.560 5.836 2.569 1.00 0.00 H new ATOM 1899 N THR A 121 12.399 -0.160 8.477 1.00 0.00 N ATOM 1900 CA THR A 121 11.654 -0.951 9.466 1.00 0.00 C ATOM 1901 C THR A 121 12.158 -0.827 10.910 1.00 0.00 C ATOM 1902 O THR A 121 11.450 -1.011 11.900 1.00 0.00 O ATOM 1903 CB THR A 121 11.618 -2.437 9.079 1.00 0.00 C ATOM 1904 OG1 THR A 121 12.144 -3.248 10.122 1.00 0.00 O ATOM 1905 CG2 THR A 121 12.369 -2.757 7.803 1.00 0.00 C ATOM 0 H THR A 121 12.759 -0.703 7.692 1.00 0.00 H new ATOM 0 HA THR A 121 10.652 -0.521 9.446 1.00 0.00 H new ATOM 0 HB THR A 121 10.564 -2.657 8.909 1.00 0.00 H new ATOM 0 HG1 THR A 121 12.109 -4.190 9.853 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.297 -3.825 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 121 11.934 -2.198 6.975 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.417 -2.479 7.918 1.00 0.00 H new ATOM 1913 N VAL A 122 13.436 -0.432 10.917 1.00 0.00 N ATOM 1914 CA VAL A 122 14.164 -0.169 12.152 1.00 0.00 C ATOM 1915 C VAL A 122 14.695 1.263 12.208 1.00 0.00 C ATOM 1916 O VAL A 122 14.916 1.805 13.290 1.00 0.00 O ATOM 1917 CB VAL A 122 15.348 -1.127 12.339 1.00 0.00 C ATOM 1918 CG1 VAL A 122 15.804 -1.115 13.790 1.00 0.00 C ATOM 1919 CG2 VAL A 122 14.994 -2.542 11.898 1.00 0.00 C ATOM 0 H VAL A 122 13.987 -0.288 10.071 1.00 0.00 H new ATOM 0 HA VAL A 122 13.442 -0.323 12.954 1.00 0.00 H new ATOM 0 HB VAL A 122 16.167 -0.782 11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.645 -1.798 13.913 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.112 -0.107 14.066 1.00 0.00 H new ATOM 0 HG13 VAL A 122 14.982 -1.432 14.432 1.00 0.00 H new ATOM 0 HG21 VAL A 122 15.855 -3.195 12.044 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.156 -2.909 12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 122 14.718 -2.536 10.844 1.00 0.00 H new ATOM 1929 N GLY A 123 14.917 1.865 11.040 1.00 0.00 N ATOM 1930 CA GLY A 123 15.438 3.221 10.989 1.00 0.00 C ATOM 1931 C GLY A 123 14.637 4.098 10.057 1.00 0.00 C ATOM 1932 O GLY A 123 15.168 5.010 9.423 1.00 0.00 O ATOM 0 H GLY A 123 14.745 1.438 10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.428 3.651 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.478 3.198 10.662 1.00 0.00 H new ATOM 1936 N CYS A 124 13.352 3.793 9.969 1.00 0.00 N ATOM 1937 CA CYS A 124 12.433 4.519 9.098 1.00 0.00 C ATOM 1938 C CYS A 124 12.698 6.025 9.114 1.00 0.00 C ATOM 1939 O CYS A 124 12.615 6.684 8.080 1.00 0.00 O ATOM 1940 CB CYS A 124 11.003 4.198 9.505 1.00 0.00 C ATOM 1941 SG CYS A 124 10.567 4.730 11.188 1.00 0.00 S ATOM 0 H CYS A 124 12.915 3.038 10.497 1.00 0.00 H new ATOM 0 HA CYS A 124 12.594 4.194 8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.321 4.672 8.799 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.848 3.122 9.425 1.00 0.00 H new ATOM 1946 N GLU A 125 13.034 6.546 10.292 1.00 0.00 N ATOM 1947 CA GLU A 125 13.343 7.969 10.484 1.00 0.00 C ATOM 1948 C GLU A 125 14.024 8.584 9.266 1.00 0.00 C ATOM 1949 O GLU A 125 15.250 8.637 9.181 1.00 0.00 O ATOM 1950 CB GLU A 125 14.231 8.149 11.713 1.00 0.00 C ATOM 1951 CG GLU A 125 15.200 7.001 11.929 1.00 0.00 C ATOM 1952 CD GLU A 125 15.775 6.989 13.332 1.00 0.00 C ATOM 1953 OE1 GLU A 125 16.437 7.979 13.711 1.00 0.00 O ATOM 1954 OE2 GLU A 125 15.560 5.993 14.054 1.00 0.00 O ATOM 0 H GLU A 125 13.101 5.994 11.147 1.00 0.00 H new ATOM 0 HA GLU A 125 12.395 8.488 10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 125 14.795 9.077 11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 125 13.600 8.254 12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 125 14.689 6.057 11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.013 7.074 11.206 1.00 0.00 H new ATOM 1961 N GLU A 126 13.206 9.048 8.330 1.00 0.00 N ATOM 1962 CA GLU A 126 13.696 9.667 7.105 1.00 0.00 C ATOM 1963 C GLU A 126 14.853 10.629 7.387 1.00 0.00 C ATOM 1964 O GLU A 126 14.813 11.311 8.434 1.00 0.00 O ATOM 1965 CB GLU A 126 12.562 10.417 6.402 1.00 0.00 C ATOM 1966 CG GLU A 126 12.138 11.695 7.112 1.00 0.00 C ATOM 1967 CD GLU A 126 11.618 11.442 8.513 1.00 0.00 C ATOM 1968 OE1 GLU A 126 10.433 11.088 8.649 1.00 0.00 O ATOM 1969 OE2 GLU A 126 12.397 11.602 9.475 1.00 0.00 O ATOM 1970 OXT GLU A 126 15.783 10.695 6.558 1.00 0.00 O ATOM 0 H GLU A 126 12.189 9.006 8.398 1.00 0.00 H new ATOM 0 HA GLU A 126 14.064 8.872 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.876 10.663 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 126 11.699 9.756 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 126 12.987 12.377 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 126 11.365 12.192 6.526 1.00 0.00 H new TER 1977 GLU A 126