USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 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 30 ASN :FLIP amide:sc= -2.26 F(o=-4.1!,f=-2.4) USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 32 HIS : no HD1:sc= -0.16 K(o=-2.4,f=-3) USER MOD Single : A 1 MET CE :methyl 140:sc= -0.163 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ -172:sc= -1.21 (180deg=-1.71) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.374 F(o=-1.9,f=-0.37) USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0365 (180deg=-0.366) USER MOD Single : A 14 ASN : amide:sc= -1.48 K(o=-1.5,f=-5.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 19 ASN : amide:sc= -9.87! C(o=-9.9!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= -4.79! (180deg=-6.55!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 45 THR OG1 : rot -84:sc= -1.1 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.128) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -171:sc= -0.856! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.29) USER MOD Single : A 82 GLN : amide:sc= -13.8! C(o=-14!,f=-24!) USER MOD Single : A 84 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.3!) USER MOD Single : A 86 ASN : amide:sc=-0.00117 K(o=-0.0012,f=-2.2!) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.0302 (180deg=-0.384) USER MOD Single : A 88 ASN : amide:sc= -0.0614 K(o=-0.061,f=-2!) USER MOD Single : A 89 SER OG : rot -26:sc= 0.861 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= -0.543 (180deg=-0.655) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS :FLIP no HD1:sc= 0.00922 F(o=-1.3,f=0.0092) USER MOD Single : A 105 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.9) USER MOD Single : A 106 HIS : no HD1:sc= -0.995 K(o=-1,f=-1.7) USER MOD Single : A 107 HIS : no HD1:sc=-0.00188 X(o=-0.0019,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-0.93) USER MOD Single : A 109 HIS : no HD1:sc= -1.99! C(o=-2!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.101 8.548 -9.910 1.00 0.00 N ATOM 2 CA MET A 1 -10.337 9.310 -10.245 1.00 0.00 C ATOM 3 C MET A 1 -11.553 8.433 -9.945 1.00 0.00 C ATOM 4 O MET A 1 -12.475 8.838 -9.268 1.00 0.00 O ATOM 5 CB MET A 1 -10.323 9.676 -11.732 1.00 0.00 C ATOM 6 CG MET A 1 -9.249 10.735 -11.987 1.00 0.00 C ATOM 7 SD MET A 1 -9.155 11.087 -13.761 1.00 0.00 S ATOM 8 CE MET A 1 -10.793 11.836 -13.943 1.00 0.00 C ATOM 0 H1 MET A 1 -8.276 9.177 -9.980 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.173 8.178 -8.941 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.990 7.756 -10.575 1.00 0.00 H new ATOM 0 HA MET A 1 -10.384 10.223 -9.651 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.124 8.789 -12.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.300 10.054 -12.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.484 11.646 -11.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.283 10.383 -11.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.729 12.692 -14.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.485 11.102 -14.355 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.152 12.167 -12.968 1.00 0.00 H new ATOM 20 N GLU A 2 -11.545 7.227 -10.441 1.00 0.00 N ATOM 21 CA GLU A 2 -12.682 6.287 -10.195 1.00 0.00 C ATOM 22 C GLU A 2 -12.443 5.515 -8.891 1.00 0.00 C ATOM 23 O GLU A 2 -13.356 5.293 -8.123 1.00 0.00 O ATOM 24 CB GLU A 2 -12.794 5.290 -11.380 1.00 0.00 C ATOM 25 CG GLU A 2 -14.266 5.134 -11.780 1.00 0.00 C ATOM 26 CD GLU A 2 -14.412 4.036 -12.834 1.00 0.00 C ATOM 27 OE1 GLU A 2 -13.809 4.166 -13.885 1.00 0.00 O ATOM 28 OE2 GLU A 2 -15.135 3.088 -12.573 1.00 0.00 O ATOM 0 H GLU A 2 -10.792 6.846 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.609 6.855 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.212 5.650 -12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.379 4.323 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.865 4.889 -10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.646 6.077 -12.172 1.00 0.00 H new ATOM 35 N PRO A 3 -11.227 5.088 -8.653 1.00 0.00 N ATOM 36 CA PRO A 3 -10.874 4.311 -7.427 1.00 0.00 C ATOM 37 C PRO A 3 -11.121 5.107 -6.146 1.00 0.00 C ATOM 38 O PRO A 3 -10.968 6.309 -6.105 1.00 0.00 O ATOM 39 CB PRO A 3 -9.374 3.986 -7.593 1.00 0.00 C ATOM 40 CG PRO A 3 -9.076 4.215 -9.043 1.00 0.00 C ATOM 41 CD PRO A 3 -10.051 5.289 -9.514 1.00 0.00 C ATOM 0 HA PRO A 3 -11.491 3.418 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.761 4.627 -6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.161 2.956 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.044 4.538 -9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.202 3.296 -9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.634 6.289 -9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.301 5.170 -10.568 1.00 0.00 H new ATOM 49 N GLN A 4 -11.507 4.427 -5.107 1.00 0.00 N ATOM 50 CA GLN A 4 -11.785 5.109 -3.814 1.00 0.00 C ATOM 51 C GLN A 4 -10.471 5.502 -3.140 1.00 0.00 C ATOM 52 O GLN A 4 -10.059 4.923 -2.156 1.00 0.00 O ATOM 53 CB GLN A 4 -12.593 4.171 -2.904 1.00 0.00 C ATOM 54 CG GLN A 4 -12.003 2.754 -2.955 1.00 0.00 C ATOM 55 CD GLN A 4 -12.729 1.848 -1.956 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.468 2.379 -1.025 1.00 0.00 O flip ATOM 57 NE2 GLN A 4 -12.618 0.640 -2.024 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.644 3.416 -5.097 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.365 6.013 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.579 4.543 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.636 4.152 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.097 2.348 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.939 2.786 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.040 0.221 -2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.103 0.045 -1.353 1.00 0.00 H new ATOM 66 N LEU A 5 -9.823 6.494 -3.684 1.00 0.00 N ATOM 67 CA LEU A 5 -8.532 6.970 -3.116 1.00 0.00 C ATOM 68 C LEU A 5 -8.766 7.564 -1.738 1.00 0.00 C ATOM 69 O LEU A 5 -9.712 8.292 -1.514 1.00 0.00 O ATOM 70 CB LEU A 5 -7.940 8.050 -4.036 1.00 0.00 C ATOM 71 CG LEU A 5 -7.406 7.409 -5.330 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.400 8.449 -6.461 1.00 0.00 C ATOM 73 CD2 LEU A 5 -5.973 6.897 -5.107 1.00 0.00 C ATOM 0 H LEU A 5 -10.139 7.002 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.842 6.130 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.702 8.792 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.135 8.575 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.052 6.575 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.021 7.991 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.415 8.809 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.760 9.286 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.601 6.445 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.329 7.730 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.972 6.153 -4.310 1.00 0.00 H new ATOM 85 N THR A 6 -7.899 7.251 -0.815 1.00 0.00 N ATOM 86 CA THR A 6 -8.031 7.776 0.577 1.00 0.00 C ATOM 87 C THR A 6 -6.715 8.412 1.017 1.00 0.00 C ATOM 88 O THR A 6 -5.643 7.883 0.799 1.00 0.00 O ATOM 89 CB THR A 6 -8.400 6.632 1.522 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.629 6.056 1.101 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.549 7.180 2.941 1.00 0.00 C ATOM 0 H THR A 6 -7.093 6.645 -0.967 1.00 0.00 H new ATOM 0 HA THR A 6 -8.816 8.532 0.605 1.00 0.00 H new ATOM 0 HB THR A 6 -7.619 5.872 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.950 5.433 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.812 6.368 3.619 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.607 7.627 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.334 7.936 2.959 1.00 0.00 H new ATOM 99 N LYS A 7 -6.811 9.562 1.627 1.00 0.00 N ATOM 100 CA LYS A 7 -5.596 10.288 2.094 1.00 0.00 C ATOM 101 C LYS A 7 -5.005 9.585 3.315 1.00 0.00 C ATOM 102 O LYS A 7 -5.697 8.946 4.080 1.00 0.00 O ATOM 103 CB LYS A 7 -5.965 11.730 2.465 1.00 0.00 C ATOM 104 CG LYS A 7 -6.425 12.492 1.215 1.00 0.00 C ATOM 105 CD LYS A 7 -6.776 13.938 1.591 1.00 0.00 C ATOM 106 CE LYS A 7 -7.174 14.717 0.334 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.411 14.128 -0.253 1.00 0.00 N ATOM 0 H LYS A 7 -7.693 10.036 1.824 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.858 10.296 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.758 11.730 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.106 12.231 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.638 12.483 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.292 11.999 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.594 13.948 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.923 14.416 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.341 15.765 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.364 14.687 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.829 14.800 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.174 13.244 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.094 13.928 0.505 1.00 0.00 H new ATOM 121 N ILE A 8 -3.718 9.705 3.479 1.00 0.00 N ATOM 122 CA ILE A 8 -3.027 9.053 4.625 1.00 0.00 C ATOM 123 C ILE A 8 -3.548 9.645 5.935 1.00 0.00 C ATOM 124 O ILE A 8 -3.789 8.942 6.894 1.00 0.00 O ATOM 125 CB ILE A 8 -1.514 9.306 4.516 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.950 8.545 3.306 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.822 8.828 5.798 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.492 8.989 3.028 1.00 0.00 C ATOM 0 H ILE A 8 -3.107 10.235 2.858 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.221 7.981 4.608 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.332 10.373 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.978 7.472 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.571 8.729 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.250 9.007 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.221 9.375 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.003 7.762 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.881 8.443 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.509 10.058 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.111 8.781 3.901 1.00 0.00 H new ATOM 140 N VAL A 9 -3.698 10.938 5.970 1.00 0.00 N ATOM 141 CA VAL A 9 -4.179 11.628 7.200 1.00 0.00 C ATOM 142 C VAL A 9 -5.625 11.205 7.486 1.00 0.00 C ATOM 143 O VAL A 9 -6.091 11.275 8.604 1.00 0.00 O ATOM 144 CB VAL A 9 -4.110 13.147 6.976 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.150 13.577 5.937 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.373 13.876 8.296 1.00 0.00 C ATOM 0 H VAL A 9 -3.504 11.558 5.184 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.555 11.357 8.052 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.116 13.404 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.091 14.655 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.953 13.068 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.147 13.314 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.323 14.953 8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.363 13.610 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.620 13.585 9.029 1.00 0.00 H new ATOM 156 N ASP A 10 -6.334 10.777 6.472 1.00 0.00 N ATOM 157 CA ASP A 10 -7.756 10.356 6.656 1.00 0.00 C ATOM 158 C ASP A 10 -7.794 8.946 7.247 1.00 0.00 C ATOM 159 O ASP A 10 -8.841 8.438 7.591 1.00 0.00 O ATOM 160 CB ASP A 10 -8.462 10.357 5.296 1.00 0.00 C ATOM 161 CG ASP A 10 -9.940 10.015 5.486 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.584 10.683 6.276 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.403 9.090 4.837 1.00 0.00 O ATOM 0 H ASP A 10 -5.985 10.701 5.517 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.260 11.048 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.362 11.334 4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.993 9.632 4.631 1.00 0.00 H new ATOM 168 N ILE A 11 -6.657 8.314 7.364 1.00 0.00 N ATOM 169 CA ILE A 11 -6.614 6.935 7.934 1.00 0.00 C ATOM 170 C ILE A 11 -6.532 7.014 9.456 1.00 0.00 C ATOM 171 O ILE A 11 -5.560 7.472 10.021 1.00 0.00 O ATOM 172 CB ILE A 11 -5.394 6.187 7.379 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.562 6.002 5.866 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.289 4.816 8.051 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.278 5.429 5.262 1.00 0.00 C ATOM 0 H ILE A 11 -5.752 8.695 7.088 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.519 6.396 7.654 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.489 6.760 7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.399 5.333 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.798 6.958 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.423 4.283 7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.177 4.946 9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.192 4.241 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.407 5.301 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.451 6.114 5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.060 4.464 5.719 1.00 0.00 H new ATOM 187 N VAL A 12 -7.563 6.564 10.117 1.00 0.00 N ATOM 188 CA VAL A 12 -7.591 6.593 11.608 1.00 0.00 C ATOM 189 C VAL A 12 -8.443 5.429 12.113 1.00 0.00 C ATOM 190 O VAL A 12 -8.798 5.369 13.271 1.00 0.00 O ATOM 191 CB VAL A 12 -8.195 7.914 12.091 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.356 9.077 11.564 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.636 8.050 11.580 1.00 0.00 C ATOM 0 H VAL A 12 -8.398 6.172 9.682 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.575 6.504 11.993 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.200 7.928 13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.784 10.019 11.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.335 8.986 11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.350 9.056 10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.058 8.993 11.928 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.639 8.032 10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.236 7.222 11.958 1.00 0.00 H new ATOM 203 N GLU A 13 -8.777 4.502 11.247 1.00 0.00 N ATOM 204 CA GLU A 13 -9.615 3.328 11.664 1.00 0.00 C ATOM 205 C GLU A 13 -8.907 2.020 11.311 1.00 0.00 C ATOM 206 O GLU A 13 -8.338 1.865 10.250 1.00 0.00 O ATOM 207 CB GLU A 13 -10.965 3.386 10.945 1.00 0.00 C ATOM 208 CG GLU A 13 -11.768 4.574 11.480 1.00 0.00 C ATOM 209 CD GLU A 13 -13.123 4.651 10.770 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.902 3.724 10.920 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.362 5.642 10.099 1.00 0.00 O ATOM 0 H GLU A 13 -8.505 4.506 10.264 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.769 3.368 12.742 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.814 3.488 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.515 2.459 11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.916 4.469 12.555 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.213 5.499 11.324 1.00 0.00 H new ATOM 218 N ASN A 14 -8.951 1.083 12.217 1.00 0.00 N ATOM 219 CA ASN A 14 -8.297 -0.235 11.986 1.00 0.00 C ATOM 220 C ASN A 14 -9.234 -1.149 11.196 1.00 0.00 C ATOM 221 O ASN A 14 -10.428 -1.176 11.412 1.00 0.00 O ATOM 222 CB ASN A 14 -7.953 -0.883 13.338 1.00 0.00 C ATOM 223 CG ASN A 14 -9.229 -1.222 14.117 1.00 0.00 C ATOM 224 OD1 ASN A 14 -10.299 -0.752 13.791 1.00 0.00 O ATOM 225 ND2 ASN A 14 -9.154 -2.026 15.147 1.00 0.00 N ATOM 0 H ASN A 14 -9.418 1.176 13.119 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.381 -0.087 11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.369 -1.789 13.175 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.332 -0.205 13.924 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.995 -2.257 15.676 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.254 -2.421 15.421 1.00 0.00 H new ATOM 232 N GLY A 15 -8.677 -1.898 10.285 1.00 0.00 N ATOM 233 CA GLY A 15 -9.490 -2.836 9.457 1.00 0.00 C ATOM 234 C GLY A 15 -10.255 -2.050 8.391 1.00 0.00 C ATOM 235 O GLY A 15 -11.223 -2.525 7.838 1.00 0.00 O ATOM 0 H GLY A 15 -7.679 -1.901 10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.842 -3.574 8.984 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.188 -3.384 10.090 1.00 0.00 H new ATOM 239 N GLN A 16 -9.826 -0.849 8.108 1.00 0.00 N ATOM 240 CA GLN A 16 -10.523 -0.016 7.086 1.00 0.00 C ATOM 241 C GLN A 16 -10.123 -0.459 5.684 1.00 0.00 C ATOM 242 O GLN A 16 -8.962 -0.666 5.388 1.00 0.00 O ATOM 243 CB GLN A 16 -10.156 1.461 7.289 1.00 0.00 C ATOM 244 CG GLN A 16 -10.974 2.328 6.325 1.00 0.00 C ATOM 245 CD GLN A 16 -10.589 3.800 6.498 1.00 0.00 C ATOM 246 OE1 GLN A 16 -9.424 4.126 6.596 1.00 0.00 O ATOM 247 NE2 GLN A 16 -11.527 4.707 6.537 1.00 0.00 N ATOM 0 H GLN A 16 -9.017 -0.407 8.544 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.600 -0.141 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.354 1.758 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.090 1.609 7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.794 2.014 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.039 2.196 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.506 4.432 6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.281 5.690 6.650 1.00 0.00 H new ATOM 256 N TRP A 17 -11.096 -0.607 4.824 1.00 0.00 N ATOM 257 CA TRP A 17 -10.825 -1.043 3.421 1.00 0.00 C ATOM 258 C TRP A 17 -10.997 0.132 2.463 1.00 0.00 C ATOM 259 O TRP A 17 -11.992 0.829 2.483 1.00 0.00 O ATOM 260 CB TRP A 17 -11.806 -2.156 3.040 1.00 0.00 C ATOM 261 CG TRP A 17 -11.500 -3.380 3.840 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.949 -3.621 5.094 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.691 -4.533 3.468 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.463 -4.845 5.516 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.682 -5.446 4.549 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.968 -4.872 2.309 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.983 -6.650 4.483 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.263 -6.086 2.239 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.270 -6.973 3.326 1.00 0.00 C ATOM 0 H TRP A 17 -12.080 -0.442 5.036 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.801 -1.410 3.353 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.830 -1.833 3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.729 -2.375 1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.583 -2.964 5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.658 -5.254 6.430 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.955 -4.195 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.993 -7.330 5.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.713 -6.337 1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.725 -7.904 3.268 1.00 0.00 H new ATOM 280 N ALA A 18 -10.027 0.336 1.612 1.00 0.00 N ATOM 281 CA ALA A 18 -10.111 1.451 0.623 1.00 0.00 C ATOM 282 C ALA A 18 -8.869 1.463 -0.275 1.00 0.00 C ATOM 283 O ALA A 18 -7.945 0.694 -0.097 1.00 0.00 O ATOM 284 CB ALA A 18 -10.211 2.789 1.352 1.00 0.00 C ATOM 0 H ALA A 18 -9.176 -0.224 1.559 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.999 1.299 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.272 3.597 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.104 2.797 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.329 2.930 1.977 1.00 0.00 H new ATOM 290 N ASN A 19 -8.861 2.341 -1.249 1.00 0.00 N ATOM 291 CA ASN A 19 -7.707 2.438 -2.199 1.00 0.00 C ATOM 292 C ASN A 19 -6.823 3.626 -1.832 1.00 0.00 C ATOM 293 O ASN A 19 -7.274 4.623 -1.301 1.00 0.00 O ATOM 294 CB ASN A 19 -8.236 2.627 -3.624 1.00 0.00 C ATOM 295 CG ASN A 19 -7.067 2.639 -4.617 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.834 1.664 -5.298 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.322 3.707 -4.732 1.00 0.00 N ATOM 0 H ASN A 19 -9.615 3.004 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.120 1.522 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.929 1.823 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.793 3.561 -3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.546 3.719 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.517 4.529 -4.160 1.00 0.00 H new ATOM 304 N LEU A 20 -5.555 3.511 -2.117 1.00 0.00 N ATOM 305 CA LEU A 20 -4.602 4.606 -1.802 1.00 0.00 C ATOM 306 C LEU A 20 -3.481 4.654 -2.841 1.00 0.00 C ATOM 307 O LEU A 20 -2.945 3.646 -3.249 1.00 0.00 O ATOM 308 CB LEU A 20 -4.004 4.370 -0.416 1.00 0.00 C ATOM 309 CG LEU A 20 -3.186 5.614 0.026 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.387 5.855 1.521 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.693 5.389 -0.256 1.00 0.00 C ATOM 0 H LEU A 20 -5.136 2.693 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.135 5.556 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.799 4.172 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.362 3.489 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.531 6.482 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.812 6.728 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.444 6.027 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.048 4.982 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.127 6.267 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.346 4.517 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.545 5.224 -1.323 1.00 0.00 H new ATOM 323 N LYS A 21 -3.117 5.841 -3.252 1.00 0.00 N ATOM 324 CA LYS A 21 -2.023 6.014 -4.258 1.00 0.00 C ATOM 325 C LYS A 21 -0.794 6.627 -3.579 1.00 0.00 C ATOM 326 O LYS A 21 -0.887 7.593 -2.843 1.00 0.00 O ATOM 327 CB LYS A 21 -2.518 6.946 -5.368 1.00 0.00 C ATOM 328 CG LYS A 21 -1.427 7.110 -6.435 1.00 0.00 C ATOM 329 CD LYS A 21 -1.846 8.185 -7.447 1.00 0.00 C ATOM 330 CE LYS A 21 -2.879 7.616 -8.422 1.00 0.00 C ATOM 331 NZ LYS A 21 -3.120 8.594 -9.516 1.00 0.00 N ATOM 0 H LYS A 21 -3.537 6.712 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.750 5.047 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.423 6.540 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.779 7.918 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.484 7.389 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.260 6.162 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.264 9.045 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.973 8.539 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.523 6.672 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.811 7.403 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.822 8.207 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.477 9.484 -9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.230 8.775 -10.022 1.00 0.00 H new ATOM 345 N ALA A 22 0.361 6.066 -3.835 1.00 0.00 N ATOM 346 CA ALA A 22 1.613 6.602 -3.221 1.00 0.00 C ATOM 347 C ALA A 22 2.844 6.079 -3.965 1.00 0.00 C ATOM 348 O ALA A 22 2.760 5.207 -4.806 1.00 0.00 O ATOM 349 CB ALA A 22 1.698 6.172 -1.759 1.00 0.00 C ATOM 0 H ALA A 22 0.491 5.258 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 22 1.589 7.690 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.613 6.566 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.836 6.559 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.706 5.084 -1.700 1.00 0.00 H new ATOM 355 N LYS A 23 3.990 6.626 -3.646 1.00 0.00 N ATOM 356 CA LYS A 23 5.268 6.207 -4.306 1.00 0.00 C ATOM 357 C LYS A 23 6.183 5.531 -3.287 1.00 0.00 C ATOM 358 O LYS A 23 6.250 5.917 -2.136 1.00 0.00 O ATOM 359 CB LYS A 23 5.966 7.440 -4.880 1.00 0.00 C ATOM 360 CG LYS A 23 7.279 7.023 -5.552 1.00 0.00 C ATOM 361 CD LYS A 23 7.932 8.244 -6.224 1.00 0.00 C ATOM 362 CE LYS A 23 7.410 8.389 -7.658 1.00 0.00 C ATOM 363 NZ LYS A 23 8.036 7.349 -8.521 1.00 0.00 N ATOM 0 H LYS A 23 4.097 7.358 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 23 5.046 5.502 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.317 7.934 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.165 8.160 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.957 6.597 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.088 6.247 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.710 9.146 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.016 8.130 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.325 8.285 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.641 9.383 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.335 6.997 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.841 7.762 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.369 6.561 -7.929 1.00 0.00 H new ATOM 377 N VAL A 24 6.879 4.512 -3.722 1.00 0.00 N ATOM 378 CA VAL A 24 7.798 3.771 -2.805 1.00 0.00 C ATOM 379 C VAL A 24 9.129 4.505 -2.686 1.00 0.00 C ATOM 380 O VAL A 24 9.808 4.752 -3.663 1.00 0.00 O ATOM 381 CB VAL A 24 8.036 2.360 -3.355 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.047 1.629 -2.460 1.00 0.00 C ATOM 383 CG2 VAL A 24 6.710 1.579 -3.373 1.00 0.00 C ATOM 0 H VAL A 24 6.850 4.159 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 24 7.341 3.708 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 24 8.427 2.429 -4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.218 0.625 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.988 2.179 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.654 1.563 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.883 0.577 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.315 1.509 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.991 2.097 -4.008 1.00 0.00 H new ATOM 393 N ILE A 25 9.490 4.858 -1.484 1.00 0.00 N ATOM 394 CA ILE A 25 10.768 5.591 -1.251 1.00 0.00 C ATOM 395 C ILE A 25 11.883 4.604 -0.914 1.00 0.00 C ATOM 396 O ILE A 25 12.983 4.708 -1.413 1.00 0.00 O ATOM 397 CB ILE A 25 10.586 6.553 -0.067 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.310 7.381 -0.270 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.795 7.488 0.019 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.330 8.044 -1.652 1.00 0.00 C ATOM 0 H ILE A 25 8.947 4.668 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 25 11.032 6.143 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 25 10.502 5.981 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.433 6.741 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.233 8.142 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.668 8.171 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.701 6.899 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.879 8.060 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.421 8.630 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.198 8.699 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.385 7.276 -2.423 1.00 0.00 H new ATOM 412 N GLN A 26 11.612 3.657 -0.055 1.00 0.00 N ATOM 413 CA GLN A 26 12.667 2.675 0.330 1.00 0.00 C ATOM 414 C GLN A 26 12.028 1.395 0.880 1.00 0.00 C ATOM 415 O GLN A 26 10.980 1.407 1.491 1.00 0.00 O ATOM 416 CB GLN A 26 13.565 3.285 1.395 1.00 0.00 C ATOM 417 CG GLN A 26 14.674 2.289 1.752 1.00 0.00 C ATOM 418 CD GLN A 26 15.659 2.939 2.728 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.689 4.145 2.865 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.472 2.182 3.416 1.00 0.00 N ATOM 0 H GLN A 26 10.707 3.521 0.396 1.00 0.00 H new ATOM 0 HA GLN A 26 13.256 2.428 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.000 4.216 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.981 3.531 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.242 1.394 2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.197 1.974 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.446 1.169 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.132 2.604 4.069 1.00 0.00 H new ATOM 429 N LEU A 27 12.677 0.293 0.645 1.00 0.00 N ATOM 430 CA LEU A 27 12.174 -1.046 1.102 1.00 0.00 C ATOM 431 C LEU A 27 13.163 -1.642 2.098 1.00 0.00 C ATOM 432 O LEU A 27 14.351 -1.393 2.043 1.00 0.00 O ATOM 433 CB LEU A 27 12.023 -2.021 -0.111 1.00 0.00 C ATOM 434 CG LEU A 27 12.471 -1.325 -1.407 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.570 -0.096 -1.681 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.966 -0.899 -1.296 1.00 0.00 C ATOM 0 H LEU A 27 13.563 0.256 0.140 1.00 0.00 H new ATOM 0 HA LEU A 27 11.199 -0.911 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.621 -2.917 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.986 -2.343 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 27 12.374 -2.020 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.892 0.393 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.535 -0.420 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.648 0.605 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.274 -0.407 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.087 -0.210 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.585 -1.781 -1.132 1.00 0.00 H new ATOM 448 N TRP A 28 12.667 -2.450 2.990 1.00 0.00 N ATOM 449 CA TRP A 28 13.547 -3.105 4.002 1.00 0.00 C ATOM 450 C TRP A 28 13.131 -4.569 4.177 1.00 0.00 C ATOM 451 O TRP A 28 12.071 -4.879 4.686 1.00 0.00 O ATOM 452 CB TRP A 28 13.424 -2.359 5.330 1.00 0.00 C ATOM 453 CG TRP A 28 14.548 -2.755 6.235 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.823 -2.310 6.134 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.521 -3.667 7.368 1.00 0.00 C ATOM 456 NE1 TRP A 28 16.578 -2.890 7.138 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.819 -3.735 7.924 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.503 -4.434 7.962 1.00 0.00 C ATOM 459 CZ2 TRP A 28 16.100 -4.536 9.031 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.781 -5.241 9.076 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.076 -5.293 9.610 1.00 0.00 C ATOM 0 H TRP A 28 11.678 -2.689 3.064 1.00 0.00 H new ATOM 0 HA TRP A 28 14.583 -3.074 3.666 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.445 -1.283 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 28 12.468 -2.588 5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.190 -1.617 5.392 1.00 0.00 H new ATOM 0 HE1 TRP A 28 17.573 -2.715 7.280 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.502 -4.402 7.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.100 -4.571 9.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.992 -5.826 9.525 1.00 0.00 H new ATOM 0 HH2 TRP A 28 15.283 -5.917 10.467 1.00 0.00 H new ATOM 472 N GLU A 29 13.975 -5.464 3.738 1.00 0.00 N ATOM 473 CA GLU A 29 13.681 -6.922 3.843 1.00 0.00 C ATOM 474 C GLU A 29 13.323 -7.283 5.277 1.00 0.00 C ATOM 475 O GLU A 29 13.992 -6.903 6.216 1.00 0.00 O ATOM 476 CB GLU A 29 14.914 -7.719 3.404 1.00 0.00 C ATOM 477 CG GLU A 29 15.177 -7.490 1.913 1.00 0.00 C ATOM 478 CD GLU A 29 14.026 -8.074 1.091 1.00 0.00 C ATOM 479 OE1 GLU A 29 13.334 -8.935 1.606 1.00 0.00 O ATOM 480 OE2 GLU A 29 13.858 -7.648 -0.040 1.00 0.00 O ATOM 0 H GLU A 29 14.871 -5.242 3.304 1.00 0.00 H new ATOM 0 HA GLU A 29 12.837 -7.165 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.783 -7.413 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.759 -8.781 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.276 -6.424 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.118 -7.958 1.624 1.00 0.00 H new ATOM 487 N ASN A 30 12.253 -8.010 5.438 1.00 0.00 N ATOM 488 CA ASN A 30 11.802 -8.410 6.802 1.00 0.00 C ATOM 489 C ASN A 30 12.463 -9.725 7.209 1.00 0.00 C ATOM 490 O ASN A 30 13.133 -10.367 6.428 1.00 0.00 O ATOM 491 CB ASN A 30 10.278 -8.569 6.806 1.00 0.00 C ATOM 492 CG ASN A 30 9.770 -8.561 8.249 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.872 -9.430 8.618 1.00 0.00 O flip ATOM 494 ND2 ASN A 30 10.204 -7.760 9.050 1.00 0.00 N flip ATOM 0 H ASN A 30 11.665 -8.348 4.676 1.00 0.00 H new ATOM 0 HA ASN A 30 12.089 -7.639 7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.815 -7.759 6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.997 -9.501 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.907 -7.080 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.866 -7.767 10.012 1.00 0.00 H new ATOM 501 N THR A 31 12.284 -10.113 8.443 1.00 0.00 N ATOM 502 CA THR A 31 12.905 -11.377 8.948 1.00 0.00 C ATOM 503 C THR A 31 11.853 -12.485 8.994 1.00 0.00 C ATOM 504 O THR A 31 12.132 -13.591 9.402 1.00 0.00 O ATOM 505 CB THR A 31 13.447 -11.143 10.364 1.00 0.00 C ATOM 506 OG1 THR A 31 12.370 -10.866 11.249 1.00 0.00 O ATOM 507 CG2 THR A 31 14.422 -9.964 10.360 1.00 0.00 C ATOM 0 H THR A 31 11.729 -9.605 9.131 1.00 0.00 H new ATOM 0 HA THR A 31 13.716 -11.672 8.282 1.00 0.00 H new ATOM 0 HB THR A 31 13.969 -12.039 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.719 -10.719 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.803 -9.803 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.253 -10.181 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.906 -9.066 10.020 1.00 0.00 H new ATOM 515 N HIS A 32 10.642 -12.192 8.589 1.00 0.00 N ATOM 516 CA HIS A 32 9.553 -13.224 8.617 1.00 0.00 C ATOM 517 C HIS A 32 9.260 -13.733 7.205 1.00 0.00 C ATOM 518 O HIS A 32 9.230 -12.988 6.244 1.00 0.00 O ATOM 519 CB HIS A 32 8.285 -12.610 9.215 1.00 0.00 C ATOM 520 CG HIS A 32 8.513 -12.317 10.672 1.00 0.00 C ATOM 521 ND1 HIS A 32 9.335 -11.285 11.100 1.00 0.00 N ATOM 522 CD2 HIS A 32 8.030 -12.908 11.812 1.00 0.00 C ATOM 523 CE1 HIS A 32 9.319 -11.286 12.446 1.00 0.00 C ATOM 524 NE2 HIS A 32 8.540 -12.257 12.931 1.00 0.00 N ATOM 0 H HIS A 32 10.357 -11.278 8.238 1.00 0.00 H new ATOM 0 HA HIS A 32 9.880 -14.064 9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.026 -11.694 8.684 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.445 -13.295 9.097 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.356 -13.751 11.837 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.869 -10.587 13.059 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.358 -12.474 13.911 1.00 0.00 H new ATOM 532 N GLU A 33 9.053 -15.018 7.095 1.00 0.00 N ATOM 533 CA GLU A 33 8.765 -15.649 5.775 1.00 0.00 C ATOM 534 C GLU A 33 7.390 -15.203 5.275 1.00 0.00 C ATOM 535 O GLU A 33 7.184 -14.999 4.098 1.00 0.00 O ATOM 536 CB GLU A 33 8.784 -17.179 5.937 1.00 0.00 C ATOM 537 CG GLU A 33 7.789 -17.610 7.025 1.00 0.00 C ATOM 538 CD GLU A 33 7.875 -19.127 7.238 1.00 0.00 C ATOM 539 OE1 GLU A 33 8.125 -19.830 6.273 1.00 0.00 O ATOM 540 OE2 GLU A 33 7.682 -19.558 8.363 1.00 0.00 O ATOM 0 H GLU A 33 9.072 -15.669 7.880 1.00 0.00 H new ATOM 0 HA GLU A 33 9.521 -15.344 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.528 -17.655 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.788 -17.512 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.008 -17.090 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.776 -17.331 6.735 1.00 0.00 H new ATOM 547 N SER A 34 6.449 -15.064 6.172 1.00 0.00 N ATOM 548 CA SER A 34 5.073 -14.640 5.781 1.00 0.00 C ATOM 549 C SER A 34 5.131 -13.244 5.173 1.00 0.00 C ATOM 550 O SER A 34 4.402 -12.926 4.259 1.00 0.00 O ATOM 551 CB SER A 34 4.173 -14.619 7.021 1.00 0.00 C ATOM 552 OG SER A 34 4.266 -15.870 7.689 1.00 0.00 O ATOM 0 H SER A 34 6.578 -15.228 7.170 1.00 0.00 H new ATOM 0 HA SER A 34 4.668 -15.341 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.475 -13.813 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.140 -14.424 6.732 1.00 0.00 H new ATOM 0 HG SER A 34 3.693 -15.860 8.484 1.00 0.00 H new ATOM 558 N ILE A 35 5.990 -12.403 5.689 1.00 0.00 N ATOM 559 CA ILE A 35 6.109 -11.008 5.162 1.00 0.00 C ATOM 560 C ILE A 35 7.355 -10.902 4.284 1.00 0.00 C ATOM 561 O ILE A 35 8.442 -11.285 4.664 1.00 0.00 O ATOM 562 CB ILE A 35 6.208 -10.026 6.335 1.00 0.00 C ATOM 563 CG1 ILE A 35 4.934 -10.126 7.183 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.353 -8.601 5.793 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.140 -9.406 8.518 1.00 0.00 C ATOM 0 H ILE A 35 6.620 -12.624 6.460 1.00 0.00 H new ATOM 0 HA ILE A 35 5.230 -10.764 4.566 1.00 0.00 H new ATOM 0 HB ILE A 35 7.075 -10.269 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.094 -9.684 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.685 -11.172 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.424 -7.901 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.255 -8.533 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.484 -8.353 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.232 -9.481 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.968 -9.868 9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.368 -8.356 8.334 1.00 0.00 H new ATOM 577 N SER A 36 7.179 -10.392 3.097 1.00 0.00 N ATOM 578 CA SER A 36 8.315 -10.252 2.144 1.00 0.00 C ATOM 579 C SER A 36 9.206 -9.091 2.568 1.00 0.00 C ATOM 580 O SER A 36 10.290 -9.278 3.084 1.00 0.00 O ATOM 581 CB SER A 36 7.770 -9.966 0.742 1.00 0.00 C ATOM 582 OG SER A 36 8.848 -9.641 -0.125 1.00 0.00 O ATOM 0 H SER A 36 6.282 -10.061 2.742 1.00 0.00 H new ATOM 0 HA SER A 36 8.892 -11.176 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.234 -10.836 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.056 -9.143 0.778 1.00 0.00 H new ATOM 0 HG SER A 36 8.502 -9.459 -1.024 1.00 0.00 H new ATOM 588 N GLN A 37 8.756 -7.885 2.335 1.00 0.00 N ATOM 589 CA GLN A 37 9.571 -6.687 2.698 1.00 0.00 C ATOM 590 C GLN A 37 8.682 -5.593 3.280 1.00 0.00 C ATOM 591 O GLN A 37 7.490 -5.530 3.035 1.00 0.00 O ATOM 592 CB GLN A 37 10.263 -6.148 1.444 1.00 0.00 C ATOM 593 CG GLN A 37 9.225 -5.831 0.362 1.00 0.00 C ATOM 594 CD GLN A 37 9.942 -5.322 -0.890 1.00 0.00 C ATOM 595 OE1 GLN A 37 11.041 -5.743 -1.187 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.363 -4.428 -1.642 1.00 0.00 N ATOM 0 H GLN A 37 7.854 -7.678 1.906 1.00 0.00 H new ATOM 0 HA GLN A 37 10.311 -6.980 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.829 -5.249 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.977 -6.882 1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.645 -6.723 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.523 -5.080 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.439 -4.073 -1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.834 -4.083 -2.479 1.00 0.00 H new ATOM 605 N VAL A 38 9.281 -4.726 4.053 1.00 0.00 N ATOM 606 CA VAL A 38 8.531 -3.602 4.686 1.00 0.00 C ATOM 607 C VAL A 38 9.282 -2.292 4.445 1.00 0.00 C ATOM 608 O VAL A 38 10.488 -2.215 4.576 1.00 0.00 O ATOM 609 CB VAL A 38 8.411 -3.857 6.188 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.850 -2.609 6.878 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.467 -5.035 6.414 1.00 0.00 C ATOM 0 H VAL A 38 10.276 -4.750 4.276 1.00 0.00 H new ATOM 0 HA VAL A 38 7.535 -3.533 4.249 1.00 0.00 H new ATOM 0 HB VAL A 38 9.392 -4.084 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.765 -2.793 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.520 -1.766 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.866 -2.379 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.374 -5.226 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.486 -4.800 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.866 -5.921 5.920 1.00 0.00 H new ATOM 621 N GLY A 39 8.568 -1.264 4.093 1.00 0.00 N ATOM 622 CA GLY A 39 9.217 0.054 3.838 1.00 0.00 C ATOM 623 C GLY A 39 8.224 1.184 4.086 1.00 0.00 C ATOM 624 O GLY A 39 7.319 1.078 4.891 1.00 0.00 O ATOM 0 H GLY A 39 7.556 -1.277 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.084 0.173 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.580 0.097 2.811 1.00 0.00 H new ATOM 628 N LEU A 40 8.404 2.278 3.394 1.00 0.00 N ATOM 629 CA LEU A 40 7.494 3.453 3.570 1.00 0.00 C ATOM 630 C LEU A 40 7.093 4.003 2.207 1.00 0.00 C ATOM 631 O LEU A 40 7.812 3.890 1.235 1.00 0.00 O ATOM 632 CB LEU A 40 8.206 4.550 4.374 1.00 0.00 C ATOM 633 CG LEU A 40 9.696 4.637 3.973 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.182 6.086 4.110 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.536 3.736 4.893 1.00 0.00 C ATOM 0 H LEU A 40 9.148 2.411 2.709 1.00 0.00 H new ATOM 0 HA LEU A 40 6.602 3.133 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.720 5.510 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.122 4.340 5.440 1.00 0.00 H new ATOM 0 HG LEU A 40 9.806 4.308 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.233 6.146 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.593 6.730 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.066 6.413 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.586 3.801 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.421 4.063 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.197 2.704 4.800 1.00 0.00 H new ATOM 647 N LEU A 41 5.935 4.605 2.150 1.00 0.00 N ATOM 648 CA LEU A 41 5.429 5.184 0.869 1.00 0.00 C ATOM 649 C LEU A 41 5.281 6.696 1.009 1.00 0.00 C ATOM 650 O LEU A 41 4.644 7.196 1.913 1.00 0.00 O ATOM 651 CB LEU A 41 4.070 4.567 0.545 1.00 0.00 C ATOM 652 CG LEU A 41 4.175 3.044 0.596 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.813 2.422 0.276 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.218 2.560 -0.421 1.00 0.00 C ATOM 0 H LEU A 41 5.309 4.722 2.947 1.00 0.00 H new ATOM 0 HA LEU A 41 6.134 4.967 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.322 4.914 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.740 4.886 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 41 4.483 2.739 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.891 1.335 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.079 2.758 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.498 2.729 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.289 1.473 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.919 2.867 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.188 2.996 -0.183 1.00 0.00 H new ATOM 666 N GLY A 42 5.885 7.412 0.107 1.00 0.00 N ATOM 667 CA GLY A 42 5.828 8.901 0.134 1.00 0.00 C ATOM 668 C GLY A 42 4.569 9.412 -0.562 1.00 0.00 C ATOM 669 O GLY A 42 4.051 8.802 -1.476 1.00 0.00 O ATOM 0 H GLY A 42 6.427 7.022 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.845 9.251 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.711 9.311 -0.356 1.00 0.00 H new ATOM 673 N ASP A 43 4.094 10.544 -0.125 1.00 0.00 N ATOM 674 CA ASP A 43 2.879 11.154 -0.732 1.00 0.00 C ATOM 675 C ASP A 43 2.719 12.590 -0.227 1.00 0.00 C ATOM 676 O ASP A 43 3.338 13.002 0.734 1.00 0.00 O ATOM 677 CB ASP A 43 1.643 10.342 -0.348 1.00 0.00 C ATOM 678 CG ASP A 43 0.453 10.790 -1.201 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.685 11.375 -2.248 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.669 10.539 -0.793 1.00 0.00 O ATOM 0 H ASP A 43 4.503 11.081 0.640 1.00 0.00 H new ATOM 0 HA ASP A 43 2.986 11.157 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.832 9.279 -0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.418 10.480 0.710 1.00 0.00 H new ATOM 685 N GLU A 44 1.900 13.351 -0.895 1.00 0.00 N ATOM 686 CA GLU A 44 1.679 14.772 -0.506 1.00 0.00 C ATOM 687 C GLU A 44 0.992 14.838 0.861 1.00 0.00 C ATOM 688 O GLU A 44 1.062 15.834 1.546 1.00 0.00 O ATOM 689 CB GLU A 44 0.798 15.452 -1.566 1.00 0.00 C ATOM 690 CG GLU A 44 0.621 16.931 -1.210 1.00 0.00 C ATOM 691 CD GLU A 44 -0.188 17.638 -2.299 1.00 0.00 C ATOM 692 OE1 GLU A 44 -0.746 16.951 -3.139 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.240 18.856 -2.272 1.00 0.00 O ATOM 0 H GLU A 44 1.365 13.044 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 44 2.638 15.286 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.256 15.356 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.173 14.960 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.113 17.024 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.596 17.407 -1.103 1.00 0.00 H new ATOM 700 N THR A 45 0.318 13.785 1.257 1.00 0.00 N ATOM 701 CA THR A 45 -0.387 13.791 2.578 1.00 0.00 C ATOM 702 C THR A 45 0.565 13.310 3.673 1.00 0.00 C ATOM 703 O THR A 45 0.242 13.358 4.841 1.00 0.00 O ATOM 704 CB THR A 45 -1.609 12.864 2.525 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.187 11.520 2.334 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.526 13.289 1.379 1.00 0.00 C ATOM 0 H THR A 45 0.226 12.921 0.722 1.00 0.00 H new ATOM 0 HA THR A 45 -0.714 14.807 2.799 1.00 0.00 H new ATOM 0 HB THR A 45 -2.155 12.934 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.053 11.352 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.393 12.629 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.857 14.315 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.983 13.226 0.436 1.00 0.00 H new ATOM 714 N GLY A 46 1.743 12.868 3.312 1.00 0.00 N ATOM 715 CA GLY A 46 2.730 12.410 4.345 1.00 0.00 C ATOM 716 C GLY A 46 3.373 11.086 3.938 1.00 0.00 C ATOM 717 O GLY A 46 3.418 10.724 2.781 1.00 0.00 O ATOM 0 H GLY A 46 2.067 12.803 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.502 13.168 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.229 12.295 5.306 1.00 0.00 H new ATOM 721 N ILE A 47 3.880 10.373 4.911 1.00 0.00 N ATOM 722 CA ILE A 47 4.551 9.059 4.650 1.00 0.00 C ATOM 723 C ILE A 47 3.914 7.980 5.518 1.00 0.00 C ATOM 724 O ILE A 47 3.689 8.165 6.696 1.00 0.00 O ATOM 725 CB ILE A 47 6.043 9.174 4.979 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.689 10.257 4.081 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.719 7.824 4.723 1.00 0.00 C ATOM 728 CD1 ILE A 47 6.706 11.602 4.814 1.00 0.00 C ATOM 0 H ILE A 47 3.858 10.649 5.893 1.00 0.00 H new ATOM 0 HA ILE A 47 4.433 8.791 3.600 1.00 0.00 H new ATOM 0 HB ILE A 47 6.168 9.454 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.705 9.964 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.132 10.348 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.781 7.899 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.262 7.063 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.595 7.548 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.162 12.359 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.685 11.898 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.283 11.508 5.734 1.00 0.00 H new ATOM 740 N ILE A 48 3.614 6.852 4.924 1.00 0.00 N ATOM 741 CA ILE A 48 2.973 5.727 5.679 1.00 0.00 C ATOM 742 C ILE A 48 3.760 4.434 5.479 1.00 0.00 C ATOM 743 O ILE A 48 4.421 4.230 4.480 1.00 0.00 O ATOM 744 CB ILE A 48 1.533 5.537 5.190 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.838 4.484 6.059 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.524 5.072 3.728 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.671 4.533 5.813 1.00 0.00 C ATOM 0 H ILE A 48 3.787 6.659 3.938 1.00 0.00 H new ATOM 0 HA ILE A 48 2.969 5.972 6.741 1.00 0.00 H new ATOM 0 HB ILE A 48 1.006 6.488 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.223 3.492 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.052 4.668 7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.495 4.941 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.015 5.820 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.056 4.124 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.165 3.784 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.050 5.522 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.875 4.328 4.762 1.00 0.00 H new ATOM 759 N LYS A 49 3.695 3.568 6.452 1.00 0.00 N ATOM 760 CA LYS A 49 4.429 2.274 6.386 1.00 0.00 C ATOM 761 C LYS A 49 3.606 1.256 5.609 1.00 0.00 C ATOM 762 O LYS A 49 2.394 1.325 5.557 1.00 0.00 O ATOM 763 CB LYS A 49 4.667 1.756 7.810 1.00 0.00 C ATOM 764 CG LYS A 49 5.446 2.799 8.623 1.00 0.00 C ATOM 765 CD LYS A 49 6.880 2.919 8.090 1.00 0.00 C ATOM 766 CE LYS A 49 7.774 3.570 9.147 1.00 0.00 C ATOM 767 NZ LYS A 49 8.114 2.566 10.195 1.00 0.00 N ATOM 0 H LYS A 49 3.154 3.706 7.306 1.00 0.00 H new ATOM 0 HA LYS A 49 5.384 2.424 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.713 1.544 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.223 0.819 7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.946 3.766 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.463 2.513 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.265 1.933 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.889 3.514 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.684 3.951 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.264 4.422 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.920 2.909 10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.294 2.424 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.365 1.664 9.743 1.00 0.00 H new ATOM 781 N PHE A 50 4.265 0.303 5.003 1.00 0.00 N ATOM 782 CA PHE A 50 3.529 -0.735 4.225 1.00 0.00 C ATOM 783 C PHE A 50 4.261 -2.075 4.304 1.00 0.00 C ATOM 784 O PHE A 50 5.459 -2.145 4.504 1.00 0.00 O ATOM 785 CB PHE A 50 3.407 -0.296 2.760 1.00 0.00 C ATOM 786 CG PHE A 50 4.709 -0.527 2.017 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.768 0.377 2.150 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.853 -1.657 1.199 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.964 0.158 1.461 1.00 0.00 C ATOM 790 CE2 PHE A 50 6.053 -1.877 0.513 1.00 0.00 C ATOM 791 CZ PHE A 50 7.108 -0.969 0.643 1.00 0.00 C ATOM 0 H PHE A 50 5.280 0.199 5.014 1.00 0.00 H new ATOM 0 HA PHE A 50 2.533 -0.853 4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.603 -0.851 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.139 0.760 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.661 1.244 2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.037 -2.358 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.779 0.860 1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.164 -2.748 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.034 -1.137 0.113 1.00 0.00 H new ATOM 801 N THR A 51 3.527 -3.139 4.127 1.00 0.00 N ATOM 802 CA THR A 51 4.130 -4.503 4.170 1.00 0.00 C ATOM 803 C THR A 51 3.467 -5.391 3.117 1.00 0.00 C ATOM 804 O THR A 51 2.269 -5.356 2.915 1.00 0.00 O ATOM 805 CB THR A 51 3.933 -5.106 5.566 1.00 0.00 C ATOM 806 OG1 THR A 51 4.706 -6.292 5.671 1.00 0.00 O ATOM 807 CG2 THR A 51 2.461 -5.442 5.810 1.00 0.00 C ATOM 0 H THR A 51 2.522 -3.122 3.952 1.00 0.00 H new ATOM 0 HA THR A 51 5.197 -4.437 3.957 1.00 0.00 H new ATOM 0 HB THR A 51 4.252 -4.377 6.311 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.587 -6.683 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.345 -5.868 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.863 -4.534 5.732 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.124 -6.163 5.065 1.00 0.00 H new ATOM 815 N ILE A 52 4.259 -6.190 2.444 1.00 0.00 N ATOM 816 CA ILE A 52 3.710 -7.098 1.386 1.00 0.00 C ATOM 817 C ILE A 52 3.643 -8.529 1.916 1.00 0.00 C ATOM 818 O ILE A 52 4.642 -9.144 2.227 1.00 0.00 O ATOM 819 CB ILE A 52 4.614 -7.054 0.147 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.675 -5.621 -0.398 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.041 -7.983 -0.925 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.758 -5.519 -1.479 1.00 0.00 C ATOM 0 H ILE A 52 5.268 -6.253 2.582 1.00 0.00 H new ATOM 0 HA ILE A 52 2.708 -6.766 1.116 1.00 0.00 H new ATOM 0 HB ILE A 52 5.619 -7.378 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.707 -5.339 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.890 -4.924 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.679 -7.956 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.998 -9.001 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.037 -7.654 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.796 -4.499 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.725 -5.782 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.524 -6.204 -2.294 1.00 0.00 H new ATOM 834 N TRP A 53 2.451 -9.053 2.014 1.00 0.00 N ATOM 835 CA TRP A 53 2.267 -10.445 2.515 1.00 0.00 C ATOM 836 C TRP A 53 2.411 -11.424 1.355 1.00 0.00 C ATOM 837 O TRP A 53 1.930 -11.192 0.265 1.00 0.00 O ATOM 838 CB TRP A 53 0.870 -10.590 3.131 1.00 0.00 C ATOM 839 CG TRP A 53 0.765 -9.736 4.356 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.552 -8.400 4.350 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.852 -10.130 5.759 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.506 -7.947 5.657 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.686 -8.975 6.561 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.058 -11.361 6.408 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.724 -9.039 7.955 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.095 -11.429 7.812 1.00 0.00 C ATOM 847 CH2 TRP A 53 0.929 -10.271 8.583 1.00 0.00 C ATOM 0 H TRP A 53 1.588 -8.570 1.765 1.00 0.00 H new ATOM 0 HA TRP A 53 3.021 -10.660 3.272 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.111 -10.297 2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.681 -11.633 3.386 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.437 -7.787 3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.357 -6.973 5.920 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.189 -12.260 5.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.596 -8.143 8.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.252 -12.380 8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.959 -10.330 9.661 1.00 0.00 H new ATOM 858 N LYS A 54 3.081 -12.513 1.592 1.00 0.00 N ATOM 859 CA LYS A 54 3.284 -13.532 0.523 1.00 0.00 C ATOM 860 C LYS A 54 2.118 -14.513 0.529 1.00 0.00 C ATOM 861 O LYS A 54 2.300 -15.713 0.529 1.00 0.00 O ATOM 862 CB LYS A 54 4.601 -14.272 0.779 1.00 0.00 C ATOM 863 CG LYS A 54 5.781 -13.316 0.521 1.00 0.00 C ATOM 864 CD LYS A 54 6.170 -13.349 -0.970 1.00 0.00 C ATOM 865 CE LYS A 54 7.145 -14.501 -1.226 1.00 0.00 C ATOM 866 NZ LYS A 54 7.554 -14.493 -2.656 1.00 0.00 N ATOM 0 H LYS A 54 3.503 -12.746 2.491 1.00 0.00 H new ATOM 0 HA LYS A 54 3.330 -13.046 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.632 -14.638 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.675 -15.143 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.508 -12.302 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.634 -13.605 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.279 -13.471 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.628 -12.402 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.021 -14.400 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.675 -15.452 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.217 -15.275 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.714 -14.609 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.018 -13.589 -2.879 1.00 0.00 H new ATOM 880 N ASN A 55 0.922 -13.993 0.540 1.00 0.00 N ATOM 881 CA ASN A 55 -0.290 -14.861 0.547 1.00 0.00 C ATOM 882 C ASN A 55 -0.410 -15.553 -0.811 1.00 0.00 C ATOM 883 O ASN A 55 -1.296 -16.351 -1.036 1.00 0.00 O ATOM 884 CB ASN A 55 -1.535 -13.998 0.792 1.00 0.00 C ATOM 885 CG ASN A 55 -1.546 -13.490 2.235 1.00 0.00 C ATOM 886 OD1 ASN A 55 -0.816 -13.984 3.071 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.357 -12.523 2.563 1.00 0.00 N ATOM 0 H ASN A 55 0.730 -12.991 0.544 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.207 -15.607 1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.544 -13.155 0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.435 -14.581 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.379 -12.180 3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.969 -12.110 1.859 1.00 0.00 H new ATOM 894 N ALA A 56 0.485 -15.252 -1.715 1.00 0.00 N ATOM 895 CA ALA A 56 0.448 -15.890 -3.066 1.00 0.00 C ATOM 896 C ALA A 56 1.831 -15.788 -3.720 1.00 0.00 C ATOM 897 O ALA A 56 2.657 -16.665 -3.587 1.00 0.00 O ATOM 898 CB ALA A 56 -0.568 -15.170 -3.951 1.00 0.00 C ATOM 0 H ALA A 56 1.246 -14.587 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 56 0.164 -16.937 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.591 -15.639 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.556 -15.233 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.283 -14.123 -4.055 1.00 0.00 H new ATOM 904 N GLU A 57 2.077 -14.713 -4.425 1.00 0.00 N ATOM 905 CA GLU A 57 3.396 -14.517 -5.104 1.00 0.00 C ATOM 906 C GLU A 57 3.386 -13.188 -5.866 1.00 0.00 C ATOM 907 O GLU A 57 3.348 -13.147 -7.082 1.00 0.00 O ATOM 908 CB GLU A 57 3.670 -15.672 -6.071 1.00 0.00 C ATOM 909 CG GLU A 57 2.412 -15.984 -6.894 1.00 0.00 C ATOM 910 CD GLU A 57 2.736 -17.053 -7.941 1.00 0.00 C ATOM 911 OE1 GLU A 57 3.903 -17.382 -8.085 1.00 0.00 O ATOM 912 OE2 GLU A 57 1.810 -17.526 -8.581 1.00 0.00 O ATOM 0 H GLU A 57 1.411 -13.952 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 57 4.185 -14.497 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.493 -15.412 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.978 -16.557 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.614 -16.332 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.051 -15.079 -7.383 1.00 0.00 H new ATOM 919 N LEU A 58 3.422 -12.097 -5.146 1.00 0.00 N ATOM 920 CA LEU A 58 3.416 -10.757 -5.794 1.00 0.00 C ATOM 921 C LEU A 58 4.863 -10.308 -6.047 1.00 0.00 C ATOM 922 O LEU A 58 5.742 -10.565 -5.245 1.00 0.00 O ATOM 923 CB LEU A 58 2.723 -9.745 -4.872 1.00 0.00 C ATOM 924 CG LEU A 58 1.449 -10.370 -4.296 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.681 -9.320 -3.491 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.566 -10.879 -5.439 1.00 0.00 C ATOM 0 H LEU A 58 3.456 -12.080 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 58 2.879 -10.813 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.395 -9.453 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.478 -8.839 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 58 1.718 -11.202 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.225 -9.766 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.307 -8.957 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.413 -8.487 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.340 -11.324 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.299 -10.047 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.110 -11.629 -6.013 1.00 0.00 H new ATOM 938 N PRO A 59 5.109 -9.637 -7.145 1.00 0.00 N ATOM 939 CA PRO A 59 6.470 -9.150 -7.498 1.00 0.00 C ATOM 940 C PRO A 59 6.929 -7.988 -6.615 1.00 0.00 C ATOM 941 O PRO A 59 6.137 -7.273 -6.037 1.00 0.00 O ATOM 942 CB PRO A 59 6.338 -8.713 -8.962 1.00 0.00 C ATOM 943 CG PRO A 59 4.892 -8.374 -9.139 1.00 0.00 C ATOM 944 CD PRO A 59 4.121 -9.275 -8.177 1.00 0.00 C ATOM 0 HA PRO A 59 7.224 -9.922 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.973 -7.853 -9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.642 -9.510 -9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.709 -7.322 -8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.576 -8.543 -10.168 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.266 -8.755 -7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.734 -10.159 -8.684 1.00 0.00 H new ATOM 952 N LEU A 60 8.216 -7.821 -6.518 1.00 0.00 N ATOM 953 CA LEU A 60 8.789 -6.733 -5.679 1.00 0.00 C ATOM 954 C LEU A 60 8.571 -5.377 -6.334 1.00 0.00 C ATOM 955 O LEU A 60 8.599 -5.235 -7.539 1.00 0.00 O ATOM 956 CB LEU A 60 10.289 -6.975 -5.495 1.00 0.00 C ATOM 957 CG LEU A 60 10.517 -8.357 -4.873 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.020 -8.614 -4.745 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.865 -8.415 -3.481 1.00 0.00 C ATOM 0 H LEU A 60 8.907 -8.402 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 60 8.288 -6.735 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.798 -6.910 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.716 -6.203 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 60 10.069 -9.119 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.185 -9.597 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.481 -8.579 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.467 -7.850 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.030 -9.399 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.308 -7.653 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.794 -8.233 -3.573 1.00 0.00 H new ATOM 971 N LEU A 61 8.349 -4.382 -5.520 1.00 0.00 N ATOM 972 CA LEU A 61 8.114 -3.006 -6.034 1.00 0.00 C ATOM 973 C LEU A 61 9.451 -2.294 -6.223 1.00 0.00 C ATOM 974 O LEU A 61 10.340 -2.384 -5.402 1.00 0.00 O ATOM 975 CB LEU A 61 7.254 -2.232 -5.024 1.00 0.00 C ATOM 976 CG LEU A 61 5.785 -2.638 -5.171 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.635 -4.141 -4.920 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.939 -1.866 -4.153 1.00 0.00 C ATOM 0 H LEU A 61 8.320 -4.467 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 61 7.597 -3.055 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.597 -2.436 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.362 -1.160 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 61 5.447 -2.406 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.588 -4.425 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.235 -4.692 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.975 -4.377 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.893 -2.154 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.281 -2.098 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.040 -0.796 -4.333 1.00 0.00 H new ATOM 990 N GLU A 62 9.582 -1.591 -7.310 1.00 0.00 N ATOM 991 CA GLU A 62 10.847 -0.860 -7.596 1.00 0.00 C ATOM 992 C GLU A 62 10.882 0.458 -6.826 1.00 0.00 C ATOM 993 O GLU A 62 9.873 1.102 -6.618 1.00 0.00 O ATOM 994 CB GLU A 62 10.946 -0.589 -9.101 1.00 0.00 C ATOM 995 CG GLU A 62 11.160 -1.916 -9.837 1.00 0.00 C ATOM 996 CD GLU A 62 11.189 -1.679 -11.350 1.00 0.00 C ATOM 997 OE1 GLU A 62 11.037 -0.538 -11.757 1.00 0.00 O ATOM 998 OE2 GLU A 62 11.365 -2.644 -12.077 1.00 0.00 O ATOM 0 H GLU A 62 8.858 -1.490 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 62 11.693 -1.470 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.037 -0.104 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.771 0.092 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.096 -2.373 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.361 -2.614 -9.585 1.00 0.00 H new ATOM 1005 N GLN A 63 12.050 0.839 -6.393 1.00 0.00 N ATOM 1006 CA GLN A 63 12.207 2.098 -5.615 1.00 0.00 C ATOM 1007 C GLN A 63 12.251 3.300 -6.551 1.00 0.00 C ATOM 1008 O GLN A 63 13.052 3.368 -7.459 1.00 0.00 O ATOM 1009 CB GLN A 63 13.506 2.034 -4.802 1.00 0.00 C ATOM 1010 CG GLN A 63 13.659 3.325 -3.987 1.00 0.00 C ATOM 1011 CD GLN A 63 14.834 3.192 -3.013 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.286 2.100 -2.736 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.346 4.267 -2.477 1.00 0.00 N ATOM 0 H GLN A 63 12.916 0.323 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 63 11.355 2.207 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.490 1.170 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.359 1.908 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.824 4.170 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.741 3.529 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.965 5.184 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.126 4.190 -1.825 1.00 0.00 H new ATOM 1022 N GLY A 64 11.397 4.253 -6.312 1.00 0.00 N ATOM 1023 CA GLY A 64 11.363 5.482 -7.156 1.00 0.00 C ATOM 1024 C GLY A 64 10.284 5.333 -8.224 1.00 0.00 C ATOM 1025 O GLY A 64 10.396 5.866 -9.308 1.00 0.00 O ATOM 0 H GLY A 64 10.711 4.234 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.160 6.356 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.334 5.642 -7.624 1.00 0.00 H new ATOM 1029 N GLU A 65 9.230 4.621 -7.917 1.00 0.00 N ATOM 1030 CA GLU A 65 8.121 4.435 -8.902 1.00 0.00 C ATOM 1031 C GLU A 65 6.767 4.523 -8.194 1.00 0.00 C ATOM 1032 O GLU A 65 6.606 4.117 -7.052 1.00 0.00 O ATOM 1033 CB GLU A 65 8.247 3.066 -9.573 1.00 0.00 C ATOM 1034 CG GLU A 65 9.498 3.025 -10.466 1.00 0.00 C ATOM 1035 CD GLU A 65 10.735 2.700 -9.626 1.00 0.00 C ATOM 1036 OE1 GLU A 65 10.601 2.609 -8.418 1.00 0.00 O ATOM 1037 OE2 GLU A 65 11.796 2.542 -10.207 1.00 0.00 O ATOM 0 H GLU A 65 9.089 4.157 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 65 8.188 5.221 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.307 2.285 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.358 2.863 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.372 2.275 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.630 3.985 -10.965 1.00 0.00 H new ATOM 1044 N SER A 66 5.796 5.065 -8.884 1.00 0.00 N ATOM 1045 CA SER A 66 4.429 5.214 -8.314 1.00 0.00 C ATOM 1046 C SER A 66 3.714 3.870 -8.312 1.00 0.00 C ATOM 1047 O SER A 66 3.886 3.059 -9.199 1.00 0.00 O ATOM 1048 CB SER A 66 3.634 6.215 -9.153 1.00 0.00 C ATOM 1049 OG SER A 66 2.295 6.262 -8.680 1.00 0.00 O ATOM 0 H SER A 66 5.898 5.416 -9.836 1.00 0.00 H new ATOM 0 HA SER A 66 4.508 5.576 -7.289 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.089 7.203 -9.090 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.651 5.922 -10.203 1.00 0.00 H new ATOM 0 HG SER A 66 1.782 6.904 -9.214 1.00 0.00 H new ATOM 1055 N TYR A 67 2.906 3.635 -7.312 1.00 0.00 N ATOM 1056 CA TYR A 67 2.159 2.345 -7.220 1.00 0.00 C ATOM 1057 C TYR A 67 0.719 2.593 -6.799 1.00 0.00 C ATOM 1058 O TYR A 67 0.418 3.486 -6.016 1.00 0.00 O ATOM 1059 CB TYR A 67 2.838 1.438 -6.197 1.00 0.00 C ATOM 1060 CG TYR A 67 4.179 1.015 -6.737 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.272 -0.116 -7.556 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.326 1.752 -6.426 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.513 -0.510 -8.065 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.568 1.357 -6.934 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.663 0.225 -7.753 1.00 0.00 C ATOM 1066 OH TYR A 67 7.887 -0.163 -8.256 1.00 0.00 O ATOM 0 H TYR A 67 2.730 4.287 -6.548 1.00 0.00 H new ATOM 0 HA TYR A 67 2.161 1.866 -8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.961 1.963 -5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.218 0.564 -5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.385 -0.684 -7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.253 2.625 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.585 -1.381 -8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.454 1.926 -6.694 1.00 0.00 H new ATOM 0 HH TYR A 67 8.597 0.364 -7.833 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.176 1.797 -7.331 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.619 1.948 -7.004 1.00 0.00 C ATOM 1078 C LEU A 68 -2.054 0.806 -6.092 1.00 0.00 C ATOM 1079 O LEU A 68 -1.978 -0.353 -6.445 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.430 1.913 -8.313 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.722 2.732 -8.149 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.477 2.284 -6.890 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -3.372 4.229 -8.035 1.00 0.00 C ATOM 0 H LEU A 68 0.039 1.043 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.791 2.895 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.834 2.317 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.672 0.883 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.357 2.570 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.389 2.871 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.733 1.228 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.846 2.435 -6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.288 4.809 -7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.730 4.388 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.851 4.551 -8.937 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.518 1.146 -4.922 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.975 0.114 -3.948 1.00 0.00 C ATOM 1097 C LEU A 69 -4.470 -0.094 -4.101 1.00 0.00 C ATOM 1098 O LEU A 69 -5.266 0.760 -3.772 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.668 0.594 -2.525 1.00 0.00 C ATOM 1100 CG LEU A 69 -1.177 0.921 -2.404 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.883 1.437 -0.994 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.347 -0.342 -2.670 1.00 0.00 C ATOM 0 H LEU A 69 -2.601 2.108 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.457 -0.826 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.264 1.476 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.942 -0.176 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.914 1.685 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.178 1.670 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.469 2.337 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.148 0.672 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.713 -0.105 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.609 -1.109 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.556 -0.710 -3.675 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.851 -1.235 -4.605 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.300 -1.533 -4.800 1.00 0.00 C ATOM 1116 C ARG A 70 -6.808 -2.465 -3.695 1.00 0.00 C ATOM 1117 O ARG A 70 -6.179 -3.447 -3.339 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.510 -2.196 -6.163 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.183 -1.200 -7.279 1.00 0.00 C ATOM 1120 CD ARG A 70 -6.514 -1.829 -8.637 1.00 0.00 C ATOM 1121 NE ARG A 70 -6.169 -0.870 -9.731 1.00 0.00 N ATOM 1122 CZ ARG A 70 -6.653 -1.036 -10.939 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.461 -2.030 -11.208 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.328 -0.196 -11.884 1.00 0.00 N ATOM 0 H ARG A 70 -4.217 -1.980 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.858 -0.598 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.874 -3.077 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.541 -2.536 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.755 -0.283 -7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.129 -0.927 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.957 -2.757 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.573 -2.083 -8.683 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.553 -0.081 -9.537 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.722 -2.688 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.830 -2.147 -12.152 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.702 0.583 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.700 -0.319 -12.826 1.00 0.00 H new ATOM 1138 N SER A 71 -7.959 -2.130 -3.175 1.00 0.00 N ATOM 1139 CA SER A 71 -8.613 -2.919 -2.090 1.00 0.00 C ATOM 1140 C SER A 71 -7.582 -3.404 -1.076 1.00 0.00 C ATOM 1141 O SER A 71 -7.170 -4.543 -1.089 1.00 0.00 O ATOM 1142 CB SER A 71 -9.371 -4.105 -2.693 1.00 0.00 C ATOM 1143 OG SER A 71 -10.196 -3.639 -3.754 1.00 0.00 O ATOM 0 H SER A 71 -8.491 -1.311 -3.469 1.00 0.00 H new ATOM 0 HA SER A 71 -9.321 -2.274 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.668 -4.851 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.979 -4.590 -1.929 1.00 0.00 H new ATOM 0 HG SER A 71 -10.683 -4.394 -4.146 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.182 -2.531 -0.181 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.188 -2.906 0.874 1.00 0.00 C ATOM 1151 C VAL A 72 -6.791 -2.694 2.252 1.00 0.00 C ATOM 1152 O VAL A 72 -7.791 -2.022 2.413 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.923 -2.051 0.738 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.206 -2.406 -0.565 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.286 -0.558 0.732 1.00 0.00 C ATOM 0 H VAL A 72 -7.506 -1.565 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.927 -3.957 0.748 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.268 -2.252 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.306 -1.798 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.932 -3.461 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.868 -2.212 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.378 0.037 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.949 -0.348 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.789 -0.302 1.664 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.179 -3.287 3.247 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.682 -3.171 4.651 1.00 0.00 C ATOM 1167 C VAL A 73 -5.605 -2.557 5.541 1.00 0.00 C ATOM 1168 O VAL A 73 -4.443 -2.902 5.468 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.049 -4.565 5.179 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.782 -5.405 5.408 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.800 -4.414 6.503 1.00 0.00 C ATOM 0 H VAL A 73 -5.339 -3.856 3.144 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.564 -2.530 4.664 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.676 -5.070 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.061 -6.390 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.243 -5.514 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.143 -4.908 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.065 -5.400 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.164 -3.903 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.707 -3.831 6.342 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.001 -1.634 6.377 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.027 -0.961 7.286 1.00 0.00 C ATOM 1183 C VAL A 74 -4.950 -1.712 8.610 1.00 0.00 C ATOM 1184 O VAL A 74 -5.906 -1.795 9.356 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.472 0.479 7.549 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.320 1.241 8.207 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -5.842 1.155 6.225 1.00 0.00 C ATOM 0 H VAL A 74 -6.965 -1.315 6.470 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.046 -0.958 6.812 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.342 0.481 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.627 2.269 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.056 0.759 9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.456 1.238 7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.158 2.180 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.975 1.160 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.656 0.606 5.751 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.804 -2.262 8.895 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.607 -3.024 10.163 1.00 0.00 C ATOM 1199 C GLY A 75 -2.908 -2.149 11.196 1.00 0.00 C ATOM 1200 O GLY A 75 -2.538 -1.020 10.930 1.00 0.00 O ATOM 0 H GLY A 75 -2.981 -2.216 8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.570 -3.358 10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.014 -3.918 9.971 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.720 -2.678 12.377 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.043 -1.906 13.462 1.00 0.00 C ATOM 1206 C GLU A 76 -0.607 -2.390 13.618 1.00 0.00 C ATOM 1207 O GLU A 76 -0.349 -3.521 13.977 1.00 0.00 O ATOM 1208 CB GLU A 76 -2.801 -2.100 14.783 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.157 -1.395 14.699 1.00 0.00 C ATOM 1210 CD GLU A 76 -4.954 -1.653 15.980 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.420 -2.296 16.868 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.085 -1.201 16.052 1.00 0.00 O ATOM 0 H GLU A 76 -3.009 -3.620 12.639 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.038 -0.848 13.202 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.943 -3.162 14.981 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.219 -1.696 15.612 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.012 -0.324 14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.713 -1.757 13.834 1.00 0.00 H new ATOM 1219 N TYR A 77 0.327 -1.519 13.346 1.00 0.00 N ATOM 1220 CA TYR A 77 1.774 -1.873 13.465 1.00 0.00 C ATOM 1221 C TYR A 77 2.479 -0.879 14.392 1.00 0.00 C ATOM 1222 O TYR A 77 2.515 0.308 14.148 1.00 0.00 O ATOM 1223 CB TYR A 77 2.414 -1.835 12.075 1.00 0.00 C ATOM 1224 CG TYR A 77 3.900 -2.062 12.203 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.404 -3.363 12.297 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.774 -0.967 12.233 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.782 -3.573 12.419 1.00 0.00 C ATOM 1228 CE2 TYR A 77 6.152 -1.176 12.354 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.656 -2.480 12.447 1.00 0.00 C ATOM 1230 OH TYR A 77 8.016 -2.688 12.565 1.00 0.00 O ATOM 0 H TYR A 77 0.147 -0.562 13.042 1.00 0.00 H new ATOM 0 HA TYR A 77 1.873 -2.874 13.885 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.971 -2.600 11.437 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.221 -0.873 11.600 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.729 -4.206 12.275 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.384 0.038 12.163 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.171 -4.578 12.492 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.827 -0.333 12.376 1.00 0.00 H new ATOM 0 HH TYR A 77 8.480 -1.825 12.568 1.00 0.00 H new ATOM 1240 N ASN A 78 3.048 -1.385 15.451 1.00 0.00 N ATOM 1241 CA ASN A 78 3.778 -0.528 16.428 1.00 0.00 C ATOM 1242 C ASN A 78 2.856 0.580 16.935 1.00 0.00 C ATOM 1243 O ASN A 78 3.265 1.707 17.091 1.00 0.00 O ATOM 1244 CB ASN A 78 5.028 0.062 15.767 1.00 0.00 C ATOM 1245 CG ASN A 78 5.910 0.729 16.826 1.00 0.00 C ATOM 1246 OD1 ASN A 78 6.255 1.885 16.702 1.00 0.00 O ATOM 1247 ND2 ASN A 78 6.297 0.044 17.868 1.00 0.00 N ATOM 0 H ASN A 78 3.037 -2.378 15.685 1.00 0.00 H new ATOM 0 HA ASN A 78 4.091 -1.132 17.280 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.586 -0.724 15.258 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.740 0.791 15.009 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.888 0.481 18.575 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.008 -0.928 17.975 1.00 0.00 H new ATOM 1254 N ASP A 79 1.619 0.241 17.201 1.00 0.00 N ATOM 1255 CA ASP A 79 0.636 1.238 17.715 1.00 0.00 C ATOM 1256 C ASP A 79 0.306 2.233 16.606 1.00 0.00 C ATOM 1257 O ASP A 79 -0.498 3.124 16.776 1.00 0.00 O ATOM 1258 CB ASP A 79 1.235 1.965 18.923 1.00 0.00 C ATOM 1259 CG ASP A 79 0.111 2.564 19.770 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -0.887 1.890 19.954 1.00 0.00 O ATOM 1261 OD2 ASP A 79 0.269 3.689 20.212 1.00 0.00 O ATOM 0 H ASP A 79 1.245 -0.700 17.081 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.280 0.735 18.026 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.825 1.271 19.522 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.911 2.752 18.588 1.00 0.00 H new ATOM 1266 N ARG A 80 0.933 2.076 15.473 1.00 0.00 N ATOM 1267 CA ARG A 80 0.687 2.996 14.321 1.00 0.00 C ATOM 1268 C ARG A 80 -0.186 2.305 13.285 1.00 0.00 C ATOM 1269 O ARG A 80 -0.734 1.251 13.523 1.00 0.00 O ATOM 1270 CB ARG A 80 2.027 3.374 13.679 1.00 0.00 C ATOM 1271 CG ARG A 80 2.949 4.016 14.729 1.00 0.00 C ATOM 1272 CD ARG A 80 2.615 5.504 14.881 1.00 0.00 C ATOM 1273 NE ARG A 80 2.859 6.191 13.580 1.00 0.00 N ATOM 1274 CZ ARG A 80 2.649 7.478 13.454 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.223 8.192 14.466 1.00 0.00 N ATOM 1276 NH2 ARG A 80 2.868 8.054 12.305 1.00 0.00 N ATOM 0 H ARG A 80 1.615 1.340 15.292 1.00 0.00 H new ATOM 0 HA ARG A 80 0.181 3.893 14.679 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.502 2.487 13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.862 4.068 12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.831 3.509 15.687 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.991 3.897 14.431 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.575 5.628 15.183 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.229 5.950 15.663 1.00 0.00 H new ATOM 0 HE ARG A 80 3.193 5.653 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.050 7.747 15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.064 9.193 14.353 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.200 7.503 11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.707 9.056 12.198 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.322 2.911 12.134 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.176 2.324 11.053 1.00 0.00 C ATOM 1292 C PHE A 81 -0.353 2.100 9.786 1.00 0.00 C ATOM 1293 O PHE A 81 0.474 2.906 9.405 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.333 3.282 10.746 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.323 3.260 11.890 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.310 2.269 11.942 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.257 4.235 12.894 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.227 2.247 13.001 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.174 4.213 13.953 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.161 3.221 14.004 1.00 0.00 C ATOM 0 H PHE A 81 0.125 3.795 11.893 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.567 1.365 11.392 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.953 4.293 10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.826 2.989 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.365 1.521 11.165 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.499 5.003 12.852 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.985 1.479 13.043 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.120 4.961 14.730 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.871 3.207 14.817 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.599 0.997 9.133 1.00 0.00 N ATOM 1311 CA GLN A 82 0.131 0.671 7.872 1.00 0.00 C ATOM 1312 C GLN A 82 -0.785 -0.124 6.940 1.00 0.00 C ATOM 1313 O GLN A 82 -1.680 -0.824 7.371 1.00 0.00 O ATOM 1314 CB GLN A 82 1.383 -0.154 8.198 1.00 0.00 C ATOM 1315 CG GLN A 82 1.008 -1.609 8.524 1.00 0.00 C ATOM 1316 CD GLN A 82 -0.174 -1.647 9.500 1.00 0.00 C ATOM 1317 OE1 GLN A 82 -1.160 -2.308 9.246 1.00 0.00 O ATOM 1318 NE2 GLN A 82 -0.118 -0.960 10.607 1.00 0.00 N ATOM 0 H GLN A 82 -1.283 0.298 9.423 1.00 0.00 H new ATOM 0 HA GLN A 82 0.431 1.596 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.069 -0.131 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.906 0.290 9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.749 -2.139 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.865 -2.124 8.959 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.710 -0.404 10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.902 -0.978 11.259 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.553 -0.012 5.661 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.395 -0.741 4.667 1.00 0.00 C ATOM 1329 C VAL A 83 -0.834 -2.138 4.422 1.00 0.00 C ATOM 1330 O VAL A 83 0.349 -2.326 4.213 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.439 0.050 3.355 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.001 1.446 3.629 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.032 0.175 2.756 1.00 0.00 C ATOM 0 H VAL A 83 0.190 0.558 5.257 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.407 -0.840 5.060 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.076 -0.477 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.035 2.014 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.008 1.359 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.362 1.961 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.082 0.739 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.619 0.694 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.368 -0.819 2.557 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.697 -3.119 4.463 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.268 -4.536 4.251 1.00 0.00 C ATOM 1345 C GLN A 84 -1.777 -5.042 2.906 1.00 0.00 C ATOM 1346 O GLN A 84 -2.960 -5.049 2.630 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.839 -5.413 5.371 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.176 -5.045 6.700 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.779 -5.882 7.828 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.582 -6.760 7.587 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.423 -5.645 9.062 1.00 0.00 N ATOM 0 H GLN A 84 -2.695 -2.998 4.637 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.179 -4.584 4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.918 -5.275 5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.667 -6.466 5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.101 -5.218 6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.318 -3.984 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.748 -4.908 9.265 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.820 -6.197 9.822 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.871 -5.478 2.075 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.254 -6.008 0.735 1.00 0.00 C ATOM 1362 C VAL A 85 -1.446 -7.517 0.841 1.00 0.00 C ATOM 1363 O VAL A 85 -0.616 -8.224 1.376 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.149 -5.698 -0.280 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.555 -6.245 -1.649 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.044 -4.182 -0.374 1.00 0.00 C ATOM 0 H VAL A 85 0.130 -5.490 2.269 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.180 -5.539 0.403 1.00 0.00 H new ATOM 0 HB VAL A 85 0.783 -6.164 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.228 -6.027 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.698 -7.324 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.486 -5.775 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.830 -3.959 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.887 -3.716 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.327 -3.790 0.603 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.547 -8.004 0.340 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.838 -9.469 0.403 1.00 0.00 C ATOM 1378 C ASN A 86 -3.213 -9.999 -0.980 1.00 0.00 C ATOM 1379 O ASN A 86 -3.197 -9.288 -1.966 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.006 -9.707 1.362 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.571 -9.380 2.789 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -2.412 -9.519 3.128 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.453 -8.942 3.644 1.00 0.00 N ATOM 0 H ASN A 86 -3.268 -7.445 -0.116 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.948 -9.991 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.855 -9.085 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.335 -10.744 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.170 -8.716 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.425 -8.825 3.359 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.544 -11.260 -1.040 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.914 -11.893 -2.335 1.00 0.00 C ATOM 1392 C LYS A 87 -5.065 -11.125 -2.975 1.00 0.00 C ATOM 1393 O LYS A 87 -5.053 -10.845 -4.155 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.352 -13.345 -2.075 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.838 -13.980 -3.384 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.151 -15.462 -3.154 1.00 0.00 C ATOM 1397 CE LYS A 87 -5.650 -16.090 -4.459 1.00 0.00 C ATOM 1398 NZ LYS A 87 -4.556 -16.079 -5.472 1.00 0.00 N ATOM 0 H LYS A 87 -3.574 -11.886 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.056 -11.877 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.519 -13.919 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.148 -13.367 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.727 -13.462 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.075 -13.875 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.259 -15.983 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.906 -15.568 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.981 -17.113 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.511 -15.537 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.785 -16.745 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.456 -15.121 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.663 -16.363 -5.021 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.058 -10.798 -2.198 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.236 -10.062 -2.733 1.00 0.00 C ATOM 1414 C ASN A 88 -6.793 -8.685 -3.238 1.00 0.00 C ATOM 1415 O ASN A 88 -7.312 -8.181 -4.212 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.288 -9.900 -1.626 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.936 -11.255 -1.328 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.837 -12.174 -2.115 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.608 -11.416 -0.220 1.00 0.00 N ATOM 0 H ASN A 88 -6.104 -11.012 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.672 -10.623 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.823 -9.502 -0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.048 -9.183 -1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.049 -12.313 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.692 -10.645 0.442 1.00 0.00 H new ATOM 1426 N SER A 89 -5.843 -8.074 -2.577 1.00 0.00 N ATOM 1427 CA SER A 89 -5.365 -6.727 -3.009 1.00 0.00 C ATOM 1428 C SER A 89 -4.566 -6.845 -4.298 1.00 0.00 C ATOM 1429 O SER A 89 -3.960 -7.858 -4.583 1.00 0.00 O ATOM 1430 CB SER A 89 -4.475 -6.114 -1.927 1.00 0.00 C ATOM 1431 OG SER A 89 -5.243 -5.898 -0.751 1.00 0.00 O ATOM 0 H SER A 89 -5.376 -8.453 -1.753 1.00 0.00 H new ATOM 0 HA SER A 89 -6.233 -6.089 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.637 -6.777 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.054 -5.172 -2.278 1.00 0.00 H new ATOM 0 HG SER A 89 -6.185 -5.780 -0.993 1.00 0.00 H new ATOM 1437 N SER A 90 -4.567 -5.796 -5.074 1.00 0.00 N ATOM 1438 CA SER A 90 -3.817 -5.794 -6.369 1.00 0.00 C ATOM 1439 C SER A 90 -2.986 -4.524 -6.476 1.00 0.00 C ATOM 1440 O SER A 90 -3.372 -3.471 -6.011 1.00 0.00 O ATOM 1441 CB SER A 90 -4.802 -5.841 -7.537 1.00 0.00 C ATOM 1442 OG SER A 90 -4.073 -5.860 -8.757 1.00 0.00 O ATOM 0 H SER A 90 -5.061 -4.928 -4.866 1.00 0.00 H new ATOM 0 HA SER A 90 -3.165 -6.667 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.433 -6.727 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.463 -4.975 -7.507 1.00 0.00 H new ATOM 0 HG SER A 90 -4.698 -5.892 -9.511 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.841 -4.628 -7.096 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.943 -3.445 -7.263 1.00 0.00 C ATOM 1450 C ILE A 91 -0.706 -3.176 -8.745 1.00 0.00 C ATOM 1451 O ILE A 91 -0.402 -4.066 -9.515 1.00 0.00 O ATOM 1452 CB ILE A 91 0.396 -3.709 -6.568 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.165 -3.848 -5.059 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.339 -2.534 -6.840 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.435 -4.373 -4.383 1.00 0.00 C ATOM 0 H ILE A 91 -1.484 -5.494 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.418 -2.573 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 91 0.839 -4.629 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.111 -2.883 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.665 -4.528 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.295 -2.714 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.496 -2.435 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.898 -1.616 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.263 -4.469 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.692 -5.348 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.255 -3.676 -4.558 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.844 -1.934 -9.138 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.631 -1.542 -10.565 1.00 0.00 C ATOM 1469 C GLU A 92 0.443 -0.460 -10.641 1.00 0.00 C ATOM 1470 O GLU A 92 0.308 0.616 -10.093 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.944 -1.014 -11.152 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.696 -0.523 -12.581 1.00 0.00 C ATOM 1473 CD GLU A 92 -3.021 -0.149 -13.247 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -4.009 -0.041 -12.540 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -3.022 0.026 -14.453 1.00 0.00 O ATOM 0 H GLU A 92 -1.099 -1.164 -8.520 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.306 -2.411 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.699 -1.800 -11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.330 -0.201 -10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.031 0.341 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.196 -1.300 -13.159 1.00 0.00 H new ATOM 1482 N LYS A 93 1.509 -0.756 -11.330 1.00 0.00 N ATOM 1483 CA LYS A 93 2.621 0.221 -11.480 1.00 0.00 C ATOM 1484 C LYS A 93 2.225 1.297 -12.483 1.00 0.00 C ATOM 1485 O LYS A 93 1.745 1.012 -13.559 1.00 0.00 O ATOM 1486 CB LYS A 93 3.865 -0.515 -11.978 1.00 0.00 C ATOM 1487 CG LYS A 93 5.045 0.458 -12.049 1.00 0.00 C ATOM 1488 CD LYS A 93 6.281 -0.265 -12.602 1.00 0.00 C ATOM 1489 CE LYS A 93 6.924 -1.120 -11.506 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.235 -1.633 -11.984 1.00 0.00 N ATOM 0 H LYS A 93 1.658 -1.648 -11.802 1.00 0.00 H new ATOM 0 HA LYS A 93 2.832 0.691 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.103 -1.342 -11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.676 -0.945 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.792 1.305 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.259 0.858 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.997 -0.894 -13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.001 0.463 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.061 -0.528 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.269 -1.951 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.617 -2.307 -11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.108 -2.111 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.898 -0.840 -12.097 1.00 0.00 H new ATOM 1504 N LEU A 94 2.430 2.537 -12.123 1.00 0.00 N ATOM 1505 CA LEU A 94 2.074 3.671 -13.029 1.00 0.00 C ATOM 1506 C LEU A 94 3.343 4.327 -13.570 1.00 0.00 C ATOM 1507 O LEU A 94 4.330 4.480 -12.880 1.00 0.00 O ATOM 1508 CB LEU A 94 1.238 4.697 -12.255 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.022 4.019 -11.688 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.835 5.033 -10.873 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.888 3.483 -12.839 1.00 0.00 C ATOM 0 H LEU A 94 2.834 2.816 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 94 1.492 3.293 -13.870 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.829 5.124 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.956 5.520 -12.912 1.00 0.00 H new ATOM 0 HG LEU A 94 0.280 3.193 -11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.726 4.548 -10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.227 5.409 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.130 5.863 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.778 3.004 -12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.184 4.308 -13.487 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.317 2.756 -13.416 1.00 0.00 H new ATOM 1523 N SER A 95 3.306 4.695 -14.821 1.00 0.00 N ATOM 1524 CA SER A 95 4.485 5.333 -15.477 1.00 0.00 C ATOM 1525 C SER A 95 4.540 6.812 -15.092 1.00 0.00 C ATOM 1526 O SER A 95 5.465 7.521 -15.436 1.00 0.00 O ATOM 1527 CB SER A 95 4.349 5.180 -17.000 1.00 0.00 C ATOM 1528 OG SER A 95 3.186 5.868 -17.451 1.00 0.00 O ATOM 0 H SER A 95 2.494 4.579 -15.428 1.00 0.00 H new ATOM 0 HA SER A 95 5.406 4.852 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.234 5.579 -17.495 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.284 4.125 -17.265 1.00 0.00 H new ATOM 0 HG SER A 95 3.104 5.770 -18.423 1.00 0.00 H new ATOM 1534 N GLU A 96 3.542 7.275 -14.375 1.00 0.00 N ATOM 1535 CA GLU A 96 3.498 8.703 -13.949 1.00 0.00 C ATOM 1536 C GLU A 96 4.023 8.828 -12.505 1.00 0.00 C ATOM 1537 O GLU A 96 3.409 8.326 -11.579 1.00 0.00 O ATOM 1538 CB GLU A 96 2.058 9.207 -13.988 1.00 0.00 C ATOM 1539 CG GLU A 96 1.479 8.945 -15.378 1.00 0.00 C ATOM 1540 CD GLU A 96 0.080 9.555 -15.476 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.423 10.004 -14.459 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.467 9.559 -16.566 1.00 0.00 O ATOM 0 H GLU A 96 2.749 6.714 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 96 4.117 9.293 -14.624 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.461 8.701 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.025 10.273 -13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.128 9.376 -16.140 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.433 7.873 -15.567 1.00 0.00 H new ATOM 1549 N PRO A 97 5.147 9.478 -12.308 1.00 0.00 N ATOM 1550 CA PRO A 97 5.742 9.655 -10.957 1.00 0.00 C ATOM 1551 C PRO A 97 5.002 10.702 -10.133 1.00 0.00 C ATOM 1552 O PRO A 97 4.358 11.583 -10.664 1.00 0.00 O ATOM 1553 CB PRO A 97 7.184 10.082 -11.254 1.00 0.00 C ATOM 1554 CG PRO A 97 7.117 10.774 -12.578 1.00 0.00 C ATOM 1555 CD PRO A 97 5.965 10.132 -13.345 1.00 0.00 C ATOM 0 HA PRO A 97 5.683 8.748 -10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.566 10.747 -10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.851 9.221 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.949 11.843 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.055 10.662 -13.122 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.389 10.878 -13.893 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.329 9.410 -14.076 1.00 0.00 H new ATOM 1563 N ILE A 98 5.090 10.601 -8.835 1.00 0.00 N ATOM 1564 CA ILE A 98 4.392 11.573 -7.937 1.00 0.00 C ATOM 1565 C ILE A 98 5.403 12.514 -7.289 1.00 0.00 C ATOM 1566 O ILE A 98 6.404 12.100 -6.737 1.00 0.00 O ATOM 1567 CB ILE A 98 3.629 10.804 -6.859 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.587 9.905 -7.532 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.924 11.798 -5.934 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.978 8.951 -6.502 1.00 0.00 C ATOM 0 H ILE A 98 5.622 9.878 -8.350 1.00 0.00 H new ATOM 0 HA ILE A 98 3.693 12.168 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 98 4.320 10.194 -6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.804 10.515 -7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.051 9.336 -8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.378 11.254 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.664 12.447 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.227 12.403 -6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.238 8.315 -6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.764 8.330 -6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.498 9.528 -5.711 1.00 0.00 H new ATOM 1582 N GLU A 99 5.135 13.786 -7.376 1.00 0.00 N ATOM 1583 CA GLU A 99 6.053 14.803 -6.794 1.00 0.00 C ATOM 1584 C GLU A 99 5.800 14.938 -5.299 1.00 0.00 C ATOM 1585 O GLU A 99 4.710 15.244 -4.860 1.00 0.00 O ATOM 1586 CB GLU A 99 5.820 16.154 -7.483 1.00 0.00 C ATOM 1587 CG GLU A 99 6.228 16.059 -8.963 1.00 0.00 C ATOM 1588 CD GLU A 99 5.084 15.450 -9.781 1.00 0.00 C ATOM 1589 OE1 GLU A 99 4.100 15.047 -9.183 1.00 0.00 O ATOM 1590 OE2 GLU A 99 5.212 15.401 -10.992 1.00 0.00 O ATOM 0 H GLU A 99 4.307 14.169 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 99 7.084 14.487 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.771 16.438 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.399 16.932 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.473 17.050 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.125 15.447 -9.064 1.00 0.00 H new ATOM 1597 N VAL A 100 6.821 14.712 -4.523 1.00 0.00 N ATOM 1598 CA VAL A 100 6.705 14.818 -3.039 1.00 0.00 C ATOM 1599 C VAL A 100 7.412 16.095 -2.591 1.00 0.00 C ATOM 1600 O VAL A 100 7.401 16.452 -1.432 1.00 0.00 O ATOM 1601 CB VAL A 100 7.370 13.597 -2.388 1.00 0.00 C ATOM 1602 CG1 VAL A 100 6.616 12.329 -2.793 1.00 0.00 C ATOM 1603 CG2 VAL A 100 8.830 13.483 -2.848 1.00 0.00 C ATOM 0 H VAL A 100 7.749 14.453 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 100 5.657 14.850 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 100 7.342 13.715 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.088 11.462 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.581 12.399 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.642 12.221 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.292 12.614 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.862 13.372 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.374 14.382 -2.559 1.00 0.00 H new ATOM 1613 N GLY A 101 8.027 16.785 -3.517 1.00 0.00 N ATOM 1614 CA GLY A 101 8.741 18.051 -3.174 1.00 0.00 C ATOM 1615 C GLY A 101 8.993 18.864 -4.448 1.00 0.00 C ATOM 1616 O GLY A 101 9.678 18.434 -5.352 1.00 0.00 O ATOM 0 H GLY A 101 8.065 16.524 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.148 18.635 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.687 17.824 -2.683 1.00 0.00 H new ATOM 1620 N LEU A 102 8.431 20.040 -4.512 1.00 0.00 N ATOM 1621 CA LEU A 102 8.612 20.916 -5.711 1.00 0.00 C ATOM 1622 C LEU A 102 9.868 21.777 -5.522 1.00 0.00 C ATOM 1623 O LEU A 102 10.240 22.544 -6.382 1.00 0.00 O ATOM 1624 CB LEU A 102 7.376 21.819 -5.862 1.00 0.00 C ATOM 1625 CG LEU A 102 6.240 21.028 -6.520 1.00 0.00 C ATOM 1626 CD1 LEU A 102 5.928 19.781 -5.687 1.00 0.00 C ATOM 1627 CD2 LEU A 102 4.991 21.908 -6.606 1.00 0.00 C ATOM 0 H LEU A 102 7.847 20.438 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 102 8.727 20.306 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.059 22.186 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.622 22.692 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 102 6.545 20.725 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.120 19.222 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.817 19.153 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.625 20.080 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.182 21.347 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.690 22.211 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.210 22.794 -7.202 1.00 0.00 H new ATOM 1639 N GLU A 103 10.513 21.653 -4.387 1.00 0.00 N ATOM 1640 CA GLU A 103 11.746 22.457 -4.107 1.00 0.00 C ATOM 1641 C GLU A 103 12.790 22.220 -5.198 1.00 0.00 C ATOM 1642 O GLU A 103 12.959 21.124 -5.690 1.00 0.00 O ATOM 1643 CB GLU A 103 12.319 22.049 -2.742 1.00 0.00 C ATOM 1644 CG GLU A 103 11.323 22.419 -1.638 1.00 0.00 C ATOM 1645 CD GLU A 103 11.228 23.942 -1.510 1.00 0.00 C ATOM 1646 OE1 GLU A 103 12.043 24.621 -2.112 1.00 0.00 O ATOM 1647 OE2 GLU A 103 10.351 24.400 -0.798 1.00 0.00 O ATOM 0 H GLU A 103 10.235 21.023 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 103 11.488 23.516 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.516 20.977 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.271 22.551 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.342 22.003 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.640 21.985 -0.690 1.00 0.00 H new ATOM 1654 N HIS A 104 13.477 23.261 -5.580 1.00 0.00 N ATOM 1655 CA HIS A 104 14.512 23.145 -6.646 1.00 0.00 C ATOM 1656 C HIS A 104 15.729 22.418 -6.079 1.00 0.00 C ATOM 1657 O HIS A 104 16.600 21.986 -6.803 1.00 0.00 O ATOM 1658 CB HIS A 104 14.918 24.547 -7.121 1.00 0.00 C ATOM 1659 CG HIS A 104 15.649 25.276 -6.021 1.00 0.00 C ATOM 1660 ND1 HIS A 104 15.402 25.394 -4.676 1.00 0.00 N flip ATOM 1661 CD2 HIS A 104 16.804 26.006 -6.258 1.00 0.00 C flip ATOM 1662 CE1 HIS A 104 16.386 26.182 -4.086 1.00 0.00 C flip ATOM 1663 NE2 HIS A 104 17.205 26.524 -5.082 1.00 0.00 N flip ATOM 0 H HIS A 104 13.364 24.198 -5.194 1.00 0.00 H new ATOM 0 HA HIS A 104 14.113 22.585 -7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.554 24.471 -8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.032 25.110 -7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.293 26.135 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.469 26.458 -3.045 1.00 0.00 H new ATOM 0 HE2 HIS A 104 18.034 27.107 -4.967 1.00 0.00 H new ATOM 1671 N HIS A 105 15.787 22.299 -4.780 1.00 0.00 N ATOM 1672 CA HIS A 105 16.938 21.616 -4.125 1.00 0.00 C ATOM 1673 C HIS A 105 16.872 20.119 -4.417 1.00 0.00 C ATOM 1674 O HIS A 105 15.838 19.493 -4.293 1.00 0.00 O ATOM 1675 CB HIS A 105 16.882 21.857 -2.608 1.00 0.00 C ATOM 1676 CG HIS A 105 17.910 20.995 -1.923 1.00 0.00 C ATOM 1677 ND1 HIS A 105 17.629 19.705 -1.497 1.00 0.00 N ATOM 1678 CD2 HIS A 105 19.225 21.218 -1.601 1.00 0.00 C ATOM 1679 CE1 HIS A 105 18.753 19.207 -0.948 1.00 0.00 C ATOM 1680 NE2 HIS A 105 19.755 20.090 -0.986 1.00 0.00 N ATOM 0 H HIS A 105 15.077 22.651 -4.138 1.00 0.00 H new ATOM 0 HA HIS A 105 17.873 22.017 -4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.069 22.908 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.887 21.625 -2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.766 22.132 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.835 18.215 -0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.705 19.963 -0.638 1.00 0.00 H new ATOM 1688 N HIS A 106 17.980 19.554 -4.817 1.00 0.00 N ATOM 1689 CA HIS A 106 18.030 18.095 -5.144 1.00 0.00 C ATOM 1690 C HIS A 106 18.893 17.362 -4.120 1.00 0.00 C ATOM 1691 O HIS A 106 19.830 17.902 -3.567 1.00 0.00 O ATOM 1692 CB HIS A 106 18.624 17.911 -6.543 1.00 0.00 C ATOM 1693 CG HIS A 106 17.684 18.480 -7.570 1.00 0.00 C ATOM 1694 ND1 HIS A 106 17.726 19.811 -7.953 1.00 0.00 N ATOM 1695 CD2 HIS A 106 16.680 17.907 -8.309 1.00 0.00 C ATOM 1696 CE1 HIS A 106 16.775 19.993 -8.887 1.00 0.00 C ATOM 1697 NE2 HIS A 106 16.108 18.864 -9.142 1.00 0.00 N ATOM 0 H HIS A 106 18.866 20.047 -4.933 1.00 0.00 H new ATOM 0 HA HIS A 106 17.021 17.684 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.592 18.408 -6.606 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.796 16.853 -6.740 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.379 16.871 -8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 106 16.575 20.937 -9.372 1.00 0.00 H new ATOM 0 HE2 HIS A 106 15.344 18.732 -9.805 1.00 0.00 H new ATOM 1705 N HIS A 107 18.554 16.131 -3.862 1.00 0.00 N ATOM 1706 CA HIS A 107 19.306 15.319 -2.867 1.00 0.00 C ATOM 1707 C HIS A 107 20.661 14.909 -3.432 1.00 0.00 C ATOM 1708 O HIS A 107 20.809 14.638 -4.606 1.00 0.00 O ATOM 1709 CB HIS A 107 18.496 14.063 -2.521 1.00 0.00 C ATOM 1710 CG HIS A 107 17.212 14.464 -1.845 1.00 0.00 C ATOM 1711 ND1 HIS A 107 15.980 13.958 -2.237 1.00 0.00 N ATOM 1712 CD2 HIS A 107 16.950 15.319 -0.804 1.00 0.00 C ATOM 1713 CE1 HIS A 107 15.044 14.511 -1.444 1.00 0.00 C ATOM 1714 NE2 HIS A 107 15.582 15.349 -0.552 1.00 0.00 N ATOM 0 H HIS A 107 17.775 15.645 -4.306 1.00 0.00 H new ATOM 0 HA HIS A 107 19.465 15.917 -1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.281 13.495 -3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 107 19.076 13.412 -1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.694 15.884 -0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.987 14.303 -1.519 1.00 0.00 H new ATOM 0 HE2 HIS A 107 15.095 15.893 0.160 1.00 0.00 H new ATOM 1722 N HIS A 108 21.648 14.863 -2.583 1.00 0.00 N ATOM 1723 CA HIS A 108 23.016 14.469 -3.023 1.00 0.00 C ATOM 1724 C HIS A 108 23.769 13.813 -1.863 1.00 0.00 C ATOM 1725 O HIS A 108 23.382 13.910 -0.715 1.00 0.00 O ATOM 1726 CB HIS A 108 23.778 15.710 -3.501 1.00 0.00 C ATOM 1727 CG HIS A 108 23.887 16.722 -2.389 1.00 0.00 C ATOM 1728 ND1 HIS A 108 22.812 17.498 -1.983 1.00 0.00 N ATOM 1729 CD2 HIS A 108 24.945 17.110 -1.602 1.00 0.00 C ATOM 1730 CE1 HIS A 108 23.242 18.305 -0.994 1.00 0.00 C ATOM 1731 NE2 HIS A 108 24.536 18.109 -0.723 1.00 0.00 N ATOM 0 H HIS A 108 21.565 15.084 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 108 22.937 13.755 -3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 108 24.774 15.425 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 108 23.265 16.153 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 108 25.943 16.701 -1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 108 22.618 19.023 -0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 108 25.102 18.588 -0.023 1.00 0.00 H new ATOM 1739 N HIS A 109 24.845 13.141 -2.173 1.00 0.00 N ATOM 1740 CA HIS A 109 25.652 12.459 -1.118 1.00 0.00 C ATOM 1741 C HIS A 109 27.019 12.065 -1.693 1.00 0.00 C ATOM 1742 O HIS A 109 27.584 12.859 -2.430 1.00 0.00 O ATOM 1743 CB HIS A 109 24.917 11.201 -0.649 1.00 0.00 C ATOM 1744 CG HIS A 109 25.660 10.596 0.512 1.00 0.00 C ATOM 1745 ND1 HIS A 109 26.480 9.487 0.368 1.00 0.00 N ATOM 1746 CD2 HIS A 109 25.715 10.935 1.839 1.00 0.00 C ATOM 1747 CE1 HIS A 109 26.988 9.201 1.580 1.00 0.00 C ATOM 1748 NE2 HIS A 109 26.555 10.053 2.513 1.00 0.00 N ATOM 1749 OXT HIS A 109 27.482 10.978 -1.385 1.00 0.00 O ATOM 0 H HIS A 109 25.204 13.034 -3.122 1.00 0.00 H new ATOM 0 HA HIS A 109 25.793 13.136 -0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 109 23.898 11.450 -0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 109 24.846 10.482 -1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 109 25.187 11.761 2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 109 27.664 8.382 1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 109 26.789 10.057 3.506 1.00 0.00 H new TER 1757 HIS A 109