USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 20 GLN : amide:sc= -0.15 K(o=-0.76,f=-1.5) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.613 K(o=-0.76,f=-1.5) USER MOD Set 2.1: A 16 ASN : amide:sc= -1.86! K(o=0.25!,f=-5.2) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -173:sc= 2.11 (180deg=1.05) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.21 F(o=-1,f=-0.21) USER MOD Single : A 8 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0.027) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-2.9!,f=0) USER MOD Single : A 12 ASN : amide:sc= 0.775 K(o=0.77,f=-0.0035) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 18 THR OG1 : rot 8:sc= -0.708 USER MOD Single : A 23 MET CE :methyl 153:sc= -1.3 (180deg=-3.06!) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.29 (180deg=-0.822!) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00444) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= 1.28 (180deg=1.02) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= -7.52! (180deg=-7.52!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 61 THR OG1 : rot 160:sc= 0.1 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0414 F(o=-0.83,f=-0.041) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0203) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0554 K(o=-0.055,f=-0.67) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 140:sc= -1.65 (180deg=-5.22!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -5.452 -17.636 -3.726 1.00 0.00 N ATOM 2 CA GLY A 5 -4.426 -17.156 -2.824 1.00 0.00 C ATOM 3 C GLY A 5 -4.368 -15.647 -2.795 1.00 0.00 C ATOM 4 O GLY A 5 -3.957 -15.018 -3.769 1.00 0.00 O ATOM 0 HA2 GLY A 5 -4.620 -17.532 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.458 -17.551 -3.131 1.00 0.00 H new ATOM 8 N GLN A 6 -4.801 -15.066 -1.683 1.00 0.00 N ATOM 9 CA GLN A 6 -4.778 -13.615 -1.517 1.00 0.00 C ATOM 10 C GLN A 6 -3.366 -13.148 -1.190 1.00 0.00 C ATOM 11 O GLN A 6 -3.009 -11.991 -1.402 1.00 0.00 O ATOM 12 CB GLN A 6 -5.751 -13.189 -0.416 1.00 0.00 C ATOM 13 CG GLN A 6 -7.183 -13.616 -0.684 1.00 0.00 C ATOM 14 CD GLN A 6 -8.162 -13.137 0.374 1.00 0.00 C ATOM 15 OE1 GLN A 6 -7.694 -12.972 1.603 1.00 0.00 O flip ATOM 16 NE2 GLN A 6 -9.335 -12.910 0.081 1.00 0.00 N flip ATOM 0 H GLN A 6 -5.173 -15.576 -0.882 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.092 -13.150 -2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.424 -13.614 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.716 -12.105 -0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.493 -13.232 -1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.225 -14.704 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.658 -13.049 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.985 -12.583 0.796 1.00 0.00 H new ATOM 25 N PHE A 7 -2.573 -14.069 -0.671 1.00 0.00 N ATOM 26 CA PHE A 7 -1.173 -13.816 -0.408 1.00 0.00 C ATOM 27 C PHE A 7 -0.337 -14.886 -1.081 1.00 0.00 C ATOM 28 O PHE A 7 -0.817 -15.995 -1.326 1.00 0.00 O ATOM 29 CB PHE A 7 -0.885 -13.788 1.095 1.00 0.00 C ATOM 30 CG PHE A 7 -1.341 -15.013 1.840 1.00 0.00 C ATOM 31 CD1 PHE A 7 -2.636 -15.103 2.329 1.00 0.00 C ATOM 32 CD2 PHE A 7 -0.473 -16.072 2.055 1.00 0.00 C ATOM 33 CE1 PHE A 7 -3.056 -16.229 3.012 1.00 0.00 C ATOM 34 CE2 PHE A 7 -0.889 -17.198 2.737 1.00 0.00 C ATOM 35 CZ PHE A 7 -2.180 -17.277 3.218 1.00 0.00 C ATOM 0 H PHE A 7 -2.883 -15.008 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.914 -12.837 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.188 -13.666 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.369 -12.913 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.323 -14.285 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 7 0.540 -16.016 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.068 -16.289 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -0.204 -18.018 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.505 -18.156 3.754 1.00 0.00 H new ATOM 45 N HIS A 8 0.907 -14.560 -1.374 1.00 0.00 N ATOM 46 CA HIS A 8 1.783 -15.470 -2.088 1.00 0.00 C ATOM 47 C HIS A 8 2.425 -16.462 -1.122 1.00 0.00 C ATOM 48 O HIS A 8 3.628 -16.389 -0.869 1.00 0.00 O ATOM 49 CB HIS A 8 2.862 -14.682 -2.833 1.00 0.00 C ATOM 50 CG HIS A 8 3.385 -15.378 -4.053 1.00 0.00 C ATOM 51 ND1 HIS A 8 3.653 -14.722 -5.235 1.00 0.00 N ATOM 52 CD2 HIS A 8 3.681 -16.679 -4.274 1.00 0.00 C ATOM 53 CE1 HIS A 8 4.092 -15.589 -6.127 1.00 0.00 C ATOM 54 NE2 HIS A 8 4.117 -16.784 -5.572 1.00 0.00 N ATOM 0 H HIS A 8 1.336 -13.668 -1.128 1.00 0.00 H new ATOM 0 HA HIS A 8 1.190 -16.029 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.455 -13.714 -3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.692 -14.488 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.591 -17.486 -3.562 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.382 -15.358 -7.141 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.412 -17.646 -6.031 1.00 0.00 H new ATOM 63 N ASP A 9 1.595 -17.368 -0.590 1.00 0.00 N ATOM 64 CA ASP A 9 2.014 -18.436 0.335 1.00 0.00 C ATOM 65 C ASP A 9 3.113 -17.996 1.308 1.00 0.00 C ATOM 66 O ASP A 9 2.842 -17.307 2.295 1.00 0.00 O ATOM 67 CB ASP A 9 2.414 -19.725 -0.419 1.00 0.00 C ATOM 68 CG ASP A 9 3.381 -19.514 -1.579 1.00 0.00 C ATOM 69 OD1 ASP A 9 4.605 -19.405 -1.339 1.00 0.00 O ATOM 70 OD2 ASP A 9 2.920 -19.479 -2.739 1.00 0.00 O ATOM 0 H ASP A 9 0.595 -17.382 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 9 1.138 -18.661 0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.866 -20.419 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.511 -20.202 -0.800 1.00 0.00 H new ATOM 75 N ASN A 10 4.341 -18.401 1.035 1.00 0.00 N ATOM 76 CA ASN A 10 5.483 -18.040 1.862 1.00 0.00 C ATOM 77 C ASN A 10 6.439 -17.157 1.077 1.00 0.00 C ATOM 78 O ASN A 10 7.199 -16.377 1.651 1.00 0.00 O ATOM 79 CB ASN A 10 6.230 -19.288 2.345 1.00 0.00 C ATOM 80 CG ASN A 10 5.551 -20.005 3.502 1.00 0.00 C ATOM 81 OD1 ASN A 10 4.230 -19.958 3.559 1.00 0.00 O flip ATOM 82 ND2 ASN A 10 6.220 -20.612 4.340 1.00 0.00 N flip ATOM 0 H ASN A 10 4.576 -18.989 0.235 1.00 0.00 H new ATOM 0 HA ASN A 10 5.109 -17.497 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.334 -19.982 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.237 -19.002 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.237 -20.628 4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.757 -21.098 5.107 1.00 0.00 H new ATOM 89 N ALA A 11 6.385 -17.277 -0.243 1.00 0.00 N ATOM 90 CA ALA A 11 7.263 -16.521 -1.123 1.00 0.00 C ATOM 91 C ALA A 11 6.709 -15.123 -1.379 1.00 0.00 C ATOM 92 O ALA A 11 6.362 -14.773 -2.510 1.00 0.00 O ATOM 93 CB ALA A 11 7.461 -17.265 -2.435 1.00 0.00 C ATOM 0 H ALA A 11 5.737 -17.896 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 11 8.230 -16.414 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.120 -16.689 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.908 -18.239 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.497 -17.401 -2.925 1.00 0.00 H new ATOM 99 N ASN A 12 6.626 -14.334 -0.318 1.00 0.00 N ATOM 100 CA ASN A 12 6.134 -12.970 -0.408 1.00 0.00 C ATOM 101 C ASN A 12 6.917 -12.065 0.534 1.00 0.00 C ATOM 102 O ASN A 12 7.480 -12.526 1.529 1.00 0.00 O ATOM 103 CB ASN A 12 4.633 -12.903 -0.090 1.00 0.00 C ATOM 104 CG ASN A 12 4.292 -13.377 1.314 1.00 0.00 C ATOM 105 OD1 ASN A 12 4.280 -12.595 2.263 1.00 0.00 O ATOM 106 ND2 ASN A 12 3.993 -14.661 1.452 1.00 0.00 N ATOM 0 H ASN A 12 6.896 -14.620 0.623 1.00 0.00 H new ATOM 0 HA ASN A 12 6.278 -12.623 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.289 -11.876 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.088 -13.510 -0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.742 -15.031 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.014 -15.279 0.641 1.00 0.00 H new ATOM 113 N GLY A 13 6.970 -10.786 0.199 1.00 0.00 N ATOM 114 CA GLY A 13 7.703 -9.823 1.002 1.00 0.00 C ATOM 115 C GLY A 13 7.153 -8.430 0.815 1.00 0.00 C ATOM 116 O GLY A 13 7.505 -7.738 -0.144 1.00 0.00 O ATOM 0 H GLY A 13 6.514 -10.391 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.645 -10.102 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.757 -9.841 0.725 1.00 0.00 H new ATOM 120 N GLY A 14 6.279 -8.020 1.723 1.00 0.00 N ATOM 121 CA GLY A 14 5.545 -6.784 1.538 1.00 0.00 C ATOM 122 C GLY A 14 4.413 -6.980 0.549 1.00 0.00 C ATOM 123 O GLY A 14 3.236 -6.906 0.912 1.00 0.00 O ATOM 0 H GLY A 14 6.065 -8.521 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.146 -6.445 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.218 -6.005 1.179 1.00 0.00 H new ATOM 127 N GLN A 15 4.782 -7.260 -0.693 1.00 0.00 N ATOM 128 CA GLN A 15 3.825 -7.625 -1.725 1.00 0.00 C ATOM 129 C GLN A 15 3.383 -9.073 -1.528 1.00 0.00 C ATOM 130 O GLN A 15 4.197 -9.995 -1.600 1.00 0.00 O ATOM 131 CB GLN A 15 4.439 -7.443 -3.123 1.00 0.00 C ATOM 132 CG GLN A 15 5.847 -8.012 -3.258 1.00 0.00 C ATOM 133 CD GLN A 15 6.334 -8.068 -4.694 1.00 0.00 C ATOM 134 OE1 GLN A 15 5.915 -7.279 -5.545 1.00 0.00 O ATOM 135 NE2 GLN A 15 7.241 -8.993 -4.970 1.00 0.00 N ATOM 0 H GLN A 15 5.751 -7.240 -1.012 1.00 0.00 H new ATOM 0 HA GLN A 15 2.957 -6.971 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.792 -7.922 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.463 -6.380 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.535 -7.404 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.868 -9.016 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.562 -9.627 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.619 -9.071 -5.914 1.00 0.00 H new ATOM 144 N ASN A 16 2.100 -9.267 -1.250 1.00 0.00 N ATOM 145 CA ASN A 16 1.564 -10.604 -1.033 1.00 0.00 C ATOM 146 C ASN A 16 0.838 -11.095 -2.280 1.00 0.00 C ATOM 147 O ASN A 16 1.255 -12.066 -2.903 1.00 0.00 O ATOM 148 CB ASN A 16 0.623 -10.637 0.180 1.00 0.00 C ATOM 149 CG ASN A 16 1.348 -10.510 1.512 1.00 0.00 C ATOM 150 OD1 ASN A 16 2.365 -9.826 1.627 1.00 0.00 O ATOM 151 ND2 ASN A 16 0.817 -11.162 2.535 1.00 0.00 N ATOM 0 H ASN A 16 1.413 -8.517 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 16 2.401 -11.271 -0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.101 -9.827 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.061 -11.571 0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.252 -11.107 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.027 -11.719 2.402 1.00 0.00 H new ATOM 158 N GLY A 17 -0.245 -10.421 -2.642 1.00 0.00 N ATOM 159 CA GLY A 17 -0.972 -10.781 -3.847 1.00 0.00 C ATOM 160 C GLY A 17 -2.244 -9.976 -4.014 1.00 0.00 C ATOM 161 O GLY A 17 -3.256 -10.485 -4.491 1.00 0.00 O ATOM 0 H GLY A 17 -0.634 -9.632 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.331 -10.627 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.218 -11.842 -3.817 1.00 0.00 H new ATOM 165 N THR A 18 -2.194 -8.715 -3.618 1.00 0.00 N ATOM 166 CA THR A 18 -3.356 -7.845 -3.676 1.00 0.00 C ATOM 167 C THR A 18 -2.932 -6.388 -3.812 1.00 0.00 C ATOM 168 O THR A 18 -2.068 -5.913 -3.072 1.00 0.00 O ATOM 169 CB THR A 18 -4.233 -8.042 -2.422 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.897 -9.311 -2.502 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.263 -6.931 -2.253 1.00 0.00 C ATOM 0 H THR A 18 -1.354 -8.269 -3.250 1.00 0.00 H new ATOM 0 HA THR A 18 -3.943 -8.110 -4.555 1.00 0.00 H new ATOM 0 HB THR A 18 -3.578 -8.010 -1.551 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.545 -9.817 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.854 -7.116 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.752 -5.973 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.920 -6.908 -3.123 1.00 0.00 H new ATOM 179 N VAL A 19 -3.525 -5.698 -4.781 1.00 0.00 N ATOM 180 CA VAL A 19 -3.225 -4.296 -5.031 1.00 0.00 C ATOM 181 C VAL A 19 -4.514 -3.491 -5.162 1.00 0.00 C ATOM 182 O VAL A 19 -5.439 -3.898 -5.868 1.00 0.00 O ATOM 183 CB VAL A 19 -2.391 -4.110 -6.322 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.063 -2.640 -6.551 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.116 -4.938 -6.276 1.00 0.00 C ATOM 0 H VAL A 19 -4.223 -6.094 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.643 -3.938 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.994 -4.462 -7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.477 -2.536 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.988 -2.071 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.489 -2.259 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.551 -4.787 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.511 -4.628 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.371 -5.993 -6.176 1.00 0.00 H new ATOM 195 N GLN A 20 -4.579 -2.371 -4.463 1.00 0.00 N ATOM 196 CA GLN A 20 -5.695 -1.449 -4.603 1.00 0.00 C ATOM 197 C GLN A 20 -5.193 -0.086 -5.046 1.00 0.00 C ATOM 198 O GLN A 20 -4.435 0.565 -4.331 1.00 0.00 O ATOM 199 CB GLN A 20 -6.476 -1.334 -3.292 1.00 0.00 C ATOM 200 CG GLN A 20 -7.254 -2.595 -2.945 1.00 0.00 C ATOM 201 CD GLN A 20 -7.969 -2.528 -1.603 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.168 -3.552 -0.950 1.00 0.00 O ATOM 203 NE2 GLN A 20 -8.372 -1.336 -1.184 1.00 0.00 N ATOM 0 H GLN A 20 -3.870 -2.077 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.371 -1.839 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.782 -1.108 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.169 -0.495 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.988 -2.784 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.569 -3.443 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.190 -0.508 -1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.864 -1.247 -0.295 1.00 0.00 H new ATOM 212 N GLU A 21 -5.584 0.314 -6.249 1.00 0.00 N ATOM 213 CA GLU A 21 -5.202 1.609 -6.796 1.00 0.00 C ATOM 214 C GLU A 21 -6.176 2.696 -6.360 1.00 0.00 C ATOM 215 O GLU A 21 -7.377 2.627 -6.634 1.00 0.00 O ATOM 216 CB GLU A 21 -5.113 1.537 -8.321 1.00 0.00 C ATOM 217 CG GLU A 21 -3.932 0.713 -8.793 1.00 0.00 C ATOM 218 CD GLU A 21 -3.924 0.462 -10.285 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.869 -0.173 -10.789 1.00 0.00 O ATOM 220 OE2 GLU A 21 -2.959 0.891 -10.955 1.00 0.00 O ATOM 0 H GLU A 21 -6.170 -0.245 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.218 1.868 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.033 1.107 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.033 2.546 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.010 1.223 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.937 -0.245 -8.272 1.00 0.00 H new ATOM 227 N ILE A 22 -5.644 3.686 -5.659 1.00 0.00 N ATOM 228 CA ILE A 22 -6.444 4.788 -5.136 1.00 0.00 C ATOM 229 C ILE A 22 -6.198 6.051 -5.958 1.00 0.00 C ATOM 230 O ILE A 22 -5.221 6.128 -6.702 1.00 0.00 O ATOM 231 CB ILE A 22 -6.099 5.076 -3.652 1.00 0.00 C ATOM 232 CG1 ILE A 22 -5.971 3.766 -2.867 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.160 5.963 -3.006 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.228 2.916 -2.872 1.00 0.00 C ATOM 0 H ILE A 22 -4.651 3.750 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.493 4.498 -5.204 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.144 5.602 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.150 3.184 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.706 3.997 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.894 6.150 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.217 6.911 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.128 5.463 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.055 2.007 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.049 3.478 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.484 2.651 -3.898 1.00 0.00 H new ATOM 246 N MET A 23 -7.092 7.025 -5.822 1.00 0.00 N ATOM 247 CA MET A 23 -6.953 8.317 -6.471 1.00 0.00 C ATOM 248 C MET A 23 -6.651 9.368 -5.415 1.00 0.00 C ATOM 249 O MET A 23 -7.554 9.890 -4.766 1.00 0.00 O ATOM 250 CB MET A 23 -8.238 8.676 -7.220 1.00 0.00 C ATOM 251 CG MET A 23 -8.600 7.707 -8.338 1.00 0.00 C ATOM 252 SD MET A 23 -7.872 8.132 -9.941 1.00 0.00 S ATOM 253 CE MET A 23 -6.125 7.839 -9.665 1.00 0.00 C ATOM 0 H MET A 23 -7.936 6.937 -5.255 1.00 0.00 H new ATOM 0 HA MET A 23 -6.137 8.277 -7.193 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.062 8.715 -6.507 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.133 9.676 -7.641 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.275 6.705 -8.057 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.685 7.674 -8.440 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.644 7.591 -10.611 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.667 8.736 -9.249 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.001 7.011 -8.967 1.00 0.00 H new ATOM 263 N ILE A 24 -5.377 9.646 -5.222 1.00 0.00 N ATOM 264 CA ILE A 24 -4.947 10.543 -4.166 1.00 0.00 C ATOM 265 C ILE A 24 -5.058 11.998 -4.601 1.00 0.00 C ATOM 266 O ILE A 24 -4.526 12.378 -5.639 1.00 0.00 O ATOM 267 CB ILE A 24 -3.492 10.248 -3.755 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.332 8.776 -3.357 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.057 11.166 -2.626 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.322 8.316 -2.308 1.00 0.00 C ATOM 0 H ILE A 24 -4.618 9.262 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.604 10.376 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.847 10.439 -4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.443 8.155 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.321 8.618 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.027 10.941 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.127 12.203 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.705 11.013 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.147 7.265 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.196 8.911 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.337 8.440 -2.686 1.00 0.00 H new ATOM 282 N PRO A 25 -5.757 12.826 -3.803 1.00 0.00 N ATOM 283 CA PRO A 25 -5.922 14.255 -4.080 1.00 0.00 C ATOM 284 C PRO A 25 -4.606 14.936 -4.442 1.00 0.00 C ATOM 285 O PRO A 25 -3.635 14.885 -3.682 1.00 0.00 O ATOM 286 CB PRO A 25 -6.458 14.802 -2.760 1.00 0.00 C ATOM 287 CG PRO A 25 -7.199 13.663 -2.156 1.00 0.00 C ATOM 288 CD PRO A 25 -6.456 12.423 -2.567 1.00 0.00 C ATOM 0 HA PRO A 25 -6.575 14.433 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.648 15.137 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.112 15.659 -2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.237 13.754 -1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.230 13.636 -2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.754 12.103 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.136 11.590 -2.745 1.00 0.00 H new ATOM 296 N ALA A 26 -4.595 15.587 -5.600 1.00 0.00 N ATOM 297 CA ALA A 26 -3.385 16.188 -6.148 1.00 0.00 C ATOM 298 C ALA A 26 -2.853 17.303 -5.259 1.00 0.00 C ATOM 299 O ALA A 26 -1.643 17.488 -5.151 1.00 0.00 O ATOM 300 CB ALA A 26 -3.642 16.714 -7.551 1.00 0.00 C ATOM 0 H ALA A 26 -5.422 15.713 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.625 15.408 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.729 17.159 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.953 15.892 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.429 17.468 -7.519 1.00 0.00 H new ATOM 306 N GLY A 27 -3.752 18.037 -4.620 1.00 0.00 N ATOM 307 CA GLY A 27 -3.339 19.137 -3.774 1.00 0.00 C ATOM 308 C GLY A 27 -3.122 18.724 -2.333 1.00 0.00 C ATOM 309 O GLY A 27 -2.697 19.534 -1.509 1.00 0.00 O ATOM 0 H GLY A 27 -4.760 17.890 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.416 19.564 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.095 19.921 -3.812 1.00 0.00 H new ATOM 313 N LYS A 28 -3.404 17.468 -2.022 1.00 0.00 N ATOM 314 CA LYS A 28 -3.295 16.983 -0.654 1.00 0.00 C ATOM 315 C LYS A 28 -2.313 15.815 -0.570 1.00 0.00 C ATOM 316 O LYS A 28 -2.284 15.074 0.415 1.00 0.00 O ATOM 317 CB LYS A 28 -4.681 16.571 -0.165 1.00 0.00 C ATOM 318 CG LYS A 28 -4.856 16.630 1.339 1.00 0.00 C ATOM 319 CD LYS A 28 -6.315 16.782 1.697 1.00 0.00 C ATOM 320 CE LYS A 28 -6.523 16.935 3.197 1.00 0.00 C ATOM 321 NZ LYS A 28 -7.912 17.357 3.523 1.00 0.00 N ATOM 0 H LYS A 28 -3.710 16.767 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.909 17.777 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.425 17.218 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.885 15.555 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.457 15.723 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.287 17.467 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.725 17.652 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.868 15.912 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.305 15.989 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.819 17.669 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.922 17.833 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.256 18.012 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.530 16.521 3.557 1.00 0.00 H new ATOM 335 N ALA A 29 -1.490 15.674 -1.602 1.00 0.00 N ATOM 336 CA ALA A 29 -0.524 14.581 -1.676 1.00 0.00 C ATOM 337 C ALA A 29 0.602 14.768 -0.664 1.00 0.00 C ATOM 338 O ALA A 29 1.273 13.811 -0.284 1.00 0.00 O ATOM 339 CB ALA A 29 0.042 14.465 -3.083 1.00 0.00 C ATOM 0 H ALA A 29 -1.471 16.305 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.046 13.656 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.760 13.646 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.768 14.270 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.540 15.396 -3.353 1.00 0.00 H new ATOM 345 N GLY A 30 0.793 16.003 -0.219 1.00 0.00 N ATOM 346 CA GLY A 30 1.814 16.294 0.771 1.00 0.00 C ATOM 347 C GLY A 30 1.530 15.642 2.113 1.00 0.00 C ATOM 348 O GLY A 30 2.425 15.498 2.940 1.00 0.00 O ATOM 0 H GLY A 30 0.256 16.813 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.781 15.951 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.888 17.373 0.904 1.00 0.00 H new ATOM 352 N LEU A 31 0.283 15.241 2.326 1.00 0.00 N ATOM 353 CA LEU A 31 -0.104 14.580 3.564 1.00 0.00 C ATOM 354 C LEU A 31 0.093 13.072 3.461 1.00 0.00 C ATOM 355 O LEU A 31 0.577 12.437 4.399 1.00 0.00 O ATOM 356 CB LEU A 31 -1.559 14.904 3.909 1.00 0.00 C ATOM 357 CG LEU A 31 -1.817 16.351 4.327 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.284 16.555 4.657 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.949 16.721 5.519 1.00 0.00 C ATOM 0 H LEU A 31 -0.477 15.362 1.657 1.00 0.00 H new ATOM 0 HA LEU A 31 0.537 14.953 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.181 14.675 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.881 14.246 4.716 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.557 17.003 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.450 17.591 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.889 16.327 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.568 15.894 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.144 17.755 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.181 16.063 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.102 16.611 5.252 1.00 0.00 H new ATOM 371 N VAL A 32 -0.272 12.510 2.313 1.00 0.00 N ATOM 372 CA VAL A 32 -0.168 11.082 2.082 1.00 0.00 C ATOM 373 C VAL A 32 1.295 10.654 1.976 1.00 0.00 C ATOM 374 O VAL A 32 1.671 9.556 2.382 1.00 0.00 O ATOM 375 CB VAL A 32 -0.936 10.694 0.799 1.00 0.00 C ATOM 376 CG1 VAL A 32 -0.164 11.037 -0.461 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.308 9.231 0.817 1.00 0.00 C ATOM 0 H VAL A 32 -0.646 13.034 1.522 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.613 10.563 2.931 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.851 11.286 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.746 10.745 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.023 12.110 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.786 10.503 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.848 8.982 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.403 8.626 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.942 9.027 1.680 1.00 0.00 H new ATOM 387 N ILE A 33 2.112 11.540 1.426 1.00 0.00 N ATOM 388 CA ILE A 33 3.539 11.281 1.276 1.00 0.00 C ATOM 389 C ILE A 33 4.305 11.770 2.502 1.00 0.00 C ATOM 390 O ILE A 33 5.228 11.109 2.988 1.00 0.00 O ATOM 391 CB ILE A 33 4.101 11.961 0.007 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.347 11.464 -1.228 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.594 11.691 -0.136 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.664 12.237 -2.489 1.00 0.00 C ATOM 0 H ILE A 33 1.811 12.449 1.074 1.00 0.00 H new ATOM 0 HA ILE A 33 3.669 10.203 1.178 1.00 0.00 H new ATOM 0 HB ILE A 33 3.960 13.038 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.584 10.412 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.276 11.523 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.967 12.179 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.120 12.083 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.764 10.617 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.092 11.826 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.400 13.285 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.729 12.157 -2.707 1.00 0.00 H new ATOM 406 N GLY A 34 3.900 12.920 3.011 1.00 0.00 N ATOM 407 CA GLY A 34 4.556 13.499 4.159 1.00 0.00 C ATOM 408 C GLY A 34 5.381 14.706 3.783 1.00 0.00 C ATOM 409 O GLY A 34 5.887 14.790 2.667 1.00 0.00 O ATOM 0 H GLY A 34 3.121 13.467 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.808 13.786 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.197 12.752 4.627 1.00 0.00 H new ATOM 413 N LYS A 35 5.536 15.631 4.720 1.00 0.00 N ATOM 414 CA LYS A 35 6.278 16.865 4.467 1.00 0.00 C ATOM 415 C LYS A 35 7.769 16.589 4.287 1.00 0.00 C ATOM 416 O LYS A 35 8.524 17.465 3.869 1.00 0.00 O ATOM 417 CB LYS A 35 6.059 17.877 5.600 1.00 0.00 C ATOM 418 CG LYS A 35 4.667 18.500 5.621 1.00 0.00 C ATOM 419 CD LYS A 35 3.610 17.528 6.111 1.00 0.00 C ATOM 420 CE LYS A 35 2.208 18.061 5.875 1.00 0.00 C ATOM 421 NZ LYS A 35 1.937 19.308 6.640 1.00 0.00 N ATOM 0 H LYS A 35 5.159 15.553 5.664 1.00 0.00 H new ATOM 0 HA LYS A 35 5.897 17.292 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.238 17.381 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.799 18.672 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.675 19.380 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.408 18.840 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.728 16.573 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.754 17.339 7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.070 18.254 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.481 17.300 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.957 19.613 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.074 19.129 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.590 20.055 6.329 1.00 0.00 H new ATOM 435 N GLY A 36 8.183 15.374 4.610 1.00 0.00 N ATOM 436 CA GLY A 36 9.564 14.985 4.409 1.00 0.00 C ATOM 437 C GLY A 36 9.674 13.590 3.834 1.00 0.00 C ATOM 438 O GLY A 36 10.728 12.959 3.908 1.00 0.00 O ATOM 0 H GLY A 36 7.587 14.649 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.048 15.695 3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.097 15.030 5.359 1.00 0.00 H new ATOM 442 N GLY A 37 8.570 13.102 3.271 1.00 0.00 N ATOM 443 CA GLY A 37 8.533 11.752 2.727 1.00 0.00 C ATOM 444 C GLY A 37 8.588 10.681 3.805 1.00 0.00 C ATOM 445 O GLY A 37 8.587 9.486 3.506 1.00 0.00 O ATOM 0 H GLY A 37 7.696 13.620 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.622 11.626 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.372 11.617 2.044 1.00 0.00 H new ATOM 449 N GLU A 38 8.628 11.113 5.058 1.00 0.00 N ATOM 450 CA GLU A 38 8.722 10.199 6.186 1.00 0.00 C ATOM 451 C GLU A 38 7.427 9.415 6.367 1.00 0.00 C ATOM 452 O GLU A 38 7.447 8.240 6.727 1.00 0.00 O ATOM 453 CB GLU A 38 9.054 10.977 7.460 1.00 0.00 C ATOM 454 CG GLU A 38 8.081 12.110 7.758 1.00 0.00 C ATOM 455 CD GLU A 38 8.401 12.831 9.048 1.00 0.00 C ATOM 456 OE1 GLU A 38 8.006 12.334 10.125 1.00 0.00 O ATOM 457 OE2 GLU A 38 9.053 13.890 8.996 1.00 0.00 O ATOM 0 H GLU A 38 8.596 12.099 5.319 1.00 0.00 H new ATOM 0 HA GLU A 38 9.521 9.485 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.064 10.287 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.060 11.388 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.098 12.824 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.069 11.709 7.812 1.00 0.00 H new ATOM 464 N THR A 39 6.307 10.072 6.105 1.00 0.00 N ATOM 465 CA THR A 39 4.998 9.457 6.248 1.00 0.00 C ATOM 466 C THR A 39 4.882 8.207 5.384 1.00 0.00 C ATOM 467 O THR A 39 4.719 7.102 5.899 1.00 0.00 O ATOM 468 CB THR A 39 3.893 10.461 5.868 1.00 0.00 C ATOM 469 OG1 THR A 39 3.941 11.586 6.758 1.00 0.00 O ATOM 470 CG2 THR A 39 2.509 9.825 5.913 1.00 0.00 C ATOM 0 H THR A 39 6.281 11.041 5.789 1.00 0.00 H new ATOM 0 HA THR A 39 4.875 9.166 7.291 1.00 0.00 H new ATOM 0 HB THR A 39 4.073 10.787 4.844 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.239 12.225 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.759 10.567 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.469 8.991 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.308 9.462 6.921 1.00 0.00 H new ATOM 478 N ILE A 40 5.016 8.388 4.077 1.00 0.00 N ATOM 479 CA ILE A 40 4.828 7.301 3.118 1.00 0.00 C ATOM 480 C ILE A 40 5.811 6.150 3.352 1.00 0.00 C ATOM 481 O ILE A 40 5.494 4.988 3.091 1.00 0.00 O ATOM 482 CB ILE A 40 4.960 7.823 1.673 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.724 6.702 0.660 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.322 8.470 1.452 1.00 0.00 C ATOM 485 CD1 ILE A 40 4.915 7.138 -0.778 1.00 0.00 C ATOM 0 H ILE A 40 5.256 9.283 3.652 1.00 0.00 H new ATOM 0 HA ILE A 40 3.821 6.912 3.269 1.00 0.00 H new ATOM 0 HB ILE A 40 4.193 8.582 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.405 5.879 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.711 6.318 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.391 8.830 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.443 9.307 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.107 7.736 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.732 6.293 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.215 7.941 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.936 7.494 -0.918 1.00 0.00 H new ATOM 497 N LYS A 41 6.987 6.473 3.869 1.00 0.00 N ATOM 498 CA LYS A 41 8.005 5.469 4.123 1.00 0.00 C ATOM 499 C LYS A 41 7.628 4.648 5.353 1.00 0.00 C ATOM 500 O LYS A 41 7.744 3.422 5.353 1.00 0.00 O ATOM 501 CB LYS A 41 9.368 6.148 4.307 1.00 0.00 C ATOM 502 CG LYS A 41 10.572 5.234 4.100 1.00 0.00 C ATOM 503 CD LYS A 41 10.764 4.263 5.253 1.00 0.00 C ATOM 504 CE LYS A 41 12.042 3.458 5.095 1.00 0.00 C ATOM 505 NZ LYS A 41 12.242 2.512 6.224 1.00 0.00 N ATOM 0 H LYS A 41 7.258 7.424 4.120 1.00 0.00 H new ATOM 0 HA LYS A 41 8.072 4.793 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.439 6.983 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.416 6.567 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.445 4.674 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.470 5.841 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.794 4.814 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.911 3.587 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.008 2.903 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.893 4.136 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.255 2.302 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.888 2.941 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.723 1.631 6.035 1.00 0.00 H new ATOM 519 N GLN A 42 7.142 5.324 6.390 1.00 0.00 N ATOM 520 CA GLN A 42 6.760 4.651 7.628 1.00 0.00 C ATOM 521 C GLN A 42 5.571 3.739 7.391 1.00 0.00 C ATOM 522 O GLN A 42 5.440 2.693 8.024 1.00 0.00 O ATOM 523 CB GLN A 42 6.427 5.663 8.726 1.00 0.00 C ATOM 524 CG GLN A 42 7.642 6.409 9.247 1.00 0.00 C ATOM 525 CD GLN A 42 7.313 7.361 10.377 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.346 6.987 11.547 1.00 0.00 O ATOM 527 NE2 GLN A 42 6.997 8.599 10.036 1.00 0.00 N ATOM 0 H GLN A 42 7.004 6.335 6.398 1.00 0.00 H new ATOM 0 HA GLN A 42 7.609 4.052 7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.706 6.383 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.946 5.144 9.555 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.384 5.688 9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.096 6.968 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.981 8.869 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.769 9.284 10.757 1.00 0.00 H new ATOM 536 N LEU A 43 4.716 4.136 6.460 1.00 0.00 N ATOM 537 CA LEU A 43 3.530 3.363 6.125 1.00 0.00 C ATOM 538 C LEU A 43 3.917 1.987 5.590 1.00 0.00 C ATOM 539 O LEU A 43 3.225 0.999 5.830 1.00 0.00 O ATOM 540 CB LEU A 43 2.678 4.109 5.097 1.00 0.00 C ATOM 541 CG LEU A 43 2.321 5.550 5.476 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.631 6.261 4.331 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.444 5.575 6.718 1.00 0.00 C ATOM 0 H LEU A 43 4.823 4.995 5.920 1.00 0.00 H new ATOM 0 HA LEU A 43 2.943 3.228 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.210 4.121 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.755 3.551 4.939 1.00 0.00 H new ATOM 0 HG LEU A 43 3.250 6.078 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.390 7.281 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.292 6.283 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.714 5.731 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.201 6.607 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.524 5.023 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.977 5.113 7.549 1.00 0.00 H new ATOM 555 N GLN A 44 5.045 1.930 4.891 1.00 0.00 N ATOM 556 CA GLN A 44 5.538 0.677 4.327 1.00 0.00 C ATOM 557 C GLN A 44 6.059 -0.241 5.433 1.00 0.00 C ATOM 558 O GLN A 44 6.128 -1.461 5.276 1.00 0.00 O ATOM 559 CB GLN A 44 6.646 0.963 3.312 1.00 0.00 C ATOM 560 CG GLN A 44 6.220 1.928 2.216 1.00 0.00 C ATOM 561 CD GLN A 44 7.365 2.365 1.324 1.00 0.00 C ATOM 562 OE1 GLN A 44 8.318 1.620 1.089 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.280 3.587 0.826 1.00 0.00 N ATOM 0 H GLN A 44 5.637 2.738 4.701 1.00 0.00 H new ATOM 0 HA GLN A 44 4.714 0.173 3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.510 1.374 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.965 0.025 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.452 1.456 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.768 2.808 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.474 4.172 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.021 3.945 0.223 1.00 0.00 H new ATOM 572 N GLU A 45 6.425 0.361 6.557 1.00 0.00 N ATOM 573 CA GLU A 45 6.943 -0.378 7.698 1.00 0.00 C ATOM 574 C GLU A 45 5.806 -0.843 8.605 1.00 0.00 C ATOM 575 O GLU A 45 5.660 -2.034 8.885 1.00 0.00 O ATOM 576 CB GLU A 45 7.914 0.503 8.490 1.00 0.00 C ATOM 577 CG GLU A 45 9.048 1.075 7.652 1.00 0.00 C ATOM 578 CD GLU A 45 9.976 0.009 7.102 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.932 -1.140 7.591 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.763 0.319 6.186 1.00 0.00 O ATOM 0 H GLU A 45 6.371 1.369 6.702 1.00 0.00 H new ATOM 0 HA GLU A 45 7.470 -1.258 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.358 1.325 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.337 -0.082 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.628 1.645 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.625 1.773 8.259 1.00 0.00 H new ATOM 587 N ARG A 46 4.990 0.110 9.037 1.00 0.00 N ATOM 588 CA ARG A 46 3.952 -0.144 10.038 1.00 0.00 C ATOM 589 C ARG A 46 2.810 -1.008 9.508 1.00 0.00 C ATOM 590 O ARG A 46 2.197 -1.758 10.267 1.00 0.00 O ATOM 591 CB ARG A 46 3.402 1.181 10.579 1.00 0.00 C ATOM 592 CG ARG A 46 2.856 2.119 9.515 1.00 0.00 C ATOM 593 CD ARG A 46 2.562 3.492 10.091 1.00 0.00 C ATOM 594 NE ARG A 46 3.694 4.029 10.840 1.00 0.00 N ATOM 595 CZ ARG A 46 3.595 5.022 11.724 1.00 0.00 C ATOM 596 NH1 ARG A 46 2.409 5.549 12.007 1.00 0.00 N ATOM 597 NH2 ARG A 46 4.681 5.469 12.341 1.00 0.00 N ATOM 0 H ARG A 46 5.025 1.075 8.709 1.00 0.00 H new ATOM 0 HA ARG A 46 4.425 -0.705 10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.610 0.965 11.296 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.195 1.693 11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.577 2.210 8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.945 1.698 9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.306 4.176 9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.692 3.431 10.745 1.00 0.00 H new ATOM 0 HE ARG A 46 4.614 3.621 10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.570 5.194 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.337 6.309 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.590 5.053 12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.607 6.229 13.018 1.00 0.00 H new ATOM 611 N ALA A 47 2.519 -0.908 8.221 1.00 0.00 N ATOM 612 CA ALA A 47 1.396 -1.640 7.653 1.00 0.00 C ATOM 613 C ALA A 47 1.842 -2.961 7.035 1.00 0.00 C ATOM 614 O ALA A 47 1.030 -3.860 6.822 1.00 0.00 O ATOM 615 CB ALA A 47 0.670 -0.789 6.625 1.00 0.00 C ATOM 0 H ALA A 47 3.037 -0.334 7.556 1.00 0.00 H new ATOM 0 HA ALA A 47 0.708 -1.871 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.166 -1.353 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.296 0.117 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.358 -0.520 5.824 1.00 0.00 H new ATOM 621 N GLY A 48 3.138 -3.072 6.757 1.00 0.00 N ATOM 622 CA GLY A 48 3.669 -4.282 6.155 1.00 0.00 C ATOM 623 C GLY A 48 3.341 -4.379 4.680 1.00 0.00 C ATOM 624 O GLY A 48 3.421 -5.455 4.079 1.00 0.00 O ATOM 0 H GLY A 48 3.830 -2.345 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.751 -4.307 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.264 -5.151 6.673 1.00 0.00 H new ATOM 628 N VAL A 49 2.970 -3.251 4.098 1.00 0.00 N ATOM 629 CA VAL A 49 2.626 -3.180 2.688 1.00 0.00 C ATOM 630 C VAL A 49 3.604 -2.290 1.954 1.00 0.00 C ATOM 631 O VAL A 49 4.368 -1.551 2.571 1.00 0.00 O ATOM 632 CB VAL A 49 1.213 -2.599 2.466 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.147 -3.539 2.991 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.083 -1.229 3.117 1.00 0.00 C ATOM 0 H VAL A 49 2.899 -2.360 4.589 1.00 0.00 H new ATOM 0 HA VAL A 49 2.662 -4.201 2.308 1.00 0.00 H new ATOM 0 HB VAL A 49 1.065 -2.486 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.838 -3.104 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.216 -4.494 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.295 -3.696 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.079 -0.839 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.262 -1.317 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.815 -0.548 2.682 1.00 0.00 H new ATOM 644 N LYS A 50 3.576 -2.359 0.642 1.00 0.00 N ATOM 645 CA LYS A 50 4.294 -1.399 -0.158 1.00 0.00 C ATOM 646 C LYS A 50 3.290 -0.484 -0.825 1.00 0.00 C ATOM 647 O LYS A 50 2.420 -0.943 -1.560 1.00 0.00 O ATOM 648 CB LYS A 50 5.152 -2.095 -1.217 1.00 0.00 C ATOM 649 CG LYS A 50 5.867 -1.122 -2.138 1.00 0.00 C ATOM 650 CD LYS A 50 6.603 -1.833 -3.261 1.00 0.00 C ATOM 651 CE LYS A 50 7.225 -0.837 -4.225 1.00 0.00 C ATOM 652 NZ LYS A 50 7.886 -1.511 -5.373 1.00 0.00 N ATOM 0 H LYS A 50 3.067 -3.066 0.111 1.00 0.00 H new ATOM 0 HA LYS A 50 4.962 -0.825 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.890 -2.726 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.520 -2.753 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.143 -0.427 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.575 -0.530 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.380 -2.473 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.912 -2.482 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.454 -0.162 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.955 -0.226 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.297 -0.795 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.639 -2.136 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.185 -2.074 -5.896 1.00 0.00 H new ATOM 666 N MET A 51 3.394 0.803 -0.569 1.00 0.00 N ATOM 667 CA MET A 51 2.512 1.747 -1.212 1.00 0.00 C ATOM 668 C MET A 51 3.315 2.631 -2.126 1.00 0.00 C ATOM 669 O MET A 51 4.176 3.387 -1.677 1.00 0.00 O ATOM 670 CB MET A 51 1.748 2.601 -0.197 1.00 0.00 C ATOM 671 CG MET A 51 1.005 1.790 0.849 1.00 0.00 C ATOM 672 SD MET A 51 -0.295 2.739 1.657 1.00 0.00 S ATOM 673 CE MET A 51 0.545 4.299 1.898 1.00 0.00 C ATOM 0 H MET A 51 4.073 1.214 0.072 1.00 0.00 H new ATOM 0 HA MET A 51 1.774 1.185 -1.784 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.450 3.268 0.304 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.035 3.231 -0.729 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.569 0.908 0.379 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.712 1.435 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.127 5.002 2.390 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.427 4.145 2.519 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.848 4.702 0.932 1.00 0.00 H new ATOM 683 N ILE A 52 3.047 2.525 -3.405 1.00 0.00 N ATOM 684 CA ILE A 52 3.748 3.330 -4.371 1.00 0.00 C ATOM 685 C ILE A 52 2.893 4.515 -4.792 1.00 0.00 C ATOM 686 O ILE A 52 1.880 4.365 -5.483 1.00 0.00 O ATOM 687 CB ILE A 52 4.205 2.509 -5.606 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.863 3.427 -6.644 1.00 0.00 C ATOM 689 CG2 ILE A 52 3.040 1.744 -6.216 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.471 2.686 -7.816 1.00 0.00 C ATOM 0 H ILE A 52 2.351 1.891 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 52 4.653 3.700 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 52 4.944 1.778 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.119 4.130 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.640 4.015 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.389 1.178 -7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.627 1.059 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.268 2.447 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.917 3.401 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.240 2.003 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.695 2.120 -8.331 1.00 0.00 H new ATOM 702 N LEU A 53 3.276 5.687 -4.317 1.00 0.00 N ATOM 703 CA LEU A 53 2.677 6.918 -4.781 1.00 0.00 C ATOM 704 C LEU A 53 3.191 7.171 -6.182 1.00 0.00 C ATOM 705 O LEU A 53 4.330 7.607 -6.361 1.00 0.00 O ATOM 706 CB LEU A 53 3.048 8.076 -3.839 1.00 0.00 C ATOM 707 CG LEU A 53 1.983 8.467 -2.806 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.723 8.954 -3.505 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.664 7.301 -1.882 1.00 0.00 C ATOM 0 H LEU A 53 4.000 5.808 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 53 1.590 6.843 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.961 7.808 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.278 8.952 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 53 2.381 9.279 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.024 9.228 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.960 9.824 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.329 8.160 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.906 7.606 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.289 6.463 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.568 6.998 -1.354 1.00 0.00 H new ATOM 721 N ILE A 54 2.369 6.869 -7.177 1.00 0.00 N ATOM 722 CA ILE A 54 2.827 6.885 -8.552 1.00 0.00 C ATOM 723 C ILE A 54 3.011 8.309 -9.052 1.00 0.00 C ATOM 724 O ILE A 54 2.111 8.922 -9.623 1.00 0.00 O ATOM 725 CB ILE A 54 1.888 6.086 -9.488 1.00 0.00 C ATOM 726 CG1 ILE A 54 1.826 4.622 -9.033 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.365 6.171 -10.936 1.00 0.00 C ATOM 728 CD1 ILE A 54 0.930 3.754 -9.889 1.00 0.00 C ATOM 0 H ILE A 54 1.389 6.612 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 54 3.798 6.389 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 54 0.890 6.520 -9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.834 4.206 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.474 4.586 -8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.690 5.602 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.375 7.213 -11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.371 5.758 -11.013 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.938 2.734 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.087 4.144 -9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.294 3.758 -10.917 1.00 0.00 H new ATOM 740 N GLN A 55 4.194 8.830 -8.780 1.00 0.00 N ATOM 741 CA GLN A 55 4.649 10.085 -9.339 1.00 0.00 C ATOM 742 C GLN A 55 5.695 9.769 -10.397 1.00 0.00 C ATOM 743 O GLN A 55 5.877 10.502 -11.365 1.00 0.00 O ATOM 744 CB GLN A 55 5.254 10.961 -8.242 1.00 0.00 C ATOM 745 CG GLN A 55 4.400 11.048 -6.989 1.00 0.00 C ATOM 746 CD GLN A 55 5.132 11.734 -5.858 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.061 12.956 -5.702 1.00 0.00 O ATOM 748 NE2 GLN A 55 5.841 10.955 -5.059 1.00 0.00 N ATOM 0 H GLN A 55 4.871 8.387 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 55 3.815 10.629 -9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.235 10.568 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.409 11.966 -8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.482 11.593 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.108 10.045 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.872 9.949 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.356 11.360 -4.278 1.00 0.00 H new ATOM 757 N ASP A 56 6.374 8.644 -10.177 1.00 0.00 N ATOM 758 CA ASP A 56 7.324 8.085 -11.134 1.00 0.00 C ATOM 759 C ASP A 56 6.640 7.852 -12.475 1.00 0.00 C ATOM 760 O ASP A 56 7.231 8.047 -13.538 1.00 0.00 O ATOM 761 CB ASP A 56 7.877 6.766 -10.586 1.00 0.00 C ATOM 762 CG ASP A 56 8.856 6.092 -11.523 1.00 0.00 C ATOM 763 OD1 ASP A 56 10.060 6.409 -11.458 1.00 0.00 O ATOM 764 OD2 ASP A 56 8.429 5.222 -12.312 1.00 0.00 O ATOM 0 H ASP A 56 6.279 8.093 -9.324 1.00 0.00 H new ATOM 0 HA ASP A 56 8.145 8.786 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.369 6.955 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.048 6.087 -10.388 1.00 0.00 H new ATOM 769 N GLY A 57 5.389 7.428 -12.410 1.00 0.00 N ATOM 770 CA GLY A 57 4.576 7.321 -13.597 1.00 0.00 C ATOM 771 C GLY A 57 3.747 8.568 -13.791 1.00 0.00 C ATOM 772 O GLY A 57 2.661 8.691 -13.219 1.00 0.00 O ATOM 0 H GLY A 57 4.920 7.154 -11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.213 7.163 -14.467 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.922 6.452 -13.519 1.00 0.00 H new ATOM 776 N SER A 58 4.259 9.496 -14.588 1.00 0.00 N ATOM 777 CA SER A 58 3.621 10.792 -14.784 1.00 0.00 C ATOM 778 C SER A 58 2.396 10.685 -15.696 1.00 0.00 C ATOM 779 O SER A 58 2.296 11.371 -16.714 1.00 0.00 O ATOM 780 CB SER A 58 4.635 11.773 -15.375 1.00 0.00 C ATOM 781 OG SER A 58 5.851 11.748 -14.641 1.00 0.00 O ATOM 0 H SER A 58 5.124 9.373 -15.115 1.00 0.00 H new ATOM 0 HA SER A 58 3.278 11.155 -13.815 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.829 11.518 -16.417 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.220 12.781 -15.365 1.00 0.00 H new ATOM 0 HG SER A 58 6.485 12.381 -15.037 1.00 0.00 H new ATOM 787 N GLN A 59 1.466 9.819 -15.324 1.00 0.00 N ATOM 788 CA GLN A 59 0.238 9.640 -16.082 1.00 0.00 C ATOM 789 C GLN A 59 -0.892 10.446 -15.459 1.00 0.00 C ATOM 790 O GLN A 59 -1.636 11.136 -16.155 1.00 0.00 O ATOM 791 CB GLN A 59 -0.150 8.165 -16.144 1.00 0.00 C ATOM 792 CG GLN A 59 0.866 7.296 -16.854 1.00 0.00 C ATOM 793 CD GLN A 59 0.343 5.902 -17.133 1.00 0.00 C ATOM 794 OE1 GLN A 59 0.512 4.984 -16.330 1.00 0.00 O ATOM 795 NE2 GLN A 59 -0.306 5.743 -18.273 1.00 0.00 N ATOM 0 H GLN A 59 1.540 9.226 -14.497 1.00 0.00 H new ATOM 0 HA GLN A 59 0.412 9.997 -17.097 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.287 7.792 -15.129 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.111 8.072 -16.650 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.150 7.769 -17.794 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.768 7.227 -16.246 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.422 6.533 -18.908 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.691 4.831 -18.518 1.00 0.00 H new ATOM 804 N ASN A 60 -1.015 10.358 -14.143 1.00 0.00 N ATOM 805 CA ASN A 60 -2.050 11.090 -13.425 1.00 0.00 C ATOM 806 C ASN A 60 -1.407 12.024 -12.411 1.00 0.00 C ATOM 807 O ASN A 60 -1.904 12.208 -11.305 1.00 0.00 O ATOM 808 CB ASN A 60 -3.018 10.131 -12.723 1.00 0.00 C ATOM 809 CG ASN A 60 -3.671 9.142 -13.672 1.00 0.00 C ATOM 810 OD1 ASN A 60 -3.148 8.053 -13.912 1.00 0.00 O ATOM 811 ND2 ASN A 60 -4.822 9.510 -14.213 1.00 0.00 N ATOM 0 H ASN A 60 -0.412 9.788 -13.550 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.622 11.676 -14.145 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.480 9.582 -11.950 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.793 10.710 -12.221 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.308 8.883 -14.854 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.223 10.421 -13.989 1.00 0.00 H new ATOM 818 N THR A 61 -0.290 12.611 -12.804 1.00 0.00 N ATOM 819 CA THR A 61 0.442 13.529 -11.949 1.00 0.00 C ATOM 820 C THR A 61 -0.231 14.899 -11.900 1.00 0.00 C ATOM 821 O THR A 61 -0.074 15.646 -10.936 1.00 0.00 O ATOM 822 CB THR A 61 1.889 13.675 -12.441 1.00 0.00 C ATOM 823 OG1 THR A 61 1.926 13.519 -13.869 1.00 0.00 O ATOM 824 CG2 THR A 61 2.791 12.640 -11.782 1.00 0.00 C ATOM 0 H THR A 61 0.134 12.466 -13.720 1.00 0.00 H new ATOM 0 HA THR A 61 0.445 13.115 -10.941 1.00 0.00 H new ATOM 0 HB THR A 61 2.253 14.666 -12.171 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.750 13.917 -14.220 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.811 12.762 -12.146 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.772 12.777 -10.701 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.436 11.639 -12.027 1.00 0.00 H new ATOM 832 N ASN A 62 -0.989 15.214 -12.944 1.00 0.00 N ATOM 833 CA ASN A 62 -1.711 16.482 -13.018 1.00 0.00 C ATOM 834 C ASN A 62 -3.016 16.402 -12.233 1.00 0.00 C ATOM 835 O ASN A 62 -3.567 17.417 -11.807 1.00 0.00 O ATOM 836 CB ASN A 62 -1.989 16.847 -14.484 1.00 0.00 C ATOM 837 CG ASN A 62 -2.876 18.071 -14.638 1.00 0.00 C ATOM 838 OD1 ASN A 62 -4.163 17.847 -14.847 1.00 0.00 O flip ATOM 839 ND2 ASN A 62 -2.403 19.207 -14.596 1.00 0.00 N flip ATOM 0 H ASN A 62 -1.121 14.608 -13.754 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.092 17.261 -12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.042 17.026 -14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.462 15.999 -14.980 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.405 19.338 -14.432 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.009 20.017 -14.725 1.00 0.00 H new ATOM 846 N VAL A 63 -3.496 15.187 -12.031 1.00 0.00 N ATOM 847 CA VAL A 63 -4.756 14.956 -11.339 1.00 0.00 C ATOM 848 C VAL A 63 -4.540 14.089 -10.107 1.00 0.00 C ATOM 849 O VAL A 63 -3.447 14.072 -9.538 1.00 0.00 O ATOM 850 CB VAL A 63 -5.790 14.280 -12.266 1.00 0.00 C ATOM 851 CG1 VAL A 63 -6.238 15.240 -13.354 1.00 0.00 C ATOM 852 CG2 VAL A 63 -5.220 13.008 -12.876 1.00 0.00 C ATOM 0 H VAL A 63 -3.027 14.335 -12.340 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.143 15.928 -11.034 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.659 14.009 -11.666 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.966 14.746 -13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.693 16.119 -12.898 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.376 15.544 -13.948 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.966 12.550 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.332 13.251 -13.459 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.953 12.311 -12.081 1.00 0.00 H new ATOM 862 N ASP A 64 -5.592 13.399 -9.688 1.00 0.00 N ATOM 863 CA ASP A 64 -5.511 12.456 -8.582 1.00 0.00 C ATOM 864 C ASP A 64 -4.428 11.412 -8.840 1.00 0.00 C ATOM 865 O ASP A 64 -4.270 10.925 -9.958 1.00 0.00 O ATOM 866 CB ASP A 64 -6.865 11.777 -8.366 1.00 0.00 C ATOM 867 CG ASP A 64 -7.912 12.727 -7.817 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.169 13.775 -8.449 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.487 12.434 -6.749 1.00 0.00 O ATOM 0 H ASP A 64 -6.521 13.477 -10.103 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.246 13.006 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.215 11.363 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.742 10.940 -7.678 1.00 0.00 H new ATOM 874 N LYS A 65 -3.706 11.063 -7.789 1.00 0.00 N ATOM 875 CA LYS A 65 -2.511 10.241 -7.910 1.00 0.00 C ATOM 876 C LYS A 65 -2.849 8.774 -7.789 1.00 0.00 C ATOM 877 O LYS A 65 -3.576 8.373 -6.880 1.00 0.00 O ATOM 878 CB LYS A 65 -1.503 10.604 -6.820 1.00 0.00 C ATOM 879 CG LYS A 65 -1.204 12.090 -6.751 1.00 0.00 C ATOM 880 CD LYS A 65 -0.478 12.561 -7.997 1.00 0.00 C ATOM 881 CE LYS A 65 -0.440 14.078 -8.080 1.00 0.00 C ATOM 882 NZ LYS A 65 0.251 14.700 -6.917 1.00 0.00 N ATOM 0 H LYS A 65 -3.929 11.339 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.079 10.431 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.886 10.272 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.575 10.061 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.134 12.646 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.596 12.301 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.539 12.170 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.973 12.160 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.065 14.375 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.459 14.460 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.323 15.727 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.292 14.512 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.205 14.296 -6.823 1.00 0.00 H new ATOM 896 N PRO A 66 -2.325 7.957 -8.701 1.00 0.00 N ATOM 897 CA PRO A 66 -2.459 6.509 -8.629 1.00 0.00 C ATOM 898 C PRO A 66 -1.671 5.946 -7.451 1.00 0.00 C ATOM 899 O PRO A 66 -0.441 5.983 -7.438 1.00 0.00 O ATOM 900 CB PRO A 66 -1.862 6.015 -9.954 1.00 0.00 C ATOM 901 CG PRO A 66 -1.764 7.225 -10.820 1.00 0.00 C ATOM 902 CD PRO A 66 -1.564 8.377 -9.883 1.00 0.00 C ATOM 0 HA PRO A 66 -3.493 6.195 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.883 5.562 -9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.496 5.255 -10.411 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.932 7.140 -11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.668 7.356 -11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.510 8.535 -9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.943 9.310 -10.300 1.00 0.00 H new ATOM 910 N LEU A 67 -2.377 5.462 -6.447 1.00 0.00 N ATOM 911 CA LEU A 67 -1.729 4.863 -5.292 1.00 0.00 C ATOM 912 C LEU A 67 -1.937 3.364 -5.297 1.00 0.00 C ATOM 913 O LEU A 67 -3.059 2.892 -5.163 1.00 0.00 O ATOM 914 CB LEU A 67 -2.274 5.456 -3.988 1.00 0.00 C ATOM 915 CG LEU A 67 -1.860 4.711 -2.711 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.349 4.669 -2.573 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.491 5.352 -1.485 1.00 0.00 C ATOM 0 H LEU A 67 -3.396 5.471 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.663 5.081 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.941 6.491 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.362 5.475 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.222 3.686 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.082 4.136 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.081 4.155 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.041 5.686 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.184 4.808 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.165 6.389 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.577 5.319 -1.575 1.00 0.00 H new ATOM 929 N ARG A 68 -0.861 2.622 -5.463 1.00 0.00 N ATOM 930 CA ARG A 68 -0.932 1.177 -5.404 1.00 0.00 C ATOM 931 C ARG A 68 -0.486 0.680 -4.046 1.00 0.00 C ATOM 932 O ARG A 68 0.703 0.721 -3.724 1.00 0.00 O ATOM 933 CB ARG A 68 -0.074 0.531 -6.491 1.00 0.00 C ATOM 934 CG ARG A 68 -0.677 0.622 -7.877 1.00 0.00 C ATOM 935 CD ARG A 68 0.150 -0.128 -8.909 1.00 0.00 C ATOM 936 NE ARG A 68 -0.521 -0.174 -10.208 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.071 -0.860 -11.256 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.097 -1.488 -11.199 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.789 -0.907 -12.368 1.00 0.00 N ATOM 0 H ARG A 68 0.072 2.995 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.971 0.894 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.906 1.008 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.084 -0.518 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.689 0.217 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.758 1.669 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.121 0.354 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.336 -1.143 -8.559 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.388 0.352 -10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.657 -1.447 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.434 -2.012 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.683 -0.419 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.448 -1.432 -13.174 1.00 0.00 H new ATOM 953 N ILE A 69 -1.437 0.244 -3.239 1.00 0.00 N ATOM 954 CA ILE A 69 -1.106 -0.445 -2.008 1.00 0.00 C ATOM 955 C ILE A 69 -0.928 -1.917 -2.332 1.00 0.00 C ATOM 956 O ILE A 69 -1.900 -2.639 -2.569 1.00 0.00 O ATOM 957 CB ILE A 69 -2.177 -0.284 -0.901 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.484 1.190 -0.625 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.708 -0.958 0.381 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.502 1.790 -1.566 1.00 0.00 C ATOM 0 H ILE A 69 -2.436 0.354 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.193 -0.001 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.092 -0.761 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.846 1.290 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.559 1.763 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.468 -0.839 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.543 -2.019 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.777 -0.499 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.666 2.836 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.134 1.724 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.442 1.244 -1.482 1.00 0.00 H new ATOM 972 N ILE A 70 0.317 -2.341 -2.379 1.00 0.00 N ATOM 973 CA ILE A 70 0.659 -3.685 -2.793 1.00 0.00 C ATOM 974 C ILE A 70 0.963 -4.547 -1.578 1.00 0.00 C ATOM 975 O ILE A 70 1.911 -4.281 -0.834 1.00 0.00 O ATOM 976 CB ILE A 70 1.883 -3.672 -3.731 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.699 -2.625 -4.836 1.00 0.00 C ATOM 978 CG2 ILE A 70 2.093 -5.048 -4.340 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.921 -2.436 -5.709 1.00 0.00 C ATOM 0 H ILE A 70 1.121 -1.764 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.193 -4.102 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 70 2.765 -3.409 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.857 -2.917 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.439 -1.670 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.960 -5.025 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.260 -5.776 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.209 -5.332 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.714 -1.680 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.761 -2.112 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.170 -3.379 -6.196 1.00 0.00 H new ATOM 991 N GLY A 71 0.147 -5.563 -1.367 1.00 0.00 N ATOM 992 CA GLY A 71 0.363 -6.454 -0.254 1.00 0.00 C ATOM 993 C GLY A 71 -0.713 -7.506 -0.147 1.00 0.00 C ATOM 994 O GLY A 71 -0.966 -8.241 -1.097 1.00 0.00 O ATOM 0 H GLY A 71 -0.662 -5.786 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.333 -6.939 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.397 -5.877 0.670 1.00 0.00 H new ATOM 998 N ASP A 72 -1.345 -7.561 1.008 1.00 0.00 N ATOM 999 CA ASP A 72 -2.376 -8.549 1.299 1.00 0.00 C ATOM 1000 C ASP A 72 -3.677 -7.823 1.603 1.00 0.00 C ATOM 1001 O ASP A 72 -3.629 -6.770 2.238 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.949 -9.391 2.506 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.948 -10.466 2.887 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -2.841 -11.593 2.370 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -3.827 -10.194 3.734 1.00 0.00 O ATOM 0 H ASP A 72 -1.160 -6.919 1.779 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.518 -9.208 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.990 -9.860 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.795 -8.732 3.361 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.840 -8.346 1.161 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.131 -7.645 1.274 1.00 0.00 C ATOM 1012 C PRO A 73 -6.339 -6.984 2.632 1.00 0.00 C ATOM 1013 O PRO A 73 -6.874 -5.874 2.722 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.152 -8.760 1.063 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.464 -9.739 0.182 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.997 -9.672 0.529 1.00 0.00 C ATOM 0 HA PRO A 73 -6.206 -6.827 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.443 -9.215 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.062 -8.381 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.854 -10.744 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.626 -9.496 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.710 -10.475 1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.372 -9.768 -0.359 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.888 -7.664 3.676 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.061 -7.192 5.038 1.00 0.00 C ATOM 1026 C TYR A 74 -5.266 -5.906 5.292 1.00 0.00 C ATOM 1027 O TYR A 74 -5.853 -4.862 5.592 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.647 -8.294 6.011 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.760 -7.925 7.472 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -6.980 -7.553 8.026 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.646 -7.964 8.301 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.084 -7.227 9.365 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -4.744 -7.639 9.640 1.00 0.00 C ATOM 1034 CZ TYR A 74 -5.965 -7.271 10.167 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.065 -6.950 11.501 1.00 0.00 O ATOM 0 H TYR A 74 -5.395 -8.554 3.602 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.113 -6.952 5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.262 -9.174 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.615 -8.576 5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.860 -7.518 7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.689 -8.253 7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.038 -6.939 9.781 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.869 -7.673 10.272 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.185 -7.033 11.924 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.940 -5.975 5.170 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.098 -4.797 5.388 1.00 0.00 C ATOM 1047 C LYS A 75 -3.320 -3.745 4.314 1.00 0.00 C ATOM 1048 O LYS A 75 -3.239 -2.554 4.600 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.609 -5.155 5.462 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.156 -6.193 4.447 1.00 0.00 C ATOM 1051 CD LYS A 75 0.309 -6.564 4.650 1.00 0.00 C ATOM 1052 CE LYS A 75 0.751 -7.667 3.704 1.00 0.00 C ATOM 1053 NZ LYS A 75 2.212 -7.938 3.800 1.00 0.00 N ATOM 0 H LYS A 75 -3.430 -6.823 4.924 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.396 -4.384 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.023 -4.247 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.387 -5.524 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.775 -7.086 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.299 -5.805 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.931 -5.683 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.462 -6.886 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.198 -8.579 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.502 -7.387 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.490 -8.611 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.739 -7.050 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.429 -8.343 4.733 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.598 -4.174 3.087 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.875 -3.234 2.007 1.00 0.00 C ATOM 1069 C VAL A 76 -5.054 -2.338 2.368 1.00 0.00 C ATOM 1070 O VAL A 76 -5.033 -1.135 2.111 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.146 -3.959 0.668 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.698 -3.002 -0.376 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.872 -4.607 0.153 1.00 0.00 C ATOM 0 H VAL A 76 -3.637 -5.157 2.817 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.985 -2.618 1.876 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.893 -4.731 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.878 -3.542 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.634 -2.574 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.978 -2.203 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.077 -5.114 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.112 -3.841 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.511 -5.331 0.883 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.065 -2.919 3.001 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.216 -2.145 3.422 1.00 0.00 C ATOM 1085 C GLN A 77 -6.893 -1.284 4.631 1.00 0.00 C ATOM 1086 O GLN A 77 -7.246 -0.108 4.655 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.418 -3.038 3.712 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.451 -3.015 2.601 1.00 0.00 C ATOM 1089 CD GLN A 77 -9.943 -1.609 2.288 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.285 -1.304 1.146 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -9.991 -0.743 3.298 1.00 0.00 N ATOM 0 H GLN A 77 -6.108 -3.912 3.230 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.476 -1.487 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.076 -4.062 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.886 -2.718 4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.021 -3.454 1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.299 -3.638 2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.699 -1.032 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.320 0.209 3.138 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.208 -1.858 5.623 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.840 -1.101 6.823 1.00 0.00 C ATOM 1102 C GLN A 78 -5.017 0.116 6.442 1.00 0.00 C ATOM 1103 O GLN A 78 -5.231 1.216 6.946 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.025 -1.950 7.796 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.742 -3.180 8.321 1.00 0.00 C ATOM 1106 CD GLN A 78 -4.984 -3.828 9.462 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.097 -4.651 9.245 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.341 -3.475 10.688 1.00 0.00 N ATOM 0 H GLN A 78 -5.900 -2.830 5.621 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.767 -0.797 7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.107 -2.266 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.733 -1.328 8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.740 -2.902 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.868 -3.900 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.082 -2.788 10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.875 -3.890 11.494 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.075 -0.100 5.541 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.200 0.952 5.075 1.00 0.00 C ATOM 1119 C ALA A 79 -3.983 2.000 4.285 1.00 0.00 C ATOM 1120 O ALA A 79 -3.758 3.200 4.437 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.077 0.354 4.240 1.00 0.00 C ATOM 0 H ALA A 79 -3.898 -1.010 5.115 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.760 1.456 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.420 1.150 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.506 -0.348 4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.500 -0.169 3.383 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.922 1.535 3.465 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.753 2.423 2.655 1.00 0.00 C ATOM 1129 C CYS A 80 -6.612 3.327 3.532 1.00 0.00 C ATOM 1130 O CYS A 80 -6.512 4.546 3.447 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.637 1.606 1.707 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.743 2.595 0.672 1.00 0.00 S ATOM 0 H CYS A 80 -5.127 0.543 3.343 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.092 3.057 2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.997 1.005 1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.236 0.912 2.297 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.442 1.808 -0.091 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.426 2.733 4.399 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.329 3.509 5.245 1.00 0.00 C ATOM 1140 C GLU A 81 -7.545 4.411 6.196 1.00 0.00 C ATOM 1141 O GLU A 81 -8.065 5.407 6.697 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.276 2.581 6.016 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.576 1.514 6.840 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.539 0.482 7.386 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.977 -0.394 6.610 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.874 0.549 8.586 1.00 0.00 O ATOM 0 H GLU A 81 -7.480 1.723 4.535 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.933 4.150 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.897 3.184 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.945 2.094 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.826 1.017 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.047 1.987 7.667 1.00 0.00 H new ATOM 1153 N MET A 82 -6.282 4.070 6.411 1.00 0.00 N ATOM 1154 CA MET A 82 -5.395 4.871 7.245 1.00 0.00 C ATOM 1155 C MET A 82 -4.950 6.123 6.499 1.00 0.00 C ATOM 1156 O MET A 82 -5.103 7.239 6.991 1.00 0.00 O ATOM 1157 CB MET A 82 -4.170 4.050 7.665 1.00 0.00 C ATOM 1158 CG MET A 82 -3.152 4.823 8.489 1.00 0.00 C ATOM 1159 SD MET A 82 -1.804 3.775 9.082 1.00 0.00 S ATOM 1160 CE MET A 82 -1.262 2.997 7.556 1.00 0.00 C ATOM 0 H MET A 82 -5.845 3.237 6.016 1.00 0.00 H new ATOM 0 HA MET A 82 -5.942 5.170 8.139 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.505 3.187 8.240 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.680 3.666 6.770 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.741 5.633 7.886 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.653 5.283 9.341 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.174 2.936 7.545 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.682 1.993 7.490 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.601 3.589 6.706 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.433 5.935 5.292 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.867 7.040 4.529 1.00 0.00 C ATOM 1172 C VAL A 83 -4.959 7.859 3.861 1.00 0.00 C ATOM 1173 O VAL A 83 -4.812 9.064 3.661 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.862 6.550 3.466 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.737 5.777 4.126 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.540 5.700 2.402 1.00 0.00 C ATOM 0 H VAL A 83 -4.394 5.031 4.821 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.332 7.670 5.239 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.447 7.427 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.034 5.437 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.219 6.423 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.148 4.915 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.800 5.374 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.997 4.828 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.309 6.289 1.902 1.00 0.00 H new ATOM 1186 N MET A 84 -6.061 7.202 3.532 1.00 0.00 N ATOM 1187 CA MET A 84 -7.198 7.879 2.940 1.00 0.00 C ATOM 1188 C MET A 84 -7.809 8.834 3.952 1.00 0.00 C ATOM 1189 O MET A 84 -8.326 9.887 3.588 1.00 0.00 O ATOM 1190 CB MET A 84 -8.239 6.864 2.464 1.00 0.00 C ATOM 1191 CG MET A 84 -9.415 7.491 1.739 1.00 0.00 C ATOM 1192 SD MET A 84 -8.914 8.434 0.285 1.00 0.00 S ATOM 1193 CE MET A 84 -10.504 8.992 -0.324 1.00 0.00 C ATOM 0 H MET A 84 -6.189 6.199 3.666 1.00 0.00 H new ATOM 0 HA MET A 84 -6.860 8.448 2.074 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.756 6.145 1.802 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.609 6.306 3.324 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.110 6.708 1.437 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.952 8.146 2.425 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.359 9.590 -1.224 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.127 8.129 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.994 9.597 0.439 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.726 8.473 5.231 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.225 9.346 6.296 1.00 0.00 C ATOM 1205 C ASP A 85 -7.455 10.660 6.319 1.00 0.00 C ATOM 1206 O ASP A 85 -8.036 11.730 6.501 1.00 0.00 O ATOM 1207 CB ASP A 85 -8.137 8.680 7.668 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.473 9.648 8.790 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.655 10.041 8.908 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.560 10.024 9.552 1.00 0.00 O ATOM 0 H ASP A 85 -7.323 7.593 5.554 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.275 9.543 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.820 7.831 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.131 8.287 7.817 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.153 10.565 6.093 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.278 11.733 6.063 1.00 0.00 C ATOM 1217 C ILE A 86 -5.680 12.672 4.922 1.00 0.00 C ATOM 1218 O ILE A 86 -5.344 13.856 4.920 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.803 11.303 5.871 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.460 10.133 6.802 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.867 12.471 6.141 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -2.046 9.615 6.636 1.00 0.00 C ATOM 0 H ILE A 86 -5.673 9.681 5.926 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.380 12.254 7.015 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.674 10.981 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.602 10.449 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.160 9.318 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.835 12.150 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.091 13.284 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.004 12.817 7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.878 8.789 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.904 9.267 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.338 10.416 6.848 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.418 12.132 3.962 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.794 12.872 2.774 1.00 0.00 C ATOM 1236 C LEU A 87 -8.240 13.358 2.843 1.00 0.00 C ATOM 1237 O LEU A 87 -8.535 14.484 2.450 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.584 11.994 1.543 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.176 11.417 1.409 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.097 10.487 0.214 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.147 12.534 1.294 1.00 0.00 C ATOM 0 H LEU A 87 -6.769 11.175 3.988 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.160 13.756 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.299 11.172 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.809 12.580 0.652 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.951 10.841 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.087 10.084 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.805 9.668 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.342 11.039 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.151 12.102 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.365 13.140 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.188 13.160 2.185 1.00 0.00 H new ATOM 1253 N ARG A 88 -9.145 12.522 3.350 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.555 12.909 3.422 1.00 0.00 C ATOM 1255 C ARG A 88 -10.826 13.852 4.588 1.00 0.00 C ATOM 1256 O ARG A 88 -11.942 14.349 4.751 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.498 11.684 3.464 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.141 10.590 4.474 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.216 11.055 5.924 1.00 0.00 C ATOM 1260 NE ARG A 88 -12.490 11.688 6.250 1.00 0.00 N ATOM 1261 CZ ARG A 88 -12.780 12.175 7.453 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -11.933 12.010 8.464 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -13.927 12.809 7.648 1.00 0.00 N ATOM 0 H ARG A 88 -8.935 11.591 3.710 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.772 13.451 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.507 12.035 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.524 11.237 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.815 9.745 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.133 10.230 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.061 10.201 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.406 11.758 6.118 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.195 11.761 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.057 11.508 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.159 12.385 9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.585 12.922 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.152 13.184 8.570 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.804 14.101 5.383 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.917 15.028 6.495 1.00 0.00 C ATOM 1279 C GLU A 89 -9.191 16.323 6.150 1.00 0.00 C ATOM 1280 O GLU A 89 -9.862 17.281 5.712 1.00 0.00 O ATOM 1281 CB GLU A 89 -9.349 14.414 7.778 1.00 0.00 C ATOM 1282 CG GLU A 89 -9.628 15.247 9.020 1.00 0.00 C ATOM 1283 CD GLU A 89 -9.113 14.603 10.289 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -7.942 14.839 10.648 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -9.877 13.867 10.944 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.947 16.360 6.256 1.00 0.00 O ATOM 0 H GLU A 89 -8.883 13.674 5.280 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.971 15.244 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.772 13.419 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.272 14.290 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.168 16.228 8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.702 15.407 9.110 1.00 0.00 H new TER 1293 GLU A 89