USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 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 48 ASN : amide:sc= -1.59! C(o=-1.6!,f=-6.2!) USER MOD Set 1.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 GLN : amide:sc= -4.2! K(o=-5.6!,f=0.75) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 154:sc= -1.4 (180deg=0) USER MOD Set 3.1: A 6 THR OG1 : rot -40:sc= -2.96! USER MOD Set 3.2: A 29 SER OG : rot 90:sc= -2.92! USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0408 (180deg=-0.538) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.61) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.32) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.19 K(o=-2.2,f=-1.4) USER MOD Single : A 26 CYS SG : rot 35:sc= -3.62! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.145 K(o=-0.14,f=-1) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 ASN : amide:sc= -0.505 K(o=-0.5,f=-9.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 59 THR OG1 : rot -46:sc= 0.221 USER MOD Single : A 61 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 66 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.4) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -135:sc= 0.624! USER MOD Single : A 75 THR OG1 : rot 45:sc= 0.22 USER MOD Single : A 77 SER OG : rot 83:sc= 0.423 USER MOD Single : A 79 HIS : no HD1:sc=-0.00257 X(o=-0.0026,f=-0.0026) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.347! USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.374 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.937 -17.921 17.199 1.00 0.00 N ATOM 2 CA MET A 1 54.190 -16.924 16.122 1.00 0.00 C ATOM 3 C MET A 1 54.757 -15.649 16.739 1.00 0.00 C ATOM 4 O MET A 1 54.112 -15.006 17.567 1.00 0.00 O ATOM 5 CB MET A 1 52.877 -16.635 15.383 1.00 0.00 C ATOM 6 CG MET A 1 53.115 -15.571 14.312 1.00 0.00 C ATOM 7 SD MET A 1 51.614 -15.347 13.316 1.00 0.00 S ATOM 8 CE MET A 1 50.578 -14.546 14.569 1.00 0.00 C ATOM 0 H1 MET A 1 53.550 -18.792 16.782 1.00 0.00 H new ATOM 0 H2 MET A 1 54.829 -18.138 17.688 1.00 0.00 H new ATOM 0 H3 MET A 1 53.255 -17.531 17.880 1.00 0.00 H new ATOM 0 HA MET A 1 54.914 -17.316 15.407 1.00 0.00 H new ATOM 0 HB2 MET A 1 52.497 -17.548 14.925 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.119 -16.293 16.088 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.395 -14.627 14.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 53.946 -15.867 13.671 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.762 -14.014 14.080 1.00 0.00 H new ATOM 0 HE2 MET A 1 50.169 -15.301 15.240 1.00 0.00 H new ATOM 0 HE3 MET A 1 51.180 -13.840 15.142 1.00 0.00 H new ATOM 20 N ALA A 2 55.974 -15.300 16.331 1.00 0.00 N ATOM 21 CA ALA A 2 56.645 -14.108 16.844 1.00 0.00 C ATOM 22 C ALA A 2 57.794 -13.706 15.917 1.00 0.00 C ATOM 23 O ALA A 2 58.963 -13.906 16.243 1.00 0.00 O ATOM 24 CB ALA A 2 57.196 -14.384 18.245 1.00 0.00 C ATOM 0 H ALA A 2 56.517 -15.826 15.646 1.00 0.00 H new ATOM 0 HA ALA A 2 55.922 -13.294 16.890 1.00 0.00 H new ATOM 0 HB1 ALA A 2 57.695 -13.491 18.622 1.00 0.00 H new ATOM 0 HB2 ALA A 2 56.376 -14.651 18.912 1.00 0.00 H new ATOM 0 HB3 ALA A 2 57.909 -15.207 18.200 1.00 0.00 H new ATOM 30 N PRO A 3 57.478 -13.149 14.778 1.00 0.00 N ATOM 31 CA PRO A 3 58.501 -12.716 13.783 1.00 0.00 C ATOM 32 C PRO A 3 59.363 -11.573 14.327 1.00 0.00 C ATOM 33 O PRO A 3 58.879 -10.719 15.066 1.00 0.00 O ATOM 34 CB PRO A 3 57.689 -12.314 12.528 1.00 0.00 C ATOM 35 CG PRO A 3 56.236 -12.606 12.831 1.00 0.00 C ATOM 36 CD PRO A 3 56.113 -12.860 14.336 1.00 0.00 C ATOM 0 HA PRO A 3 59.215 -13.505 13.550 1.00 0.00 H new ATOM 0 HB2 PRO A 3 57.831 -11.258 12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 3 58.022 -12.877 11.656 1.00 0.00 H new ATOM 0 HG2 PRO A 3 55.608 -11.767 12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 3 55.896 -13.475 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 3 55.706 -11.991 14.852 1.00 0.00 H new ATOM 0 HD3 PRO A 3 55.445 -13.696 14.543 1.00 0.00 H new ATOM 44 N GLU A 4 60.650 -11.577 13.979 1.00 0.00 N ATOM 45 CA GLU A 4 61.569 -10.545 14.469 1.00 0.00 C ATOM 46 C GLU A 4 61.666 -9.366 13.503 1.00 0.00 C ATOM 47 O GLU A 4 60.689 -8.639 13.303 1.00 0.00 O ATOM 48 CB GLU A 4 62.955 -11.159 14.709 1.00 0.00 C ATOM 49 CG GLU A 4 63.347 -12.074 13.542 1.00 0.00 C ATOM 50 CD GLU A 4 64.750 -12.629 13.776 1.00 0.00 C ATOM 51 OE1 GLU A 4 64.937 -13.819 13.579 1.00 0.00 O ATOM 52 OE2 GLU A 4 65.616 -11.856 14.151 1.00 0.00 O1- ATOM 0 H GLU A 4 61.077 -12.273 13.368 1.00 0.00 H new ATOM 0 HA GLU A 4 61.175 -10.160 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 4 63.695 -10.367 14.822 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.951 -11.727 15.639 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.632 -12.892 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 4 63.316 -11.518 12.605 1.00 0.00 H new ATOM 59 N VAL A 5 62.840 -9.171 12.909 1.00 0.00 N ATOM 60 CA VAL A 5 63.030 -8.069 11.974 1.00 0.00 C ATOM 61 C VAL A 5 62.290 -8.368 10.678 1.00 0.00 C ATOM 62 O VAL A 5 62.474 -9.434 10.093 1.00 0.00 O ATOM 63 CB VAL A 5 64.524 -7.865 11.682 1.00 0.00 C ATOM 64 CG1 VAL A 5 65.062 -9.016 10.820 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.710 -6.532 10.952 1.00 0.00 C ATOM 0 H VAL A 5 63.664 -9.754 13.056 1.00 0.00 H new ATOM 0 HA VAL A 5 62.633 -7.157 12.419 1.00 0.00 H new ATOM 0 HB VAL A 5 65.078 -7.852 12.620 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.122 -8.857 10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.929 -9.960 11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.517 -9.049 9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.768 -6.378 10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.151 -6.549 10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.343 -5.719 11.579 1.00 0.00 H new ATOM 75 N THR A 6 61.444 -7.439 10.228 1.00 0.00 N ATOM 76 CA THR A 6 60.677 -7.666 8.982 1.00 0.00 C ATOM 77 C THR A 6 61.315 -6.922 7.812 1.00 0.00 C ATOM 78 O THR A 6 61.704 -5.766 7.948 1.00 0.00 O ATOM 79 CB THR A 6 59.217 -7.219 9.140 1.00 0.00 C ATOM 80 OG1 THR A 6 59.158 -5.804 9.184 1.00 0.00 O ATOM 81 CG2 THR A 6 58.599 -7.803 10.426 1.00 0.00 C ATOM 0 H THR A 6 61.269 -6.544 10.686 1.00 0.00 H new ATOM 0 HA THR A 6 60.694 -8.737 8.778 1.00 0.00 H new ATOM 0 HB THR A 6 58.648 -7.587 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 6 59.905 -5.462 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.564 -7.472 10.515 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.629 -8.892 10.382 1.00 0.00 H new ATOM 0 HG23 THR A 6 59.166 -7.459 11.291 1.00 0.00 H new ATOM 89 N ILE A 7 61.432 -7.595 6.660 1.00 0.00 N ATOM 90 CA ILE A 7 62.044 -6.981 5.474 1.00 0.00 C ATOM 91 C ILE A 7 61.005 -6.656 4.409 1.00 0.00 C ATOM 92 O ILE A 7 60.389 -7.545 3.818 1.00 0.00 O ATOM 93 CB ILE A 7 63.113 -7.902 4.875 1.00 0.00 C ATOM 94 CG1 ILE A 7 64.270 -8.089 5.875 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.663 -7.281 3.583 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.802 -8.853 7.127 1.00 0.00 C ATOM 0 H ILE A 7 61.115 -8.555 6.524 1.00 0.00 H new ATOM 0 HA ILE A 7 62.508 -6.050 5.801 1.00 0.00 H new ATOM 0 HB ILE A 7 62.662 -8.870 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 7 65.084 -8.633 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 7 64.665 -7.115 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.423 -7.937 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.852 -7.154 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 7 64.105 -6.310 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.639 -8.971 7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 7 63.005 -8.294 7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.431 -9.836 6.836 1.00 0.00 H new ATOM 108 N LEU A 8 60.857 -5.359 4.160 1.00 0.00 N ATOM 109 CA LEU A 8 59.935 -4.838 3.146 1.00 0.00 C ATOM 110 C LEU A 8 60.697 -3.908 2.208 1.00 0.00 C ATOM 111 O LEU A 8 61.128 -2.829 2.615 1.00 0.00 O ATOM 112 CB LEU A 8 58.801 -4.063 3.832 1.00 0.00 C ATOM 113 CG LEU A 8 57.757 -3.591 2.803 1.00 0.00 C ATOM 114 CD1 LEU A 8 57.119 -4.791 2.082 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.669 -2.788 3.528 1.00 0.00 C ATOM 0 H LEU A 8 61.374 -4.633 4.656 1.00 0.00 H new ATOM 0 HA LEU A 8 59.510 -5.665 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.321 -4.697 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 8 59.211 -3.203 4.361 1.00 0.00 H new ATOM 0 HG LEU A 8 58.251 -2.967 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.385 -4.433 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.893 -5.357 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.627 -5.434 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.925 -2.450 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.189 -3.419 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.119 -1.924 4.017 1.00 0.00 H new ATOM 127 N GLU A 9 60.885 -4.332 0.955 1.00 0.00 N ATOM 128 CA GLU A 9 61.630 -3.522 -0.021 1.00 0.00 C ATOM 129 C GLU A 9 60.824 -3.259 -1.297 1.00 0.00 C ATOM 130 O GLU A 9 60.906 -4.039 -2.245 1.00 0.00 O ATOM 131 CB GLU A 9 62.922 -4.245 -0.399 1.00 0.00 C ATOM 132 CG GLU A 9 63.593 -4.782 0.862 1.00 0.00 C ATOM 133 CD GLU A 9 63.889 -3.619 1.793 1.00 0.00 C ATOM 134 OE1 GLU A 9 64.617 -2.733 1.379 1.00 0.00 O ATOM 135 OE2 GLU A 9 63.376 -3.621 2.898 1.00 0.00 O1- ATOM 0 H GLU A 9 60.538 -5.220 0.593 1.00 0.00 H new ATOM 0 HA GLU A 9 61.841 -2.561 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 9 62.706 -5.064 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.594 -3.563 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.944 -5.505 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 64.515 -5.304 0.606 1.00 0.00 H new ATOM 142 N PRO A 10 60.088 -2.171 -1.371 1.00 0.00 N ATOM 143 CA PRO A 10 59.316 -1.829 -2.598 1.00 0.00 C ATOM 144 C PRO A 10 60.238 -1.384 -3.740 1.00 0.00 C ATOM 145 O PRO A 10 59.790 -1.231 -4.875 1.00 0.00 O ATOM 146 CB PRO A 10 58.346 -0.702 -2.168 1.00 0.00 C ATOM 147 CG PRO A 10 58.598 -0.446 -0.701 1.00 0.00 C ATOM 148 CD PRO A 10 59.903 -1.162 -0.317 1.00 0.00 C ATOM 0 HA PRO A 10 58.777 -2.692 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.519 0.201 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.311 -0.998 -2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.678 0.624 -0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.768 -0.817 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.742 -0.467 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.828 -1.624 0.667 1.00 0.00 H new ATOM 156 N LEU A 11 61.522 -1.180 -3.440 1.00 0.00 N ATOM 157 CA LEU A 11 62.465 -0.758 -4.480 1.00 0.00 C ATOM 158 C LEU A 11 62.850 -1.941 -5.370 1.00 0.00 C ATOM 159 O LEU A 11 63.843 -2.623 -5.119 1.00 0.00 O ATOM 160 CB LEU A 11 63.739 -0.150 -3.872 1.00 0.00 C ATOM 161 CG LEU A 11 64.290 -1.062 -2.738 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.814 -1.213 -2.864 1.00 0.00 C ATOM 163 CD2 LEU A 11 63.948 -0.456 -1.369 1.00 0.00 C ATOM 0 H LEU A 11 61.926 -1.296 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 11 61.965 0.003 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.495 -0.026 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 11 63.522 0.842 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 11 63.828 -2.045 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.184 -1.854 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.057 -1.660 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.284 -0.232 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.336 -1.099 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.399 0.533 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 11 62.866 -0.371 -1.269 1.00 0.00 H new ATOM 175 N GLN A 12 62.052 -2.168 -6.412 1.00 0.00 N ATOM 176 CA GLN A 12 62.299 -3.261 -7.350 1.00 0.00 C ATOM 177 C GLN A 12 63.546 -2.990 -8.196 1.00 0.00 C ATOM 178 O GLN A 12 64.262 -3.916 -8.572 1.00 0.00 O ATOM 179 CB GLN A 12 61.082 -3.425 -8.269 1.00 0.00 C ATOM 180 CG GLN A 12 59.900 -3.990 -7.475 1.00 0.00 C ATOM 181 CD GLN A 12 60.207 -5.409 -7.017 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.658 -6.237 -7.810 1.00 0.00 O ATOM 183 NE2 GLN A 12 59.985 -5.740 -5.776 1.00 0.00 N ATOM 0 H GLN A 12 61.227 -1.608 -6.628 1.00 0.00 H new ATOM 0 HA GLN A 12 62.464 -4.175 -6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 12 60.812 -2.463 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.327 -4.091 -9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 12 59.696 -3.357 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 12 59.002 -3.985 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 12 59.612 -5.051 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 12 60.185 -6.688 -5.458 1.00 0.00 H new ATOM 192 N ASP A 13 63.799 -1.714 -8.491 1.00 0.00 N ATOM 193 CA ASP A 13 64.962 -1.334 -9.297 1.00 0.00 C ATOM 194 C ASP A 13 65.056 0.181 -9.420 1.00 0.00 C ATOM 195 O ASP A 13 64.043 0.870 -9.529 1.00 0.00 O ATOM 196 CB ASP A 13 64.861 -1.938 -10.700 1.00 0.00 C ATOM 197 CG ASP A 13 63.554 -1.502 -11.353 1.00 0.00 C ATOM 198 OD1 ASP A 13 63.365 -1.809 -12.518 1.00 0.00 O ATOM 199 OD2 ASP A 13 62.760 -0.869 -10.677 1.00 0.00 O1- ATOM 0 H ASP A 13 63.220 -0.931 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 13 65.853 -1.715 -8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.707 -1.616 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 13 64.905 -3.026 -10.643 1.00 0.00 H new ATOM 204 N VAL A 14 66.284 0.695 -9.396 1.00 0.00 N ATOM 205 CA VAL A 14 66.525 2.136 -9.493 1.00 0.00 C ATOM 206 C VAL A 14 67.380 2.458 -10.728 1.00 0.00 C ATOM 207 O VAL A 14 68.391 1.805 -10.978 1.00 0.00 O ATOM 208 CB VAL A 14 67.251 2.582 -8.218 1.00 0.00 C ATOM 209 CG1 VAL A 14 67.777 4.008 -8.366 1.00 0.00 C ATOM 210 CG2 VAL A 14 66.283 2.524 -7.034 1.00 0.00 C ATOM 0 H VAL A 14 67.131 0.134 -9.310 1.00 0.00 H new ATOM 0 HA VAL A 14 65.578 2.665 -9.596 1.00 0.00 H new ATOM 0 HB VAL A 14 68.094 1.912 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 14 68.288 4.304 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 14 68.475 4.053 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 14 66.944 4.686 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.798 2.841 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 14 65.438 3.187 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 14 65.922 1.503 -6.909 1.00 0.00 H new ATOM 220 N GLN A 15 66.961 3.467 -11.499 1.00 0.00 N ATOM 221 CA GLN A 15 67.695 3.869 -12.708 1.00 0.00 C ATOM 222 C GLN A 15 67.807 5.397 -12.776 1.00 0.00 C ATOM 223 O GLN A 15 66.818 6.085 -13.024 1.00 0.00 O ATOM 224 CB GLN A 15 66.946 3.353 -13.939 1.00 0.00 C ATOM 225 CG GLN A 15 66.963 1.818 -13.942 1.00 0.00 C ATOM 226 CD GLN A 15 66.107 1.288 -15.091 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.103 1.899 -15.446 1.00 0.00 O ATOM 228 NE2 GLN A 15 66.450 0.183 -15.696 1.00 0.00 N ATOM 0 H GLN A 15 66.124 4.018 -11.311 1.00 0.00 H new ATOM 0 HA GLN A 15 68.699 3.446 -12.679 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.918 3.716 -13.931 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.412 3.734 -14.848 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.987 1.458 -14.044 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.585 1.440 -12.992 1.00 0.00 H new ATOM 0 HE21 GLN A 15 67.285 -0.323 -15.399 1.00 0.00 H new ATOM 0 HE22 GLN A 15 65.883 -0.174 -16.465 1.00 0.00 H new ATOM 237 N LEU A 16 69.016 5.926 -12.555 1.00 0.00 N ATOM 238 CA LEU A 16 69.247 7.383 -12.588 1.00 0.00 C ATOM 239 C LEU A 16 70.181 7.749 -13.741 1.00 0.00 C ATOM 240 O LEU A 16 71.218 7.121 -13.927 1.00 0.00 O ATOM 241 CB LEU A 16 69.873 7.852 -11.255 1.00 0.00 C ATOM 242 CG LEU A 16 68.793 8.144 -10.192 1.00 0.00 C ATOM 243 CD1 LEU A 16 68.025 9.443 -10.516 1.00 0.00 C ATOM 244 CD2 LEU A 16 67.809 6.978 -10.105 1.00 0.00 C ATOM 0 H LEU A 16 69.849 5.374 -12.352 1.00 0.00 H new ATOM 0 HA LEU A 16 68.287 7.879 -12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.553 7.086 -10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 16 70.467 8.750 -11.427 1.00 0.00 H new ATOM 0 HG LEU A 16 69.296 8.270 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 16 67.271 9.621 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 16 68.722 10.281 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 16 67.539 9.346 -11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 16 67.052 7.196 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 16 67.328 6.835 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 16 68.345 6.070 -9.829 1.00 0.00 H new ATOM 256 N SER A 17 69.812 8.774 -14.505 1.00 0.00 N ATOM 257 CA SER A 17 70.641 9.207 -15.626 1.00 0.00 C ATOM 258 C SER A 17 71.945 9.813 -15.129 1.00 0.00 C ATOM 259 O SER A 17 71.999 10.393 -14.046 1.00 0.00 O ATOM 260 CB SER A 17 69.903 10.237 -16.478 1.00 0.00 C ATOM 261 OG SER A 17 70.676 10.511 -17.639 1.00 0.00 O ATOM 0 H SER A 17 68.957 9.314 -14.371 1.00 0.00 H new ATOM 0 HA SER A 17 70.861 8.329 -16.233 1.00 0.00 H new ATOM 0 HB2 SER A 17 68.920 9.859 -16.760 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.741 11.152 -15.908 1.00 0.00 H new ATOM 0 HG SER A 17 70.210 11.170 -18.194 1.00 0.00 H new ATOM 267 N GLU A 18 72.995 9.669 -15.930 1.00 0.00 N ATOM 268 CA GLU A 18 74.300 10.200 -15.557 1.00 0.00 C ATOM 269 C GLU A 18 74.196 11.679 -15.177 1.00 0.00 C ATOM 270 O GLU A 18 73.597 12.480 -15.897 1.00 0.00 O ATOM 271 CB GLU A 18 75.297 10.025 -16.712 1.00 0.00 C ATOM 272 CG GLU A 18 76.673 10.549 -16.280 1.00 0.00 C ATOM 273 CD GLU A 18 77.688 10.397 -17.407 1.00 0.00 C ATOM 274 OE1 GLU A 18 77.395 9.686 -18.353 1.00 0.00 O ATOM 275 OE2 GLU A 18 78.746 10.996 -17.305 1.00 0.00 O1- ATOM 0 H GLU A 18 72.969 9.194 -16.832 1.00 0.00 H new ATOM 0 HA GLU A 18 74.658 9.644 -14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.367 8.974 -16.991 1.00 0.00 H new ATOM 0 HB3 GLU A 18 74.949 10.566 -17.592 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.594 11.598 -15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.015 10.004 -15.400 1.00 0.00 H new ATOM 282 N GLY A 19 74.803 12.029 -14.041 1.00 0.00 N ATOM 283 CA GLY A 19 74.797 13.411 -13.559 1.00 0.00 C ATOM 284 C GLY A 19 73.594 13.697 -12.651 1.00 0.00 C ATOM 285 O GLY A 19 73.265 14.857 -12.400 1.00 0.00 O ATOM 0 H GLY A 19 75.304 11.376 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.719 13.608 -13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.779 14.092 -14.410 1.00 0.00 H new ATOM 289 N GLN A 20 72.943 12.634 -12.155 1.00 0.00 N ATOM 290 CA GLN A 20 71.780 12.778 -11.265 1.00 0.00 C ATOM 291 C GLN A 20 72.009 12.011 -9.969 1.00 0.00 C ATOM 292 O GLN A 20 72.785 11.055 -9.928 1.00 0.00 O ATOM 293 CB GLN A 20 70.511 12.245 -11.946 1.00 0.00 C ATOM 294 CG GLN A 20 70.153 13.139 -13.135 1.00 0.00 C ATOM 295 CD GLN A 20 68.891 12.626 -13.826 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.414 13.241 -14.780 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.315 11.533 -13.401 1.00 0.00 N ATOM 0 H GLN A 20 73.201 11.667 -12.354 1.00 0.00 H new ATOM 0 HA GLN A 20 71.652 13.838 -11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.670 11.221 -12.283 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.686 12.222 -11.234 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.998 14.163 -12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 20 70.980 13.160 -13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 20 68.709 11.023 -12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.471 11.190 -13.860 1.00 0.00 H new ATOM 306 N ASP A 21 71.320 12.431 -8.914 1.00 0.00 N ATOM 307 CA ASP A 21 71.447 11.777 -7.621 1.00 0.00 C ATOM 308 C ASP A 21 70.497 10.595 -7.554 1.00 0.00 C ATOM 309 O ASP A 21 69.631 10.435 -8.415 1.00 0.00 O ATOM 310 CB ASP A 21 71.120 12.759 -6.493 1.00 0.00 C ATOM 311 CG ASP A 21 69.642 13.134 -6.531 1.00 0.00 C ATOM 312 OD1 ASP A 21 69.182 13.739 -5.575 1.00 0.00 O ATOM 313 OD2 ASP A 21 68.994 12.809 -7.510 1.00 0.00 O1- ATOM 0 H ASP A 21 70.671 13.218 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 21 72.474 11.431 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 21 71.364 12.311 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 21 71.732 13.655 -6.593 1.00 0.00 H new ATOM 318 N ALA A 22 70.658 9.776 -6.524 1.00 0.00 N ATOM 319 CA ALA A 22 69.803 8.606 -6.340 1.00 0.00 C ATOM 320 C ALA A 22 69.347 8.516 -4.891 1.00 0.00 C ATOM 321 O ALA A 22 70.071 8.904 -3.976 1.00 0.00 O ATOM 322 CB ALA A 22 70.570 7.338 -6.712 1.00 0.00 C ATOM 0 H ALA A 22 71.370 9.897 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 22 68.930 8.704 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 22 69.926 6.469 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.882 7.394 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.449 7.244 -6.075 1.00 0.00 H new ATOM 328 N SER A 23 68.136 8.001 -4.694 1.00 0.00 N ATOM 329 CA SER A 23 67.566 7.855 -3.354 1.00 0.00 C ATOM 330 C SER A 23 66.932 6.478 -3.208 1.00 0.00 C ATOM 331 O SER A 23 66.316 5.965 -4.143 1.00 0.00 O ATOM 332 CB SER A 23 66.512 8.940 -3.121 1.00 0.00 C ATOM 333 OG SER A 23 65.972 8.807 -1.809 1.00 0.00 O ATOM 0 H SER A 23 67.528 7.677 -5.446 1.00 0.00 H new ATOM 0 HA SER A 23 68.359 7.961 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.958 9.927 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 23 65.718 8.855 -3.863 1.00 0.00 H new ATOM 0 HG SER A 23 65.299 9.503 -1.660 1.00 0.00 H new ATOM 339 N PHE A 24 67.094 5.881 -2.031 1.00 0.00 N ATOM 340 CA PHE A 24 66.546 4.550 -1.751 1.00 0.00 C ATOM 341 C PHE A 24 65.568 4.620 -0.580 1.00 0.00 C ATOM 342 O PHE A 24 65.766 5.398 0.358 1.00 0.00 O ATOM 343 CB PHE A 24 67.692 3.585 -1.381 1.00 0.00 C ATOM 344 CG PHE A 24 68.212 2.853 -2.604 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.199 1.450 -2.635 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.706 3.568 -3.699 1.00 0.00 C ATOM 347 CE1 PHE A 24 68.675 0.767 -3.755 1.00 0.00 C ATOM 348 CE2 PHE A 24 69.185 2.881 -4.823 1.00 0.00 C ATOM 349 CZ PHE A 24 69.168 1.480 -4.851 1.00 0.00 C ATOM 0 H PHE A 24 67.602 6.297 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 24 66.027 4.192 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.504 4.143 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.339 2.863 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 24 67.819 0.897 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 24 68.719 4.648 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 24 68.662 -0.313 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 24 69.568 3.432 -5.669 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.535 0.952 -5.719 1.00 0.00 H new ATOM 359 N GLN A 25 64.533 3.776 -0.640 1.00 0.00 N ATOM 360 CA GLN A 25 63.521 3.708 0.415 1.00 0.00 C ATOM 361 C GLN A 25 63.330 2.263 0.871 1.00 0.00 C ATOM 362 O GLN A 25 62.694 1.466 0.186 1.00 0.00 O ATOM 363 CB GLN A 25 62.180 4.230 -0.116 1.00 0.00 C ATOM 364 CG GLN A 25 62.299 5.707 -0.502 1.00 0.00 C ATOM 365 CD GLN A 25 62.674 6.545 0.716 1.00 0.00 C ATOM 366 OE1 GLN A 25 62.033 6.444 1.763 1.00 0.00 O ATOM 367 NE2 GLN A 25 63.684 7.369 0.642 1.00 0.00 N ATOM 0 H GLN A 25 64.375 3.129 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 25 63.857 4.318 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.872 3.645 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.408 4.107 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.053 5.827 -1.280 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.354 6.059 -0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 25 64.213 7.451 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 25 63.944 7.931 1.452 1.00 0.00 H new ATOM 376 N CYS A 26 63.864 1.936 2.045 1.00 0.00 N ATOM 377 CA CYS A 26 63.734 0.590 2.605 1.00 0.00 C ATOM 378 C CYS A 26 63.121 0.696 3.983 1.00 0.00 C ATOM 379 O CYS A 26 63.426 1.622 4.725 1.00 0.00 O ATOM 380 CB CYS A 26 65.106 -0.082 2.708 1.00 0.00 C ATOM 381 SG CYS A 26 64.995 -1.546 3.770 1.00 0.00 S ATOM 0 H CYS A 26 64.392 2.584 2.629 1.00 0.00 H new ATOM 0 HA CYS A 26 63.101 -0.012 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.457 -0.367 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.835 0.619 3.115 1.00 0.00 H new ATOM 0 HG CYS A 26 63.836 -2.112 3.609 1.00 0.00 H new ATOM 387 N ARG A 27 62.250 -0.247 4.322 1.00 0.00 N ATOM 388 CA ARG A 27 61.594 -0.232 5.633 1.00 0.00 C ATOM 389 C ARG A 27 61.816 -1.549 6.358 1.00 0.00 C ATOM 390 O ARG A 27 61.413 -2.609 5.881 1.00 0.00 O ATOM 391 CB ARG A 27 60.094 0.019 5.457 1.00 0.00 C ATOM 392 CG ARG A 27 59.440 0.165 6.832 1.00 0.00 C ATOM 393 CD ARG A 27 57.984 0.603 6.663 1.00 0.00 C ATOM 394 NE ARG A 27 57.207 -0.444 6.011 1.00 0.00 N ATOM 395 CZ ARG A 27 55.955 -0.234 5.619 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.189 -1.246 5.324 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.493 0.983 5.531 1.00 0.00 N ATOM 0 H ARG A 27 61.981 -1.024 3.719 1.00 0.00 H new ATOM 0 HA ARG A 27 62.028 0.569 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.932 0.921 4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.637 -0.806 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.486 -0.782 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.984 0.897 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.552 0.831 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.940 1.518 6.072 1.00 0.00 H new ATOM 0 HE ARG A 27 57.633 -1.357 5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.551 -2.197 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 27 54.228 -1.087 5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 27 56.093 1.774 5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.532 1.143 5.230 1.00 0.00 H new ATOM 411 N LEU A 28 62.457 -1.473 7.528 1.00 0.00 N ATOM 412 CA LEU A 28 62.724 -2.669 8.331 1.00 0.00 C ATOM 413 C LEU A 28 62.134 -2.514 9.725 1.00 0.00 C ATOM 414 O LEU A 28 62.507 -1.605 10.469 1.00 0.00 O ATOM 415 CB LEU A 28 64.231 -2.904 8.475 1.00 0.00 C ATOM 416 CG LEU A 28 64.901 -3.042 7.105 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.397 -3.244 7.325 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.328 -4.251 6.350 1.00 0.00 C ATOM 0 H LEU A 28 62.798 -0.603 7.937 1.00 0.00 H new ATOM 0 HA LEU A 28 62.266 -3.516 7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.681 -2.075 9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.407 -3.805 9.062 1.00 0.00 H new ATOM 0 HG LEU A 28 64.717 -2.145 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.896 -3.345 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.806 -2.385 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.560 -4.147 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.814 -4.336 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.508 -5.158 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.255 -4.117 6.209 1.00 0.00 H new ATOM 430 N SER A 29 61.238 -3.423 10.093 1.00 0.00 N ATOM 431 CA SER A 29 60.644 -3.379 11.419 1.00 0.00 C ATOM 432 C SER A 29 61.694 -3.791 12.436 1.00 0.00 C ATOM 433 O SER A 29 62.706 -4.398 12.077 1.00 0.00 O ATOM 434 CB SER A 29 59.438 -4.309 11.516 1.00 0.00 C ATOM 435 OG SER A 29 59.883 -5.656 11.503 1.00 0.00 O ATOM 0 H SER A 29 60.913 -4.187 9.501 1.00 0.00 H new ATOM 0 HA SER A 29 60.299 -2.364 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.881 -4.107 12.431 1.00 0.00 H new ATOM 0 HB3 SER A 29 58.758 -4.130 10.683 1.00 0.00 H new ATOM 0 HG SER A 29 60.051 -5.954 12.421 1.00 0.00 H new ATOM 441 N ARG A 30 61.457 -3.447 13.695 1.00 0.00 N ATOM 442 CA ARG A 30 62.406 -3.750 14.762 1.00 0.00 C ATOM 443 C ARG A 30 62.772 -5.230 14.809 1.00 0.00 C ATOM 444 O ARG A 30 61.969 -6.100 14.471 1.00 0.00 O ATOM 445 CB ARG A 30 61.805 -3.327 16.098 1.00 0.00 C ATOM 446 CG ARG A 30 60.506 -4.096 16.355 1.00 0.00 C ATOM 447 CD ARG A 30 59.936 -3.674 17.706 1.00 0.00 C ATOM 448 NE ARG A 30 59.562 -2.268 17.681 1.00 0.00 N ATOM 449 CZ ARG A 30 59.208 -1.639 18.792 1.00 0.00 C ATOM 450 NH1 ARG A 30 59.772 -0.508 19.117 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 58.304 -2.162 19.568 1.00 0.00 N ATOM 0 H ARG A 30 60.617 -2.958 14.004 1.00 0.00 H new ATOM 0 HA ARG A 30 63.323 -3.197 14.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 62.515 -3.518 16.902 1.00 0.00 H new ATOM 0 HB3 ARG A 30 61.608 -2.255 16.094 1.00 0.00 H new ATOM 0 HG2 ARG A 30 59.786 -3.893 15.563 1.00 0.00 H new ATOM 0 HG3 ARG A 30 60.696 -5.169 16.346 1.00 0.00 H new ATOM 0 HD2 ARG A 30 59.066 -4.284 17.948 1.00 0.00 H new ATOM 0 HD3 ARG A 30 60.674 -3.847 18.489 1.00 0.00 H new ATOM 0 HE ARG A 30 59.573 -1.760 16.797 1.00 0.00 H new ATOM 0 HH11 ARG A 30 60.489 -0.104 18.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 59.496 -0.028 19.973 1.00 0.00 H new ATOM 0 HH21 ARG A 30 57.872 -3.052 19.320 1.00 0.00 H new ATOM 0 HH22 ARG A 30 58.028 -1.682 20.425 1.00 0.00 H new ATOM 465 N ALA A 31 64.015 -5.486 15.216 1.00 0.00 N ATOM 466 CA ALA A 31 64.553 -6.837 15.303 1.00 0.00 C ATOM 467 C ALA A 31 64.375 -7.421 16.692 1.00 0.00 C ATOM 468 O ALA A 31 63.732 -6.828 17.559 1.00 0.00 O ATOM 469 CB ALA A 31 66.042 -6.814 14.961 1.00 0.00 C ATOM 0 H ALA A 31 64.675 -4.760 15.494 1.00 0.00 H new ATOM 0 HA ALA A 31 64.007 -7.461 14.596 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.446 -7.824 15.026 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.177 -6.433 13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.567 -6.168 15.664 1.00 0.00 H new ATOM 475 N SER A 32 64.955 -8.597 16.882 1.00 0.00 N ATOM 476 CA SER A 32 64.875 -9.284 18.158 1.00 0.00 C ATOM 477 C SER A 32 65.938 -10.369 18.208 1.00 0.00 C ATOM 478 O SER A 32 66.633 -10.535 19.210 1.00 0.00 O ATOM 479 CB SER A 32 63.493 -9.905 18.317 1.00 0.00 C ATOM 480 OG SER A 32 63.590 -11.030 19.175 1.00 0.00 O ATOM 0 H SER A 32 65.486 -9.094 16.167 1.00 0.00 H new ATOM 0 HA SER A 32 65.042 -8.575 18.969 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.797 -9.175 18.730 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.101 -10.205 17.345 1.00 0.00 H new ATOM 0 HG SER A 32 62.704 -11.435 19.284 1.00 0.00 H new ATOM 486 N GLY A 33 66.062 -11.098 17.104 1.00 0.00 N ATOM 487 CA GLY A 33 67.051 -12.162 16.995 1.00 0.00 C ATOM 488 C GLY A 33 68.283 -11.658 16.260 1.00 0.00 C ATOM 489 O GLY A 33 69.343 -11.471 16.860 1.00 0.00 O ATOM 0 H GLY A 33 65.488 -10.970 16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.329 -12.513 17.989 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.624 -13.013 16.464 1.00 0.00 H new ATOM 493 N GLN A 34 68.140 -11.443 14.950 1.00 0.00 N ATOM 494 CA GLN A 34 69.251 -10.962 14.123 1.00 0.00 C ATOM 495 C GLN A 34 68.886 -9.687 13.362 1.00 0.00 C ATOM 496 O GLN A 34 67.811 -9.586 12.767 1.00 0.00 O ATOM 497 CB GLN A 34 69.658 -12.050 13.126 1.00 0.00 C ATOM 498 CG GLN A 34 70.202 -13.270 13.884 1.00 0.00 C ATOM 499 CD GLN A 34 71.518 -12.909 14.571 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.323 -12.170 14.006 1.00 0.00 O ATOM 501 NE2 GLN A 34 71.793 -13.393 15.754 1.00 0.00 N ATOM 0 H GLN A 34 67.270 -11.593 14.440 1.00 0.00 H new ATOM 0 HA GLN A 34 70.082 -10.729 14.788 1.00 0.00 H new ATOM 0 HB2 GLN A 34 68.800 -12.340 12.519 1.00 0.00 H new ATOM 0 HB3 GLN A 34 70.416 -11.666 12.444 1.00 0.00 H new ATOM 0 HG2 GLN A 34 69.475 -13.604 14.624 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.357 -14.099 13.193 1.00 0.00 H new ATOM 0 HE21 GLN A 34 71.125 -14.006 16.222 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.675 -13.158 16.209 1.00 0.00 H new ATOM 510 N GLU A 35 69.811 -8.724 13.363 1.00 0.00 N ATOM 511 CA GLU A 35 69.611 -7.464 12.650 1.00 0.00 C ATOM 512 C GLU A 35 70.137 -7.578 11.217 1.00 0.00 C ATOM 513 O GLU A 35 71.048 -8.358 10.940 1.00 0.00 O ATOM 514 CB GLU A 35 70.339 -6.320 13.363 1.00 0.00 C ATOM 515 CG GLU A 35 69.656 -6.009 14.693 1.00 0.00 C ATOM 516 CD GLU A 35 70.315 -4.790 15.325 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.106 -4.155 14.647 1.00 0.00 O ATOM 518 OE2 GLU A 35 70.022 -4.510 16.475 1.00 0.00 O1- ATOM 0 H GLU A 35 70.705 -8.794 13.850 1.00 0.00 H new ATOM 0 HA GLU A 35 68.542 -7.252 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.380 -6.593 13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 35 70.343 -5.432 12.731 1.00 0.00 H new ATOM 0 HG2 GLU A 35 68.594 -5.821 14.534 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.732 -6.866 15.363 1.00 0.00 H new ATOM 525 N ALA A 36 69.545 -6.800 10.316 1.00 0.00 N ATOM 526 CA ALA A 36 69.936 -6.809 8.907 1.00 0.00 C ATOM 527 C ALA A 36 71.119 -5.873 8.651 1.00 0.00 C ATOM 528 O ALA A 36 71.481 -5.066 9.508 1.00 0.00 O ATOM 529 CB ALA A 36 68.741 -6.372 8.064 1.00 0.00 C ATOM 0 H ALA A 36 68.789 -6.152 10.536 1.00 0.00 H new ATOM 0 HA ALA A 36 70.245 -7.818 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.019 -6.374 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.912 -7.062 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.437 -5.367 8.357 1.00 0.00 H new ATOM 535 N ARG A 37 71.719 -5.992 7.468 1.00 0.00 N ATOM 536 CA ARG A 37 72.864 -5.161 7.104 1.00 0.00 C ATOM 537 C ARG A 37 72.887 -4.927 5.596 1.00 0.00 C ATOM 538 O ARG A 37 72.281 -5.681 4.835 1.00 0.00 O ATOM 539 CB ARG A 37 74.155 -5.858 7.542 1.00 0.00 C ATOM 540 CG ARG A 37 74.244 -7.231 6.858 1.00 0.00 C ATOM 541 CD ARG A 37 75.505 -7.957 7.312 1.00 0.00 C ATOM 542 NE ARG A 37 76.681 -7.291 6.782 1.00 0.00 N ATOM 543 CZ ARG A 37 77.898 -7.688 7.120 1.00 0.00 C ATOM 544 NH1 ARG A 37 78.643 -6.910 7.850 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 78.345 -8.853 6.733 1.00 0.00 N ATOM 0 H ARG A 37 71.432 -6.654 6.747 1.00 0.00 H new ATOM 0 HA ARG A 37 72.782 -4.197 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 37 75.019 -5.249 7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.169 -5.976 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.364 -7.826 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.255 -7.107 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.549 -7.979 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.480 -8.993 6.973 1.00 0.00 H new ATOM 0 HE ARG A 37 76.568 -6.506 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 37 78.288 -6.004 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 37 79.582 -7.206 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 37 77.755 -9.463 6.167 1.00 0.00 H new ATOM 0 HH22 ARG A 37 79.284 -9.152 6.997 1.00 0.00 H new ATOM 559 N TRP A 38 73.589 -3.880 5.169 1.00 0.00 N ATOM 560 CA TRP A 38 73.689 -3.557 3.748 1.00 0.00 C ATOM 561 C TRP A 38 74.806 -4.365 3.102 1.00 0.00 C ATOM 562 O TRP A 38 75.528 -5.098 3.777 1.00 0.00 O ATOM 563 CB TRP A 38 73.997 -2.068 3.577 1.00 0.00 C ATOM 564 CG TRP A 38 72.788 -1.248 3.908 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.516 -0.724 5.125 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.697 -0.833 3.032 1.00 0.00 C ATOM 567 NE1 TRP A 38 71.331 -0.016 5.052 1.00 0.00 N ATOM 568 CE2 TRP A 38 70.787 -0.060 3.788 1.00 0.00 C ATOM 569 CE3 TRP A 38 71.406 -1.054 1.672 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.634 0.477 3.218 1.00 0.00 C ATOM 571 CZ3 TRP A 38 70.244 -0.514 1.097 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.359 0.249 1.870 1.00 0.00 C ATOM 0 H TRP A 38 74.095 -3.243 5.784 1.00 0.00 H new ATOM 0 HA TRP A 38 72.740 -3.799 3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 38 74.826 -1.784 4.225 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.311 -1.869 2.552 1.00 0.00 H new ATOM 0 HD1 TRP A 38 73.125 -0.840 6.009 1.00 0.00 H new ATOM 0 HE1 TRP A 38 70.911 0.479 5.839 1.00 0.00 H new ATOM 0 HE3 TRP A 38 72.080 -1.642 1.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 68.957 1.067 3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 70.031 -0.688 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.466 0.660 1.423 1.00 0.00 H new ATOM 583 N ALA A 39 74.954 -4.215 1.792 1.00 0.00 N ATOM 584 CA ALA A 39 76.001 -4.930 1.080 1.00 0.00 C ATOM 585 C ALA A 39 76.194 -4.352 -0.313 1.00 0.00 C ATOM 586 O ALA A 39 75.377 -4.567 -1.205 1.00 0.00 O ATOM 587 CB ALA A 39 75.643 -6.414 0.980 1.00 0.00 C ATOM 0 H ALA A 39 74.371 -3.614 1.210 1.00 0.00 H new ATOM 0 HA ALA A 39 76.933 -4.819 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 39 76.432 -6.943 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 39 75.540 -6.832 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 39 74.702 -6.526 0.442 1.00 0.00 H new ATOM 593 N LEU A 40 77.291 -3.622 -0.496 1.00 0.00 N ATOM 594 CA LEU A 40 77.608 -3.019 -1.787 1.00 0.00 C ATOM 595 C LEU A 40 78.877 -3.653 -2.328 1.00 0.00 C ATOM 596 O LEU A 40 79.939 -3.561 -1.710 1.00 0.00 O ATOM 597 CB LEU A 40 77.802 -1.508 -1.598 1.00 0.00 C ATOM 598 CG LEU A 40 77.807 -0.775 -2.957 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.515 0.711 -2.725 1.00 0.00 C ATOM 600 CD2 LEU A 40 79.174 -0.913 -3.653 1.00 0.00 C ATOM 0 H LEU A 40 77.977 -3.434 0.235 1.00 0.00 H new ATOM 0 HA LEU A 40 76.797 -3.186 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.004 -1.111 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.741 -1.321 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 40 77.044 -1.221 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.517 1.236 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.539 0.821 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.281 1.135 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 40 79.151 -0.388 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 40 79.950 -0.481 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.390 -1.968 -3.824 1.00 0.00 H new ATOM 612 N GLY A 41 78.761 -4.310 -3.477 1.00 0.00 N ATOM 613 CA GLY A 41 79.911 -4.967 -4.079 1.00 0.00 C ATOM 614 C GLY A 41 80.383 -6.115 -3.194 1.00 0.00 C ATOM 615 O GLY A 41 81.530 -6.549 -3.282 1.00 0.00 O ATOM 0 H GLY A 41 77.892 -4.400 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.648 -5.344 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.719 -4.248 -4.217 1.00 0.00 H new ATOM 619 N GLY A 42 79.487 -6.603 -2.335 1.00 0.00 N ATOM 620 CA GLY A 42 79.819 -7.702 -1.428 1.00 0.00 C ATOM 621 C GLY A 42 80.426 -7.179 -0.127 1.00 0.00 C ATOM 622 O GLY A 42 80.618 -7.935 0.825 1.00 0.00 O ATOM 0 H GLY A 42 78.531 -6.257 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.921 -8.279 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.522 -8.379 -1.914 1.00 0.00 H new ATOM 626 N VAL A 43 80.732 -5.877 -0.098 1.00 0.00 N ATOM 627 CA VAL A 43 81.330 -5.244 1.088 1.00 0.00 C ATOM 628 C VAL A 43 80.363 -4.205 1.685 1.00 0.00 C ATOM 629 O VAL A 43 79.784 -3.410 0.942 1.00 0.00 O ATOM 630 CB VAL A 43 82.641 -4.564 0.673 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.357 -3.948 1.886 1.00 0.00 C ATOM 632 CG2 VAL A 43 83.541 -5.618 0.039 1.00 0.00 C ATOM 0 H VAL A 43 80.577 -5.240 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 43 81.528 -6.001 1.847 1.00 0.00 H new ATOM 0 HB VAL A 43 82.421 -3.761 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.283 -3.474 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 82.711 -3.203 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.586 -4.731 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 43 84.481 -5.158 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 43 83.741 -6.409 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 83.045 -6.042 -0.834 1.00 0.00 H new ATOM 642 N PRO A 44 80.170 -4.175 2.993 1.00 0.00 N ATOM 643 CA PRO A 44 79.247 -3.188 3.618 1.00 0.00 C ATOM 644 C PRO A 44 79.636 -1.752 3.265 1.00 0.00 C ATOM 645 O PRO A 44 80.816 -1.410 3.194 1.00 0.00 O ATOM 646 CB PRO A 44 79.348 -3.432 5.145 1.00 0.00 C ATOM 647 CG PRO A 44 80.290 -4.593 5.354 1.00 0.00 C ATOM 648 CD PRO A 44 80.787 -5.076 3.981 1.00 0.00 C ATOM 0 HA PRO A 44 78.227 -3.317 3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 44 79.718 -2.541 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 44 78.367 -3.653 5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.132 -4.289 5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 44 79.782 -5.402 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 44 81.875 -5.035 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.497 -6.111 3.802 1.00 0.00 H new ATOM 656 N LEU A 45 78.623 -0.920 3.054 1.00 0.00 N ATOM 657 CA LEU A 45 78.840 0.477 2.714 1.00 0.00 C ATOM 658 C LEU A 45 78.941 1.295 3.996 1.00 0.00 C ATOM 659 O LEU A 45 78.492 0.859 5.057 1.00 0.00 O ATOM 660 CB LEU A 45 77.690 0.998 1.825 1.00 0.00 C ATOM 661 CG LEU A 45 76.376 0.276 2.174 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.014 0.528 3.648 1.00 0.00 C ATOM 663 CD2 LEU A 45 75.255 0.789 1.258 1.00 0.00 C ATOM 0 H LEU A 45 77.642 -1.192 3.113 1.00 0.00 H new ATOM 0 HA LEU A 45 79.770 0.574 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.571 2.072 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.933 0.839 0.774 1.00 0.00 H new ATOM 0 HG LEU A 45 76.500 -0.797 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.083 0.014 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 45 76.812 0.151 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.891 1.598 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 45 74.323 0.279 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 45 75.130 1.862 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 45 75.515 0.590 0.218 1.00 0.00 H new ATOM 675 N GLN A 46 79.540 2.475 3.894 1.00 0.00 N ATOM 676 CA GLN A 46 79.704 3.355 5.052 1.00 0.00 C ATOM 677 C GLN A 46 79.459 4.800 4.657 1.00 0.00 C ATOM 678 O GLN A 46 79.480 5.147 3.476 1.00 0.00 O ATOM 679 CB GLN A 46 81.116 3.224 5.623 1.00 0.00 C ATOM 680 CG GLN A 46 81.273 1.866 6.301 1.00 0.00 C ATOM 681 CD GLN A 46 82.722 1.680 6.723 1.00 0.00 C ATOM 682 OE1 GLN A 46 83.545 2.575 6.521 1.00 0.00 O ATOM 683 NE2 GLN A 46 83.084 0.575 7.305 1.00 0.00 N ATOM 0 H GLN A 46 79.921 2.847 3.024 1.00 0.00 H new ATOM 0 HA GLN A 46 78.978 3.059 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 46 81.852 3.331 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 46 81.304 4.023 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 46 80.618 1.803 7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 46 80.976 1.069 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 46 82.399 -0.163 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 46 84.053 0.446 7.597 1.00 0.00 H new ATOM 692 N ALA A 47 79.216 5.640 5.653 1.00 0.00 N ATOM 693 CA ALA A 47 78.952 7.048 5.402 1.00 0.00 C ATOM 694 C ALA A 47 80.181 7.750 4.806 1.00 0.00 C ATOM 695 O ALA A 47 80.872 8.496 5.499 1.00 0.00 O ATOM 696 CB ALA A 47 78.552 7.732 6.713 1.00 0.00 C ATOM 0 H ALA A 47 79.196 5.372 6.637 1.00 0.00 H new ATOM 0 HA ALA A 47 78.139 7.121 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.354 8.788 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.654 7.259 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.363 7.637 7.435 1.00 0.00 H new ATOM 702 N ASN A 48 80.435 7.521 3.514 1.00 0.00 N ATOM 703 CA ASN A 48 81.572 8.157 2.843 1.00 0.00 C ATOM 704 C ASN A 48 81.299 9.645 2.663 1.00 0.00 C ATOM 705 O ASN A 48 80.285 10.158 3.140 1.00 0.00 O ATOM 706 CB ASN A 48 81.816 7.515 1.472 1.00 0.00 C ATOM 707 CG ASN A 48 83.199 7.899 0.945 1.00 0.00 C ATOM 708 OD1 ASN A 48 84.043 8.381 1.703 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.489 7.698 -0.314 1.00 0.00 N ATOM 0 H ASN A 48 79.877 6.909 2.919 1.00 0.00 H new ATOM 0 HA ASN A 48 82.459 8.019 3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.738 6.431 1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 48 81.049 7.839 0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.414 7.940 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.790 7.299 -0.941 1.00 0.00 H new ATOM 716 N GLU A 49 82.202 10.332 1.973 1.00 0.00 N ATOM 717 CA GLU A 49 82.034 11.761 1.738 1.00 0.00 C ATOM 718 C GLU A 49 80.780 12.013 0.909 1.00 0.00 C ATOM 719 O GLU A 49 79.995 12.912 1.210 1.00 0.00 O ATOM 720 CB GLU A 49 83.257 12.316 1.003 1.00 0.00 C ATOM 721 CG GLU A 49 83.130 13.834 0.856 1.00 0.00 C ATOM 722 CD GLU A 49 84.359 14.385 0.141 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.488 15.596 0.066 1.00 0.00 O ATOM 724 OE2 GLU A 49 85.162 13.583 -0.311 1.00 0.00 O1- ATOM 0 H GLU A 49 83.048 9.929 1.571 1.00 0.00 H new ATOM 0 HA GLU A 49 81.932 12.265 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 49 84.166 12.070 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.343 11.852 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.229 14.081 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.030 14.297 1.838 1.00 0.00 H new ATOM 731 N MET A 50 80.593 11.214 -0.139 1.00 0.00 N ATOM 732 CA MET A 50 79.424 11.367 -1.010 1.00 0.00 C ATOM 733 C MET A 50 78.256 10.514 -0.515 1.00 0.00 C ATOM 734 O MET A 50 77.116 10.725 -0.927 1.00 0.00 O ATOM 735 CB MET A 50 79.773 10.962 -2.447 1.00 0.00 C ATOM 736 CG MET A 50 80.514 9.622 -2.463 1.00 0.00 C ATOM 737 SD MET A 50 80.902 9.193 -4.177 1.00 0.00 S ATOM 738 CE MET A 50 81.584 7.554 -3.842 1.00 0.00 C ATOM 0 H MET A 50 81.227 10.461 -0.406 1.00 0.00 H new ATOM 0 HA MET A 50 79.128 12.416 -0.988 1.00 0.00 H new ATOM 0 HB2 MET A 50 78.862 10.887 -3.041 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.392 11.732 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 50 81.429 9.689 -1.874 1.00 0.00 H new ATOM 0 HG3 MET A 50 79.899 8.845 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 50 81.896 7.092 -4.778 1.00 0.00 H new ATOM 0 HE2 MET A 50 82.444 7.646 -3.178 1.00 0.00 H new ATOM 0 HE3 MET A 50 80.824 6.934 -3.367 1.00 0.00 H new ATOM 748 N ASN A 51 78.539 9.552 0.361 1.00 0.00 N ATOM 749 CA ASN A 51 77.490 8.674 0.890 1.00 0.00 C ATOM 750 C ASN A 51 77.135 9.037 2.329 1.00 0.00 C ATOM 751 O ASN A 51 78.002 9.388 3.128 1.00 0.00 O ATOM 752 CB ASN A 51 77.952 7.219 0.824 1.00 0.00 C ATOM 753 CG ASN A 51 76.819 6.301 1.266 1.00 0.00 C ATOM 754 OD1 ASN A 51 75.654 6.583 0.992 1.00 0.00 O ATOM 755 ND2 ASN A 51 77.088 5.219 1.944 1.00 0.00 N ATOM 0 H ASN A 51 79.475 9.359 0.718 1.00 0.00 H new ATOM 0 HA ASN A 51 76.598 8.805 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.259 6.970 -0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 51 78.822 7.074 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 51 76.331 4.606 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.055 4.986 2.171 1.00 0.00 H new ATOM 762 N ASP A 52 75.846 8.943 2.646 1.00 0.00 N ATOM 763 CA ASP A 52 75.356 9.256 3.986 1.00 0.00 C ATOM 764 C ASP A 52 74.155 8.377 4.304 1.00 0.00 C ATOM 765 O ASP A 52 73.377 8.033 3.413 1.00 0.00 O ATOM 766 CB ASP A 52 74.958 10.731 4.066 1.00 0.00 C ATOM 767 CG ASP A 52 74.637 11.106 5.507 1.00 0.00 C ATOM 768 OD1 ASP A 52 74.345 12.266 5.746 1.00 0.00 O ATOM 769 OD2 ASP A 52 74.701 10.231 6.354 1.00 0.00 O1- ATOM 0 H ASP A 52 75.120 8.652 1.991 1.00 0.00 H new ATOM 0 HA ASP A 52 76.146 9.065 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 75.768 11.356 3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.092 10.917 3.431 1.00 0.00 H new ATOM 774 N ILE A 53 74.005 8.002 5.574 1.00 0.00 N ATOM 775 CA ILE A 53 72.891 7.150 5.992 1.00 0.00 C ATOM 776 C ILE A 53 72.115 7.801 7.116 1.00 0.00 C ATOM 777 O ILE A 53 72.697 8.262 8.097 1.00 0.00 O ATOM 778 CB ILE A 53 73.418 5.794 6.447 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.062 5.094 5.248 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.260 4.954 6.999 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.768 3.821 5.706 1.00 0.00 C ATOM 0 H ILE A 53 74.637 8.273 6.328 1.00 0.00 H new ATOM 0 HA ILE A 53 72.223 7.012 5.142 1.00 0.00 H new ATOM 0 HB ILE A 53 74.160 5.920 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.301 4.851 4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 53 74.775 5.762 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 53 72.637 3.984 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.807 5.470 7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.512 4.810 6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.224 3.329 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.541 4.075 6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.044 3.149 6.167 1.00 0.00 H new ATOM 793 N THR A 54 70.794 7.848 6.969 1.00 0.00 N ATOM 794 CA THR A 54 69.946 8.461 7.992 1.00 0.00 C ATOM 795 C THR A 54 68.723 7.594 8.279 1.00 0.00 C ATOM 796 O THR A 54 68.320 6.770 7.457 1.00 0.00 O ATOM 797 CB THR A 54 69.498 9.844 7.518 1.00 0.00 C ATOM 798 OG1 THR A 54 68.300 9.711 6.770 1.00 0.00 O ATOM 799 CG2 THR A 54 70.585 10.459 6.632 1.00 0.00 C ATOM 0 H THR A 54 70.291 7.475 6.164 1.00 0.00 H new ATOM 0 HA THR A 54 70.523 8.553 8.912 1.00 0.00 H new ATOM 0 HB THR A 54 69.327 10.490 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.006 10.594 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 54 70.265 11.445 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.509 10.553 7.202 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.756 9.817 5.768 1.00 0.00 H new ATOM 807 N VAL A 55 68.140 7.788 9.462 1.00 0.00 N ATOM 808 CA VAL A 55 66.962 7.030 9.887 1.00 0.00 C ATOM 809 C VAL A 55 65.777 7.971 10.100 1.00 0.00 C ATOM 810 O VAL A 55 65.905 8.997 10.769 1.00 0.00 O ATOM 811 CB VAL A 55 67.280 6.294 11.195 1.00 0.00 C ATOM 812 CG1 VAL A 55 65.993 5.726 11.807 1.00 0.00 C ATOM 813 CG2 VAL A 55 68.264 5.154 10.907 1.00 0.00 C ATOM 0 H VAL A 55 68.467 8.469 10.148 1.00 0.00 H new ATOM 0 HA VAL A 55 66.701 6.308 9.113 1.00 0.00 H new ATOM 0 HB VAL A 55 67.726 6.993 11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 55 66.230 5.206 12.735 1.00 0.00 H new ATOM 0 HG12 VAL A 55 65.299 6.540 12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.534 5.028 11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 55 68.493 4.628 11.834 1.00 0.00 H new ATOM 0 HG22 VAL A 55 67.817 4.459 10.196 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.182 5.564 10.486 1.00 0.00 H new ATOM 823 N GLU A 56 64.620 7.615 9.535 1.00 0.00 N ATOM 824 CA GLU A 56 63.410 8.434 9.678 1.00 0.00 C ATOM 825 C GLU A 56 62.411 7.743 10.600 1.00 0.00 C ATOM 826 O GLU A 56 62.664 6.634 11.076 1.00 0.00 O ATOM 827 CB GLU A 56 62.755 8.668 8.317 1.00 0.00 C ATOM 828 CG GLU A 56 63.682 9.492 7.426 1.00 0.00 C ATOM 829 CD GLU A 56 63.001 9.741 6.086 1.00 0.00 C ATOM 830 OE1 GLU A 56 61.902 9.241 5.905 1.00 0.00 O ATOM 831 OE2 GLU A 56 63.579 10.430 5.265 1.00 0.00 O1- ATOM 0 H GLU A 56 64.494 6.770 8.977 1.00 0.00 H new ATOM 0 HA GLU A 56 63.700 9.393 10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.534 7.712 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.805 9.187 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 56 63.920 10.440 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.624 8.965 7.276 1.00 0.00 H new ATOM 838 N GLN A 57 61.286 8.418 10.847 1.00 0.00 N ATOM 839 CA GLN A 57 60.228 7.901 11.725 1.00 0.00 C ATOM 840 C GLN A 57 60.195 6.375 11.749 1.00 0.00 C ATOM 841 O GLN A 57 60.526 5.713 10.763 1.00 0.00 O ATOM 842 CB GLN A 57 58.867 8.422 11.261 1.00 0.00 C ATOM 843 CG GLN A 57 57.800 8.072 12.300 1.00 0.00 C ATOM 844 CD GLN A 57 56.467 8.678 11.875 1.00 0.00 C ATOM 845 OE1 GLN A 57 56.123 8.644 10.696 1.00 0.00 O ATOM 846 NE2 GLN A 57 55.693 9.237 12.765 1.00 0.00 N ATOM 0 H GLN A 57 61.081 9.334 10.447 1.00 0.00 H new ATOM 0 HA GLN A 57 60.446 8.251 12.734 1.00 0.00 H new ATOM 0 HB2 GLN A 57 58.909 9.502 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 57 58.608 7.983 10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 57 57.708 6.990 12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 57 58.090 8.453 13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 57 55.979 9.265 13.744 1.00 0.00 H new ATOM 0 HE22 GLN A 57 54.802 9.646 12.482 1.00 0.00 H new ATOM 855 N GLY A 58 59.792 5.825 12.890 1.00 0.00 N ATOM 856 CA GLY A 58 59.718 4.381 13.050 1.00 0.00 C ATOM 857 C GLY A 58 61.087 3.760 12.859 1.00 0.00 C ATOM 858 O GLY A 58 61.908 3.745 13.775 1.00 0.00 O ATOM 0 H GLY A 58 59.513 6.357 13.714 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.336 4.137 14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.018 3.964 12.327 1.00 0.00 H new ATOM 862 N THR A 59 61.329 3.254 11.661 1.00 0.00 N ATOM 863 CA THR A 59 62.608 2.638 11.360 1.00 0.00 C ATOM 864 C THR A 59 62.798 2.512 9.861 1.00 0.00 C ATOM 865 O THR A 59 63.163 1.452 9.348 1.00 0.00 O ATOM 866 CB THR A 59 62.687 1.264 12.012 1.00 0.00 C ATOM 867 OG1 THR A 59 62.215 1.360 13.348 1.00 0.00 O ATOM 868 CG2 THR A 59 64.139 0.774 12.012 1.00 0.00 C ATOM 0 H THR A 59 60.663 3.258 10.889 1.00 0.00 H new ATOM 0 HA THR A 59 63.402 3.270 11.758 1.00 0.00 H new ATOM 0 HB THR A 59 62.074 0.556 11.454 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.617 2.142 13.781 1.00 0.00 H new ATOM 0 HG21 THR A 59 64.191 -0.209 12.479 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.501 0.708 10.986 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.759 1.475 12.571 1.00 0.00 H new ATOM 876 N LEU A 60 62.543 3.597 9.151 1.00 0.00 N ATOM 877 CA LEU A 60 62.693 3.590 7.705 1.00 0.00 C ATOM 878 C LEU A 60 64.094 4.051 7.315 1.00 0.00 C ATOM 879 O LEU A 60 64.487 5.190 7.572 1.00 0.00 O ATOM 880 CB LEU A 60 61.625 4.502 7.088 1.00 0.00 C ATOM 881 CG LEU A 60 61.558 4.315 5.550 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.117 4.513 5.072 1.00 0.00 C ATOM 883 CD2 LEU A 60 62.447 5.353 4.849 1.00 0.00 C ATOM 0 H LEU A 60 62.234 4.485 9.546 1.00 0.00 H new ATOM 0 HA LEU A 60 62.559 2.577 7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 60.653 4.279 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 60 61.850 5.542 7.322 1.00 0.00 H new ATOM 0 HG LEU A 60 61.904 3.310 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.071 4.381 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 60 59.470 3.781 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.783 5.518 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 62.391 5.211 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 60 62.103 6.356 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 63.479 5.230 5.178 1.00 0.00 H new ATOM 895 N HIS A 61 64.837 3.149 6.689 1.00 0.00 N ATOM 896 CA HIS A 61 66.192 3.434 6.246 1.00 0.00 C ATOM 897 C HIS A 61 66.166 4.237 4.948 1.00 0.00 C ATOM 898 O HIS A 61 65.272 4.060 4.123 1.00 0.00 O ATOM 899 CB HIS A 61 66.923 2.111 6.024 1.00 0.00 C ATOM 900 CG HIS A 61 67.240 1.492 7.357 1.00 0.00 C ATOM 901 ND1 HIS A 61 68.541 1.253 7.782 1.00 0.00 N ATOM 902 CD2 HIS A 61 66.430 1.081 8.382 1.00 0.00 C ATOM 903 CE1 HIS A 61 68.468 0.722 9.018 1.00 0.00 C ATOM 904 NE2 HIS A 61 67.205 0.597 9.431 1.00 0.00 N ATOM 0 H HIS A 61 64.518 2.204 6.475 1.00 0.00 H new ATOM 0 HA HIS A 61 66.709 4.022 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.305 1.435 5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.841 2.279 5.460 1.00 0.00 H new ATOM 0 HD2 HIS A 61 65.351 1.126 8.377 1.00 0.00 H new ATOM 0 HE1 HIS A 61 69.328 0.432 9.604 1.00 0.00 H new ATOM 0 HE2 HIS A 61 66.878 0.226 10.323 1.00 0.00 H new ATOM 912 N LEU A 62 67.145 5.122 4.774 1.00 0.00 N ATOM 913 CA LEU A 62 67.215 5.947 3.567 1.00 0.00 C ATOM 914 C LEU A 62 68.667 6.144 3.151 1.00 0.00 C ATOM 915 O LEU A 62 69.447 6.781 3.865 1.00 0.00 O ATOM 916 CB LEU A 62 66.554 7.308 3.838 1.00 0.00 C ATOM 917 CG LEU A 62 66.334 8.071 2.518 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.403 9.260 2.769 1.00 0.00 C ATOM 919 CD2 LEU A 62 67.672 8.583 1.946 1.00 0.00 C ATOM 0 H LEU A 62 67.895 5.287 5.446 1.00 0.00 H new ATOM 0 HA LEU A 62 66.686 5.445 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.600 7.162 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.182 7.898 4.506 1.00 0.00 H new ATOM 0 HG LEU A 62 65.887 7.389 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.245 9.802 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 62 64.446 8.899 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.854 9.926 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 67.488 9.118 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 62 68.141 9.255 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 62 68.333 7.738 1.755 1.00 0.00 H new ATOM 931 N LEU A 63 69.029 5.598 1.983 1.00 0.00 N ATOM 932 CA LEU A 63 70.394 5.731 1.476 1.00 0.00 C ATOM 933 C LEU A 63 70.476 6.982 0.610 1.00 0.00 C ATOM 934 O LEU A 63 69.960 7.011 -0.508 1.00 0.00 O ATOM 935 CB LEU A 63 70.772 4.462 0.668 1.00 0.00 C ATOM 936 CG LEU A 63 72.209 3.980 0.978 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.205 5.155 1.002 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.226 3.234 2.322 1.00 0.00 C ATOM 0 H LEU A 63 68.401 5.066 1.380 1.00 0.00 H new ATOM 0 HA LEU A 63 71.100 5.829 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.066 3.664 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 63 70.683 4.672 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 63 72.521 3.302 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.205 4.780 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 63 73.209 5.649 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.907 5.869 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.240 2.896 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.891 3.904 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.560 2.373 2.269 1.00 0.00 H new ATOM 950 N THR A 64 71.110 8.018 1.142 1.00 0.00 N ATOM 951 CA THR A 64 71.230 9.276 0.420 1.00 0.00 C ATOM 952 C THR A 64 72.524 9.316 -0.379 1.00 0.00 C ATOM 953 O THR A 64 73.608 9.452 0.184 1.00 0.00 O ATOM 954 CB THR A 64 71.207 10.431 1.422 1.00 0.00 C ATOM 955 OG1 THR A 64 70.010 10.369 2.179 1.00 0.00 O ATOM 956 CG2 THR A 64 71.269 11.769 0.687 1.00 0.00 C ATOM 0 H THR A 64 71.546 8.013 2.064 1.00 0.00 H new ATOM 0 HA THR A 64 70.395 9.368 -0.274 1.00 0.00 H new ATOM 0 HB THR A 64 72.071 10.347 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.992 11.107 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.252 12.583 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.188 11.821 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.411 11.858 0.021 1.00 0.00 H new ATOM 964 N LEU A 65 72.397 9.204 -1.699 1.00 0.00 N ATOM 965 CA LEU A 65 73.563 9.236 -2.588 1.00 0.00 C ATOM 966 C LEU A 65 73.668 10.605 -3.280 1.00 0.00 C ATOM 967 O LEU A 65 72.729 11.042 -3.948 1.00 0.00 O ATOM 968 CB LEU A 65 73.432 8.135 -3.651 1.00 0.00 C ATOM 969 CG LEU A 65 73.459 6.742 -2.991 1.00 0.00 C ATOM 970 CD1 LEU A 65 73.066 5.682 -4.029 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.868 6.432 -2.444 1.00 0.00 C ATOM 0 H LEU A 65 71.504 9.091 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 65 74.462 9.068 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.502 8.264 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 65 74.245 8.218 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 65 72.752 6.729 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 65 73.084 4.695 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 65 72.063 5.891 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 65 73.772 5.706 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 65 74.870 5.445 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.588 6.450 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 65 75.143 7.181 -1.702 1.00 0.00 H new ATOM 983 N HIS A 66 74.825 11.264 -3.121 1.00 0.00 N ATOM 984 CA HIS A 66 75.062 12.579 -3.736 1.00 0.00 C ATOM 985 C HIS A 66 75.257 12.410 -5.243 1.00 0.00 C ATOM 986 O HIS A 66 75.611 11.327 -5.702 1.00 0.00 O ATOM 987 CB HIS A 66 76.308 13.239 -3.109 1.00 0.00 C ATOM 988 CG HIS A 66 76.368 14.709 -3.476 1.00 0.00 C ATOM 989 ND1 HIS A 66 75.238 15.511 -3.514 1.00 0.00 N ATOM 990 CD2 HIS A 66 77.421 15.538 -3.804 1.00 0.00 C ATOM 991 CE1 HIS A 66 75.630 16.756 -3.852 1.00 0.00 C ATOM 992 NE2 HIS A 66 76.949 16.826 -4.038 1.00 0.00 N ATOM 0 H HIS A 66 75.609 10.910 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 66 74.200 13.222 -3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.279 13.129 -2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 66 77.209 12.734 -3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 66 78.455 15.233 -3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 66 74.958 17.595 -3.959 1.00 0.00 H new ATOM 0 HE2 HIS A 66 77.495 17.648 -4.296 1.00 0.00 H new ATOM 1000 N LYS A 67 75.007 13.479 -6.004 1.00 0.00 N ATOM 1001 CA LYS A 67 75.135 13.450 -7.469 1.00 0.00 C ATOM 1002 C LYS A 67 76.161 12.412 -7.949 1.00 0.00 C ATOM 1003 O LYS A 67 77.345 12.706 -8.120 1.00 0.00 O ATOM 1004 CB LYS A 67 75.512 14.847 -7.979 1.00 0.00 C ATOM 1005 CG LYS A 67 76.635 15.427 -7.113 1.00 0.00 C ATOM 1006 CD LYS A 67 77.203 16.695 -7.763 1.00 0.00 C ATOM 1007 CE LYS A 67 76.208 17.853 -7.625 1.00 0.00 C ATOM 1008 NZ LYS A 67 76.885 19.135 -7.978 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.713 14.381 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 67 74.170 13.153 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 67 75.834 14.790 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 67 74.642 15.503 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 67 76.254 15.659 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 67 77.426 14.688 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 67 78.149 16.961 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 77.412 16.510 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 75.351 17.690 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 67 75.827 17.899 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 76.210 19.921 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 77.689 19.291 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 77.228 19.088 -8.959 1.00 0.00 H new ATOM 1022 N VAL A 68 75.682 11.190 -8.171 1.00 0.00 N ATOM 1023 CA VAL A 68 76.540 10.102 -8.631 1.00 0.00 C ATOM 1024 C VAL A 68 76.737 10.162 -10.139 1.00 0.00 C ATOM 1025 O VAL A 68 76.034 10.884 -10.844 1.00 0.00 O ATOM 1026 CB VAL A 68 75.929 8.747 -8.255 1.00 0.00 C ATOM 1027 CG1 VAL A 68 75.917 8.590 -6.734 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.490 8.658 -8.782 1.00 0.00 C ATOM 0 H VAL A 68 74.705 10.929 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 68 77.509 10.214 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 68 76.529 7.954 -8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 68 75.482 7.626 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 68 76.937 8.643 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.323 9.389 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.062 7.693 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 68 73.892 9.456 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.493 8.762 -9.867 1.00 0.00 H new ATOM 1038 N THR A 69 77.701 9.382 -10.622 1.00 0.00 N ATOM 1039 CA THR A 69 78.016 9.313 -12.050 1.00 0.00 C ATOM 1040 C THR A 69 78.086 7.854 -12.481 1.00 0.00 C ATOM 1041 O THR A 69 77.401 7.007 -11.920 1.00 0.00 O ATOM 1042 CB THR A 69 79.352 10.011 -12.330 1.00 0.00 C ATOM 1043 OG1 THR A 69 79.666 9.898 -13.713 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.457 9.359 -11.503 1.00 0.00 C ATOM 0 H THR A 69 78.284 8.782 -10.039 1.00 0.00 H new ATOM 0 HA THR A 69 77.235 9.820 -12.617 1.00 0.00 H new ATOM 0 HB THR A 69 79.272 11.064 -12.059 1.00 0.00 H new ATOM 0 HG1 THR A 69 80.608 9.649 -13.815 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.405 9.858 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.219 9.448 -10.443 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.538 8.305 -11.770 1.00 0.00 H new ATOM 1052 N LEU A 70 78.909 7.555 -13.473 1.00 0.00 N ATOM 1053 CA LEU A 70 79.025 6.178 -13.944 1.00 0.00 C ATOM 1054 C LEU A 70 79.283 5.248 -12.758 1.00 0.00 C ATOM 1055 O LEU A 70 78.787 4.120 -12.724 1.00 0.00 O ATOM 1056 CB LEU A 70 80.174 6.051 -14.966 1.00 0.00 C ATOM 1057 CG LEU A 70 79.706 6.404 -16.394 1.00 0.00 C ATOM 1058 CD1 LEU A 70 78.866 5.266 -16.998 1.00 0.00 C ATOM 1059 CD2 LEU A 70 78.882 7.693 -16.380 1.00 0.00 C ATOM 0 H LEU A 70 79.497 8.230 -13.962 1.00 0.00 H new ATOM 0 HA LEU A 70 78.092 5.895 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.993 6.710 -14.678 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.564 5.033 -14.951 1.00 0.00 H new ATOM 0 HG LEU A 70 80.594 6.547 -17.009 1.00 0.00 H new ATOM 0 HD11 LEU A 70 78.550 5.542 -18.004 1.00 0.00 H new ATOM 0 HD12 LEU A 70 79.464 4.356 -17.042 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.988 5.093 -16.376 1.00 0.00 H new ATOM 0 HD21 LEU A 70 78.559 7.929 -17.394 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.008 7.559 -15.743 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.491 8.510 -15.994 1.00 0.00 H new ATOM 1071 N GLU A 71 80.054 5.729 -11.791 1.00 0.00 N ATOM 1072 CA GLU A 71 80.371 4.945 -10.605 1.00 0.00 C ATOM 1073 C GLU A 71 79.099 4.594 -9.842 1.00 0.00 C ATOM 1074 O GLU A 71 79.146 3.942 -8.797 1.00 0.00 O ATOM 1075 CB GLU A 71 81.293 5.743 -9.682 1.00 0.00 C ATOM 1076 CG GLU A 71 82.645 5.969 -10.358 1.00 0.00 C ATOM 1077 CD GLU A 71 83.561 6.741 -9.417 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.097 7.125 -8.355 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.714 6.927 -9.764 1.00 0.00 O1- ATOM 0 H GLU A 71 80.472 6.659 -11.805 1.00 0.00 H new ATOM 0 HA GLU A 71 80.867 4.029 -10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 71 80.835 6.701 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.432 5.208 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.097 5.012 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.511 6.523 -11.287 1.00 0.00 H new ATOM 1086 N ASP A 72 77.965 5.049 -10.359 1.00 0.00 N ATOM 1087 CA ASP A 72 76.683 4.799 -9.716 1.00 0.00 C ATOM 1088 C ASP A 72 76.372 3.309 -9.685 1.00 0.00 C ATOM 1089 O ASP A 72 75.791 2.803 -8.724 1.00 0.00 O ATOM 1090 CB ASP A 72 75.575 5.534 -10.476 1.00 0.00 C ATOM 1091 CG ASP A 72 74.221 5.223 -9.859 1.00 0.00 C ATOM 1092 OD1 ASP A 72 74.207 4.704 -8.757 1.00 0.00 O ATOM 1093 OD2 ASP A 72 73.221 5.511 -10.498 1.00 0.00 O1- ATOM 0 H ASP A 72 77.907 5.592 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 72 76.736 5.165 -8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 72 75.757 6.608 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.583 5.235 -11.524 1.00 0.00 H new ATOM 1098 N ALA A 73 76.745 2.614 -10.745 1.00 0.00 N ATOM 1099 CA ALA A 73 76.478 1.190 -10.832 1.00 0.00 C ATOM 1100 C ALA A 73 77.061 0.444 -9.641 1.00 0.00 C ATOM 1101 O ALA A 73 78.152 0.757 -9.164 1.00 0.00 O ATOM 1102 CB ALA A 73 77.055 0.634 -12.128 1.00 0.00 C ATOM 0 H ALA A 73 77.230 3.009 -11.551 1.00 0.00 H new ATOM 0 HA ALA A 73 75.398 1.046 -10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.852 -0.435 -12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.595 1.139 -12.977 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.132 0.800 -12.147 1.00 0.00 H new ATOM 1108 N GLY A 74 76.314 -0.541 -9.167 1.00 0.00 N ATOM 1109 CA GLY A 74 76.743 -1.336 -8.030 1.00 0.00 C ATOM 1110 C GLY A 74 75.633 -2.289 -7.594 1.00 0.00 C ATOM 1111 O GLY A 74 74.452 -2.020 -7.818 1.00 0.00 O ATOM 0 H GLY A 74 75.408 -0.808 -9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.636 -1.904 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.014 -0.681 -7.202 1.00 0.00 H new ATOM 1115 N THR A 75 76.015 -3.405 -6.978 1.00 0.00 N ATOM 1116 CA THR A 75 75.037 -4.393 -6.522 1.00 0.00 C ATOM 1117 C THR A 75 74.722 -4.204 -5.043 1.00 0.00 C ATOM 1118 O THR A 75 75.564 -4.453 -4.179 1.00 0.00 O ATOM 1119 CB THR A 75 75.580 -5.805 -6.759 1.00 0.00 C ATOM 1120 OG1 THR A 75 76.927 -5.881 -6.309 1.00 0.00 O ATOM 1121 CG2 THR A 75 75.517 -6.128 -8.252 1.00 0.00 C ATOM 0 H THR A 75 76.986 -3.648 -6.784 1.00 0.00 H new ATOM 0 HA THR A 75 74.117 -4.255 -7.090 1.00 0.00 H new ATOM 0 HB THR A 75 74.977 -6.525 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.003 -5.455 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.903 -7.133 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 75 74.483 -6.073 -8.593 1.00 0.00 H new ATOM 0 HG23 THR A 75 76.120 -5.408 -8.806 1.00 0.00 H new ATOM 1129 N VAL A 76 73.492 -3.769 -4.762 1.00 0.00 N ATOM 1130 CA VAL A 76 73.047 -3.546 -3.384 1.00 0.00 C ATOM 1131 C VAL A 76 72.058 -4.635 -2.975 1.00 0.00 C ATOM 1132 O VAL A 76 71.087 -4.907 -3.681 1.00 0.00 O ATOM 1133 CB VAL A 76 72.392 -2.167 -3.272 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.075 -1.852 -1.811 1.00 0.00 C ATOM 1135 CG2 VAL A 76 73.354 -1.105 -3.804 1.00 0.00 C ATOM 0 H VAL A 76 72.786 -3.564 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 76 73.907 -3.585 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 76 71.470 -2.167 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.609 -0.869 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.392 -2.605 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 76 72.997 -1.858 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.890 -0.122 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.273 -1.120 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 76 73.586 -1.314 -4.848 1.00 0.00 H new ATOM 1145 N SER A 77 72.329 -5.265 -1.833 1.00 0.00 N ATOM 1146 CA SER A 77 71.484 -6.345 -1.321 1.00 0.00 C ATOM 1147 C SER A 77 71.418 -6.288 0.200 1.00 0.00 C ATOM 1148 O SER A 77 72.096 -5.471 0.828 1.00 0.00 O ATOM 1149 CB SER A 77 72.070 -7.692 -1.745 1.00 0.00 C ATOM 1150 OG SER A 77 71.411 -8.747 -1.053 1.00 0.00 O ATOM 0 H SER A 77 73.131 -5.045 -1.242 1.00 0.00 H new ATOM 0 HA SER A 77 70.479 -6.229 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 77 71.957 -7.825 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.139 -7.717 -1.531 1.00 0.00 H new ATOM 0 HG SER A 77 70.577 -8.971 -1.516 1.00 0.00 H new ATOM 1156 N PHE A 78 70.607 -7.169 0.787 1.00 0.00 N ATOM 1157 CA PHE A 78 70.464 -7.225 2.244 1.00 0.00 C ATOM 1158 C PHE A 78 70.709 -8.652 2.730 1.00 0.00 C ATOM 1159 O PHE A 78 70.352 -9.615 2.046 1.00 0.00 O ATOM 1160 CB PHE A 78 69.055 -6.778 2.637 1.00 0.00 C ATOM 1161 CG PHE A 78 68.782 -5.414 2.048 1.00 0.00 C ATOM 1162 CD1 PHE A 78 69.023 -4.267 2.808 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.290 -5.301 0.742 1.00 0.00 C ATOM 1164 CE1 PHE A 78 68.771 -3.001 2.264 1.00 0.00 C ATOM 1165 CE2 PHE A 78 68.038 -4.035 0.196 1.00 0.00 C ATOM 1166 CZ PHE A 78 68.278 -2.884 0.957 1.00 0.00 C ATOM 0 H PHE A 78 70.042 -7.850 0.280 1.00 0.00 H new ATOM 0 HA PHE A 78 71.194 -6.560 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.319 -7.497 2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 78 68.961 -6.744 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 78 69.404 -4.356 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.105 -6.189 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.957 -2.114 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.659 -3.947 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.084 -1.908 0.538 1.00 0.00 H new ATOM 1176 N HIS A 79 71.329 -8.786 3.908 1.00 0.00 N ATOM 1177 CA HIS A 79 71.632 -10.105 4.477 1.00 0.00 C ATOM 1178 C HIS A 79 71.194 -10.180 5.939 1.00 0.00 C ATOM 1179 O HIS A 79 71.714 -9.462 6.794 1.00 0.00 O ATOM 1180 CB HIS A 79 73.138 -10.374 4.364 1.00 0.00 C ATOM 1181 CG HIS A 79 73.505 -10.553 2.913 1.00 0.00 C ATOM 1182 ND1 HIS A 79 73.489 -11.792 2.286 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.880 -9.652 1.947 1.00 0.00 C ATOM 1184 CE1 HIS A 79 73.841 -11.600 1.000 1.00 0.00 C ATOM 1185 NE2 HIS A 79 74.092 -10.314 0.741 1.00 0.00 N ATOM 0 H HIS A 79 71.630 -8.000 4.485 1.00 0.00 H new ATOM 0 HA HIS A 79 71.082 -10.863 3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.700 -9.545 4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.403 -11.267 4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 79 73.993 -8.589 2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 79 73.912 -12.390 0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 79 74.378 -9.905 -0.149 1.00 0.00 H new ATOM 1193 N VAL A 80 70.221 -11.051 6.206 1.00 0.00 N ATOM 1194 CA VAL A 80 69.685 -11.228 7.556 1.00 0.00 C ATOM 1195 C VAL A 80 69.404 -12.717 7.802 1.00 0.00 C ATOM 1196 O VAL A 80 68.708 -13.370 7.021 1.00 0.00 O ATOM 1197 CB VAL A 80 68.414 -10.367 7.691 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.425 -10.719 6.584 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.745 -10.551 9.059 1.00 0.00 C ATOM 0 H VAL A 80 69.786 -11.647 5.502 1.00 0.00 H new ATOM 0 HA VAL A 80 70.402 -10.904 8.310 1.00 0.00 H new ATOM 0 HB VAL A 80 68.712 -9.322 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.530 -10.106 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.884 -10.531 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 80 67.154 -11.772 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.853 -9.927 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.466 -11.596 9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.441 -10.260 9.846 1.00 0.00 H new ATOM 1209 N GLY A 81 69.981 -13.241 8.883 1.00 0.00 N ATOM 1210 CA GLY A 81 69.836 -14.655 9.243 1.00 0.00 C ATOM 1211 C GLY A 81 68.420 -15.187 9.006 1.00 0.00 C ATOM 1212 O GLY A 81 68.217 -16.396 8.902 1.00 0.00 O ATOM 0 H GLY A 81 70.558 -12.704 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.543 -15.247 8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.097 -14.786 10.293 1.00 0.00 H new ATOM 1216 N THR A 82 67.448 -14.285 8.929 1.00 0.00 N ATOM 1217 CA THR A 82 66.054 -14.679 8.718 1.00 0.00 C ATOM 1218 C THR A 82 65.781 -14.967 7.240 1.00 0.00 C ATOM 1219 O THR A 82 65.657 -16.122 6.830 1.00 0.00 O ATOM 1220 CB THR A 82 65.128 -13.558 9.190 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.416 -12.376 8.451 1.00 0.00 O ATOM 1222 CG2 THR A 82 65.346 -13.296 10.686 1.00 0.00 C ATOM 0 H THR A 82 67.595 -13.279 9.009 1.00 0.00 H new ATOM 0 HA THR A 82 65.866 -15.588 9.290 1.00 0.00 H new ATOM 0 HB THR A 82 64.090 -13.850 9.029 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.825 -11.653 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.683 -12.496 11.016 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.128 -14.203 11.250 1.00 0.00 H new ATOM 0 HG23 THR A 82 66.382 -13.002 10.857 1.00 0.00 H new ATOM 1230 N CYS A 83 65.680 -13.900 6.450 1.00 0.00 N ATOM 1231 CA CYS A 83 65.415 -14.014 5.008 1.00 0.00 C ATOM 1232 C CYS A 83 66.543 -13.368 4.206 1.00 0.00 C ATOM 1233 O CYS A 83 67.493 -12.837 4.778 1.00 0.00 O ATOM 1234 CB CYS A 83 64.094 -13.315 4.662 1.00 0.00 C ATOM 1235 SG CYS A 83 62.757 -14.021 5.655 1.00 0.00 S ATOM 0 H CYS A 83 65.777 -12.940 6.781 1.00 0.00 H new ATOM 0 HA CYS A 83 65.351 -15.072 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 83 64.176 -12.245 4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.875 -13.434 3.601 1.00 0.00 H new ATOM 0 HG CYS A 83 61.639 -13.426 5.363 1.00 0.00 H new ATOM 1241 N SER A 84 66.424 -13.413 2.876 1.00 0.00 N ATOM 1242 CA SER A 84 67.425 -12.817 1.982 1.00 0.00 C ATOM 1243 C SER A 84 66.729 -11.958 0.928 1.00 0.00 C ATOM 1244 O SER A 84 65.581 -12.222 0.562 1.00 0.00 O ATOM 1245 CB SER A 84 68.247 -13.908 1.285 1.00 0.00 C ATOM 1246 OG SER A 84 69.026 -14.606 2.251 1.00 0.00 O ATOM 0 H SER A 84 65.643 -13.857 2.392 1.00 0.00 H new ATOM 0 HA SER A 84 68.095 -12.199 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 84 67.585 -14.601 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.896 -13.463 0.531 1.00 0.00 H new ATOM 0 HG SER A 84 69.550 -15.304 1.806 1.00 0.00 H new ATOM 1252 N SER A 85 67.420 -10.936 0.435 1.00 0.00 N ATOM 1253 CA SER A 85 66.843 -10.058 -0.581 1.00 0.00 C ATOM 1254 C SER A 85 67.947 -9.444 -1.429 1.00 0.00 C ATOM 1255 O SER A 85 69.123 -9.495 -1.066 1.00 0.00 O ATOM 1256 CB SER A 85 66.000 -8.960 0.077 1.00 0.00 C ATOM 1257 OG SER A 85 65.735 -7.935 -0.871 1.00 0.00 O ATOM 0 H SER A 85 68.370 -10.695 0.717 1.00 0.00 H new ATOM 0 HA SER A 85 66.194 -10.649 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.064 -9.378 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.528 -8.547 0.937 1.00 0.00 H new ATOM 0 HG SER A 85 65.195 -7.233 -0.452 1.00 0.00 H new ATOM 1263 N GLU A 86 67.568 -8.889 -2.576 1.00 0.00 N ATOM 1264 CA GLU A 86 68.541 -8.296 -3.486 1.00 0.00 C ATOM 1265 C GLU A 86 67.938 -7.122 -4.250 1.00 0.00 C ATOM 1266 O GLU A 86 66.718 -6.972 -4.325 1.00 0.00 O ATOM 1267 CB GLU A 86 69.023 -9.371 -4.461 1.00 0.00 C ATOM 1268 CG GLU A 86 67.874 -9.766 -5.392 1.00 0.00 C ATOM 1269 CD GLU A 86 68.269 -10.982 -6.220 1.00 0.00 C ATOM 1270 OE1 GLU A 86 69.440 -11.107 -6.536 1.00 0.00 O ATOM 1271 OE2 GLU A 86 67.393 -11.777 -6.522 1.00 0.00 O1- ATOM 0 H GLU A 86 66.601 -8.838 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 86 69.382 -7.914 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 69.865 -8.998 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 86 69.377 -10.243 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 86 66.981 -9.988 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 86 67.625 -8.933 -6.050 1.00 0.00 H new ATOM 1278 N ALA A 87 68.817 -6.294 -4.812 1.00 0.00 N ATOM 1279 CA ALA A 87 68.396 -5.122 -5.572 1.00 0.00 C ATOM 1280 C ALA A 87 69.482 -4.732 -6.571 1.00 0.00 C ATOM 1281 O ALA A 87 70.656 -5.058 -6.388 1.00 0.00 O ATOM 1282 CB ALA A 87 68.128 -3.952 -4.625 1.00 0.00 C ATOM 0 H ALA A 87 69.828 -6.415 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 87 67.480 -5.363 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.814 -3.082 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.340 -4.225 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.038 -3.714 -4.074 1.00 0.00 H new ATOM 1288 N GLN A 88 69.079 -4.045 -7.638 1.00 0.00 N ATOM 1289 CA GLN A 88 70.013 -3.621 -8.686 1.00 0.00 C ATOM 1290 C GLN A 88 69.987 -2.104 -8.877 1.00 0.00 C ATOM 1291 O GLN A 88 68.925 -1.509 -9.050 1.00 0.00 O ATOM 1292 CB GLN A 88 69.621 -4.317 -9.986 1.00 0.00 C ATOM 1293 CG GLN A 88 69.940 -5.806 -9.865 1.00 0.00 C ATOM 1294 CD GLN A 88 69.475 -6.538 -11.114 1.00 0.00 C ATOM 1295 OE1 GLN A 88 68.279 -6.593 -11.394 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.357 -7.106 -11.884 1.00 0.00 N ATOM 0 H GLN A 88 68.111 -3.768 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 88 71.027 -3.896 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.559 -4.174 -10.185 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.164 -3.882 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.012 -5.947 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.449 -6.222 -8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.348 -7.057 -11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 88 70.057 -7.600 -12.725 1.00 0.00 H new ATOM 1305 N LEU A 89 71.175 -1.483 -8.847 1.00 0.00 N ATOM 1306 CA LEU A 89 71.302 -0.028 -9.019 1.00 0.00 C ATOM 1307 C LEU A 89 72.202 0.263 -10.232 1.00 0.00 C ATOM 1308 O LEU A 89 73.373 -0.108 -10.230 1.00 0.00 O ATOM 1309 CB LEU A 89 71.930 0.570 -7.743 1.00 0.00 C ATOM 1310 CG LEU A 89 71.564 2.053 -7.596 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.217 2.621 -6.325 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.050 2.835 -8.819 1.00 0.00 C ATOM 0 H LEU A 89 72.062 -1.966 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 89 70.322 0.418 -9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.584 0.018 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.014 0.461 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 89 70.481 2.148 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 89 71.956 3.674 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 89 71.858 2.071 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.300 2.521 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.786 3.887 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.132 2.740 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 89 71.578 2.436 -9.717 1.00 0.00 H new ATOM 1324 N LYS A 90 71.664 0.919 -11.269 1.00 0.00 N ATOM 1325 CA LYS A 90 72.465 1.227 -12.467 1.00 0.00 C ATOM 1326 C LYS A 90 72.081 2.577 -13.071 1.00 0.00 C ATOM 1327 O LYS A 90 71.051 3.154 -12.725 1.00 0.00 O ATOM 1328 CB LYS A 90 72.310 0.121 -13.514 1.00 0.00 C ATOM 1329 CG LYS A 90 70.868 0.043 -14.009 1.00 0.00 C ATOM 1330 CD LYS A 90 70.758 -1.098 -15.022 1.00 0.00 C ATOM 1331 CE LYS A 90 69.316 -1.215 -15.507 1.00 0.00 C ATOM 1332 NZ LYS A 90 69.086 -0.190 -16.559 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.697 1.242 -11.306 1.00 0.00 H new ATOM 0 HA LYS A 90 73.508 1.283 -12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 90 72.978 0.313 -14.354 1.00 0.00 H new ATOM 0 HB3 LYS A 90 72.604 -0.837 -13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 90 70.190 -0.128 -13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.575 0.987 -14.469 1.00 0.00 H new ATOM 0 HD2 LYS A 90 71.422 -0.914 -15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 90 71.076 -2.035 -14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 90 69.130 -2.213 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 90 68.624 -1.068 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 68.324 -0.507 -17.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 68.815 0.710 -16.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 69.958 -0.055 -17.109 1.00 0.00 H new ATOM 1346 N VAL A 91 72.925 3.081 -13.981 1.00 0.00 N ATOM 1347 CA VAL A 91 72.671 4.373 -14.633 1.00 0.00 C ATOM 1348 C VAL A 91 72.175 4.154 -16.053 1.00 0.00 C ATOM 1349 O VAL A 91 72.729 3.356 -16.804 1.00 0.00 O ATOM 1350 CB VAL A 91 73.956 5.228 -14.646 1.00 0.00 C ATOM 1351 CG1 VAL A 91 75.151 4.367 -15.043 1.00 0.00 C ATOM 1352 CG2 VAL A 91 73.828 6.387 -15.650 1.00 0.00 C ATOM 0 H VAL A 91 73.783 2.618 -14.281 1.00 0.00 H new ATOM 0 HA VAL A 91 71.904 4.904 -14.069 1.00 0.00 H new ATOM 0 HB VAL A 91 74.103 5.632 -13.644 1.00 0.00 H new ATOM 0 HG11 VAL A 91 76.054 4.978 -15.050 1.00 0.00 H new ATOM 0 HG12 VAL A 91 75.268 3.554 -14.326 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.986 3.952 -16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 91 74.744 6.977 -15.643 1.00 0.00 H new ATOM 0 HG22 VAL A 91 73.662 5.986 -16.650 1.00 0.00 H new ATOM 0 HG23 VAL A 91 72.987 7.020 -15.369 1.00 0.00 H new ATOM 1362 N THR A 92 71.109 4.870 -16.405 1.00 0.00 N ATOM 1363 CA THR A 92 70.516 4.749 -17.735 1.00 0.00 C ATOM 1364 C THR A 92 70.909 5.933 -18.620 1.00 0.00 C ATOM 1365 O THR A 92 70.999 7.066 -18.153 1.00 0.00 O ATOM 1366 CB THR A 92 68.993 4.668 -17.607 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.429 4.382 -18.875 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.438 5.994 -17.093 1.00 0.00 C ATOM 0 H THR A 92 70.640 5.537 -15.791 1.00 0.00 H new ATOM 0 HA THR A 92 70.892 3.840 -18.205 1.00 0.00 H new ATOM 0 HB THR A 92 68.736 3.877 -16.902 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.454 4.328 -18.795 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.354 5.925 -17.006 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.868 6.214 -16.116 1.00 0.00 H new ATOM 0 HG23 THR A 92 68.696 6.791 -17.790 1.00 0.00 H new ATOM 1376 N ALA A 93 71.155 5.665 -19.902 1.00 0.00 N ATOM 1377 CA ALA A 93 71.546 6.723 -20.838 1.00 0.00 C ATOM 1378 C ALA A 93 70.317 7.379 -21.470 1.00 0.00 C ATOM 1379 O ALA A 93 70.433 8.395 -22.156 1.00 0.00 O ATOM 1380 CB ALA A 93 72.433 6.138 -21.939 1.00 0.00 C ATOM 0 H ALA A 93 71.092 4.734 -20.315 1.00 0.00 H new ATOM 0 HA ALA A 93 72.097 7.482 -20.283 1.00 0.00 H new ATOM 0 HB1 ALA A 93 72.721 6.928 -22.632 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.327 5.703 -21.493 1.00 0.00 H new ATOM 0 HB3 ALA A 93 71.883 5.366 -22.477 1.00 0.00 H new ATOM 1386 N GLY A 94 69.144 6.796 -21.241 1.00 0.00 N ATOM 1387 CA GLY A 94 67.910 7.344 -21.801 1.00 0.00 C ATOM 1388 C GLY A 94 66.691 6.855 -21.025 1.00 0.00 C ATOM 1389 O GLY A 94 65.654 7.490 -21.129 1.00 0.00 O ATOM 0 H GLY A 94 69.021 5.954 -20.679 1.00 0.00 H new ATOM 0 HA2 GLY A 94 67.948 8.433 -21.776 1.00 0.00 H new ATOM 0 HA3 GLY A 94 67.820 7.052 -22.847 1.00 0.00 H new TER 1393 GLY A 94