USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 598 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 76 GLN : amide:sc= -3.54! C(o=-3.3!,f=-6.1!) USER MOD Set 1.2: A 77 THR OG1 : rot -30:sc= 0.264 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -7.52! C(o=-7.5!,f=-8.8!) USER MOD Single : A 25 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -90:sc= -1.14 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 45:sc= -1.24! USER MOD Single : A 43 THR OG1 : rot -177:sc= -1.44 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.0492 (180deg=-0.337) USER MOD Single : A 56 GLN : amide:sc= -6.89! C(o=-6.9!,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -164:sc= -0.014 (180deg=-0.0697) USER MOD Single : A 62 SER OG : rot 35:sc= 1.16 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -4.85! C(o=-4.9!,f=-5.6!) USER MOD Single : A 83 MET CE :methyl -135:sc= -1.17 (180deg=-5.4!) USER MOD Single : A 86 ASN : amide:sc= -0.419 K(o=-0.42,f=-2.9!) USER MOD Single : A 92 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 3.790 -1.289 -0.150 1.00 0.00 N ATOM 18 CA THR A 22 4.784 -2.342 -0.023 1.00 0.00 C ATOM 19 C THR A 22 4.741 -2.949 1.381 1.00 0.00 C ATOM 20 O THR A 22 4.295 -2.302 2.328 1.00 0.00 O ATOM 21 CB THR A 22 6.147 -1.751 -0.388 1.00 0.00 C ATOM 22 OG1 THR A 22 6.914 -2.878 -0.804 1.00 0.00 O ATOM 23 CG2 THR A 22 6.901 -1.218 0.832 1.00 0.00 C ATOM 0 HA THR A 22 4.577 -3.166 -0.706 1.00 0.00 H new ATOM 0 HB THR A 22 6.011 -0.946 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.813 -2.585 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.861 -0.810 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.313 -0.434 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.067 -2.030 1.540 1.00 0.00 H new ATOM 31 N HIS A 23 5.211 -4.184 1.471 1.00 0.00 N ATOM 32 CA HIS A 23 5.232 -4.886 2.744 1.00 0.00 C ATOM 33 C HIS A 23 6.583 -4.669 3.427 1.00 0.00 C ATOM 34 O HIS A 23 7.613 -5.128 2.935 1.00 0.00 O ATOM 35 CB HIS A 23 4.894 -6.366 2.554 1.00 0.00 C ATOM 36 CG HIS A 23 3.499 -6.616 2.034 1.00 0.00 C ATOM 37 ND1 HIS A 23 2.475 -5.693 2.160 1.00 0.00 N ATOM 38 CD2 HIS A 23 2.969 -7.693 1.385 1.00 0.00 C ATOM 39 CE1 HIS A 23 1.383 -6.202 1.609 1.00 0.00 C ATOM 40 NE2 HIS A 23 1.691 -7.442 1.130 1.00 0.00 N ATOM 0 H HIS A 23 5.580 -4.717 0.684 1.00 0.00 H new ATOM 0 HA HIS A 23 4.463 -4.479 3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.613 -6.806 1.863 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.013 -6.880 3.508 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.500 -8.597 1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.418 -5.720 1.549 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.045 -8.072 0.654 1.00 0.00 H new ATOM 48 N ILE A 24 6.536 -3.969 4.551 1.00 0.00 N ATOM 49 CA ILE A 24 7.744 -3.685 5.307 1.00 0.00 C ATOM 50 C ILE A 24 7.404 -3.619 6.798 1.00 0.00 C ATOM 51 O ILE A 24 6.253 -3.818 7.185 1.00 0.00 O ATOM 52 CB ILE A 24 8.425 -2.422 4.776 1.00 0.00 C ATOM 53 CG1 ILE A 24 7.754 -1.163 5.328 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.467 -2.425 3.246 1.00 0.00 C ATOM 55 CD1 ILE A 24 8.513 0.095 4.902 1.00 0.00 C ATOM 0 H ILE A 24 5.680 -3.590 4.956 1.00 0.00 H new ATOM 0 HA ILE A 24 8.470 -4.488 5.180 1.00 0.00 H new ATOM 0 HB ILE A 24 9.457 -2.417 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.725 -1.109 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.713 -1.216 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.956 -1.517 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.024 -3.295 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.451 -2.465 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.015 0.975 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.534 0.049 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.532 0.158 3.814 1.00 0.00 H new ATOM 67 N ASN A 25 8.425 -3.339 7.593 1.00 0.00 N ATOM 68 CA ASN A 25 8.249 -3.244 9.033 1.00 0.00 C ATOM 69 C ASN A 25 8.152 -1.771 9.434 1.00 0.00 C ATOM 70 O ASN A 25 8.589 -0.892 8.694 1.00 0.00 O ATOM 71 CB ASN A 25 9.437 -3.859 9.775 1.00 0.00 C ATOM 72 CG ASN A 25 10.664 -2.949 9.696 1.00 0.00 C ATOM 73 OD1 ASN A 25 10.776 -1.953 10.391 1.00 0.00 O ATOM 74 ND2 ASN A 25 11.576 -3.345 8.812 1.00 0.00 N ATOM 0 H ASN A 25 9.378 -3.175 7.268 1.00 0.00 H new ATOM 0 HA ASN A 25 7.340 -3.784 9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.171 -4.027 10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.674 -4.833 9.346 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.431 -2.804 8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.420 -4.189 8.262 1.00 0.00 H new ATOM 81 N LEU A 26 7.576 -1.547 10.606 1.00 0.00 N ATOM 82 CA LEU A 26 7.416 -0.196 11.115 1.00 0.00 C ATOM 83 C LEU A 26 7.928 -0.134 12.556 1.00 0.00 C ATOM 84 O LEU A 26 7.742 -1.076 13.325 1.00 0.00 O ATOM 85 CB LEU A 26 5.967 0.268 10.957 1.00 0.00 C ATOM 86 CG LEU A 26 5.448 1.227 12.031 1.00 0.00 C ATOM 87 CD1 LEU A 26 4.735 2.424 11.400 1.00 0.00 C ATOM 88 CD2 LEU A 26 4.558 0.494 13.037 1.00 0.00 C ATOM 0 H LEU A 26 7.214 -2.279 11.218 1.00 0.00 H new ATOM 0 HA LEU A 26 8.016 0.504 10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.866 0.753 9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.324 -0.612 10.943 1.00 0.00 H new ATOM 0 HG LEU A 26 6.304 1.617 12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.376 3.089 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.430 2.964 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.890 2.073 10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.203 1.198 13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.705 0.057 12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.131 -0.296 13.522 1.00 0.00 H new ATOM 100 N LYS A 27 8.562 0.984 12.878 1.00 0.00 N ATOM 101 CA LYS A 27 9.101 1.180 14.213 1.00 0.00 C ATOM 102 C LYS A 27 8.699 2.566 14.722 1.00 0.00 C ATOM 103 O LYS A 27 9.161 3.580 14.202 1.00 0.00 O ATOM 104 CB LYS A 27 10.612 0.937 14.221 1.00 0.00 C ATOM 105 CG LYS A 27 11.130 0.758 15.649 1.00 0.00 C ATOM 106 CD LYS A 27 11.112 2.086 16.410 1.00 0.00 C ATOM 107 CE LYS A 27 12.481 2.384 17.024 1.00 0.00 C ATOM 108 NZ LYS A 27 13.181 3.431 16.247 1.00 0.00 N ATOM 0 H LYS A 27 8.714 1.763 12.238 1.00 0.00 H new ATOM 0 HA LYS A 27 8.680 0.451 14.905 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.845 0.050 13.632 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.122 1.776 13.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.516 0.026 16.173 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.145 0.363 15.624 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.829 2.893 15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.357 2.049 17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.360 2.710 18.057 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.082 1.475 17.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.108 3.621 16.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.314 3.106 15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.613 4.302 16.249 1.00 0.00 H new ATOM 121 N VAL A 28 7.841 2.564 15.732 1.00 0.00 N ATOM 122 CA VAL A 28 7.371 3.808 16.317 1.00 0.00 C ATOM 123 C VAL A 28 8.105 4.055 17.637 1.00 0.00 C ATOM 124 O VAL A 28 8.047 3.230 18.547 1.00 0.00 O ATOM 125 CB VAL A 28 5.850 3.770 16.476 1.00 0.00 C ATOM 126 CG1 VAL A 28 5.194 3.034 15.306 1.00 0.00 C ATOM 127 CG2 VAL A 28 5.455 3.137 17.812 1.00 0.00 C ATOM 0 H VAL A 28 7.459 1.720 16.160 1.00 0.00 H new ATOM 0 HA VAL A 28 7.594 4.648 15.659 1.00 0.00 H new ATOM 0 HB VAL A 28 5.487 4.798 16.471 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.113 3.022 15.444 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.435 3.545 14.374 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.566 2.010 15.265 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.369 3.122 17.900 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.837 2.117 17.858 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.878 3.720 18.630 1.00 0.00 H new ATOM 137 N SER A 29 8.777 5.195 17.699 1.00 0.00 N ATOM 138 CA SER A 29 9.521 5.561 18.892 1.00 0.00 C ATOM 139 C SER A 29 8.937 6.837 19.502 1.00 0.00 C ATOM 140 O SER A 29 8.491 7.727 18.779 1.00 0.00 O ATOM 141 CB SER A 29 11.006 5.754 18.578 1.00 0.00 C ATOM 142 OG SER A 29 11.205 6.474 17.364 1.00 0.00 O ATOM 0 H SER A 29 8.822 5.877 16.942 1.00 0.00 H new ATOM 0 HA SER A 29 9.433 4.748 19.613 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.484 6.288 19.399 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.491 4.781 18.506 1.00 0.00 H new ATOM 0 HG SER A 29 12.165 6.578 17.199 1.00 0.00 H new ATOM 148 N ASP A 30 8.959 6.886 20.826 1.00 0.00 N ATOM 149 CA ASP A 30 8.437 8.038 21.541 1.00 0.00 C ATOM 150 C ASP A 30 8.991 8.042 22.967 1.00 0.00 C ATOM 151 O ASP A 30 9.545 7.043 23.424 1.00 0.00 O ATOM 152 CB ASP A 30 6.910 7.989 21.626 1.00 0.00 C ATOM 153 CG ASP A 30 6.323 8.438 22.965 1.00 0.00 C ATOM 154 OD1 ASP A 30 6.632 7.868 24.022 1.00 0.00 O ATOM 155 OD2 ASP A 30 5.503 9.432 22.895 1.00 0.00 O ATOM 0 H ASP A 30 9.330 6.146 21.422 1.00 0.00 H new ATOM 0 HA ASP A 30 8.739 8.935 21.000 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.497 8.617 20.836 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.582 6.969 21.427 1.00 0.00 H new ATOM 161 N GLY A 31 8.821 9.176 23.631 1.00 0.00 N ATOM 162 CA GLY A 31 9.297 9.322 24.996 1.00 0.00 C ATOM 163 C GLY A 31 9.508 7.956 25.652 1.00 0.00 C ATOM 164 O GLY A 31 10.644 7.521 25.838 1.00 0.00 O ATOM 0 H GLY A 31 8.360 10.002 23.249 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.233 9.880 25.001 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.578 9.901 25.576 1.00 0.00 H new ATOM 168 N SER A 32 8.396 7.317 25.985 1.00 0.00 N ATOM 169 CA SER A 32 8.445 6.009 26.617 1.00 0.00 C ATOM 170 C SER A 32 7.694 4.987 25.762 1.00 0.00 C ATOM 171 O SER A 32 7.665 3.801 26.088 1.00 0.00 O ATOM 172 CB SER A 32 7.856 6.056 28.028 1.00 0.00 C ATOM 173 OG SER A 32 8.662 5.349 28.967 1.00 0.00 O ATOM 0 H SER A 32 7.456 7.680 25.829 1.00 0.00 H new ATOM 0 HA SER A 32 9.489 5.708 26.699 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.757 7.094 28.345 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.853 5.629 28.017 1.00 0.00 H new ATOM 0 HG SER A 32 8.253 5.404 29.856 1.00 0.00 H new ATOM 179 N SER A 33 7.104 5.483 24.685 1.00 0.00 N ATOM 180 CA SER A 33 6.354 4.627 23.781 1.00 0.00 C ATOM 181 C SER A 33 7.230 4.229 22.591 1.00 0.00 C ATOM 182 O SER A 33 7.403 5.007 21.655 1.00 0.00 O ATOM 183 CB SER A 33 5.081 5.322 23.294 1.00 0.00 C ATOM 184 OG SER A 33 4.352 4.515 22.373 1.00 0.00 O ATOM 0 H SER A 33 7.130 6.467 24.418 1.00 0.00 H new ATOM 0 HA SER A 33 6.060 3.729 24.324 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.448 5.559 24.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.343 6.268 22.819 1.00 0.00 H new ATOM 0 HG SER A 33 4.656 4.704 21.461 1.00 0.00 H new ATOM 190 N GLU A 34 7.759 3.016 22.667 1.00 0.00 N ATOM 191 CA GLU A 34 8.612 2.505 21.608 1.00 0.00 C ATOM 192 C GLU A 34 8.293 1.033 21.333 1.00 0.00 C ATOM 193 O GLU A 34 8.607 0.165 22.146 1.00 0.00 O ATOM 194 CB GLU A 34 10.090 2.690 21.957 1.00 0.00 C ATOM 195 CG GLU A 34 10.377 2.228 23.387 1.00 0.00 C ATOM 196 CD GLU A 34 9.982 3.303 24.400 1.00 0.00 C ATOM 197 OE1 GLU A 34 9.768 4.464 24.021 1.00 0.00 O ATOM 198 OE2 GLU A 34 9.898 2.897 25.622 1.00 0.00 O ATOM 0 H GLU A 34 7.613 2.373 23.445 1.00 0.00 H new ATOM 0 HA GLU A 34 8.413 3.075 20.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.706 2.125 21.258 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.365 3.739 21.848 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.828 1.309 23.593 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.437 1.996 23.492 1.00 0.00 H new ATOM 206 N ILE A 35 7.674 0.799 20.185 1.00 0.00 N ATOM 207 CA ILE A 35 7.310 -0.552 19.794 1.00 0.00 C ATOM 208 C ILE A 35 7.653 -0.760 18.317 1.00 0.00 C ATOM 209 O ILE A 35 7.564 0.171 17.518 1.00 0.00 O ATOM 210 CB ILE A 35 5.843 -0.830 20.130 1.00 0.00 C ATOM 211 CG1 ILE A 35 5.699 -2.134 20.917 1.00 0.00 C ATOM 212 CG2 ILE A 35 4.981 -0.824 18.866 1.00 0.00 C ATOM 213 CD1 ILE A 35 5.543 -3.329 19.973 1.00 0.00 C ATOM 0 H ILE A 35 7.416 1.522 19.514 1.00 0.00 H new ATOM 0 HA ILE A 35 7.887 -1.282 20.362 1.00 0.00 H new ATOM 0 HB ILE A 35 5.480 -0.026 20.770 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.573 -2.279 21.551 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.833 -2.071 21.577 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.943 -1.024 19.132 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.050 0.151 18.383 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.335 -1.594 18.181 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.442 -4.244 20.557 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.654 -3.192 19.357 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.421 -3.403 19.332 1.00 0.00 H new ATOM 225 N PHE A 36 8.037 -1.988 17.999 1.00 0.00 N ATOM 226 CA PHE A 36 8.393 -2.330 16.633 1.00 0.00 C ATOM 227 C PHE A 36 7.644 -3.580 16.168 1.00 0.00 C ATOM 228 O PHE A 36 7.698 -4.620 16.823 1.00 0.00 O ATOM 229 CB PHE A 36 9.896 -2.616 16.621 1.00 0.00 C ATOM 230 CG PHE A 36 10.561 -2.510 17.995 1.00 0.00 C ATOM 231 CD1 PHE A 36 10.684 -1.298 18.599 1.00 0.00 C ATOM 232 CD2 PHE A 36 11.028 -3.629 18.613 1.00 0.00 C ATOM 233 CE1 PHE A 36 11.301 -1.200 19.874 1.00 0.00 C ATOM 234 CE2 PHE A 36 11.645 -3.530 19.888 1.00 0.00 C ATOM 235 CZ PHE A 36 11.768 -2.318 20.492 1.00 0.00 C ATOM 0 H PHE A 36 8.109 -2.758 18.664 1.00 0.00 H new ATOM 0 HA PHE A 36 8.129 -1.511 15.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.062 -3.618 16.225 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.383 -1.919 15.939 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.312 -0.410 18.109 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.929 -4.592 18.134 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.400 -0.237 20.353 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.017 -4.418 20.378 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.236 -2.243 21.462 1.00 0.00 H new ATOM 245 N PHE A 37 6.963 -3.438 15.040 1.00 0.00 N ATOM 246 CA PHE A 37 6.205 -4.543 14.480 1.00 0.00 C ATOM 247 C PHE A 37 6.180 -4.472 12.952 1.00 0.00 C ATOM 248 O PHE A 37 6.438 -3.419 12.371 1.00 0.00 O ATOM 249 CB PHE A 37 4.774 -4.416 15.007 1.00 0.00 C ATOM 250 CG PHE A 37 4.543 -5.109 16.352 1.00 0.00 C ATOM 251 CD1 PHE A 37 5.047 -6.353 16.572 1.00 0.00 C ATOM 252 CD2 PHE A 37 3.835 -4.480 17.328 1.00 0.00 C ATOM 253 CE1 PHE A 37 4.832 -6.996 17.820 1.00 0.00 C ATOM 254 CE2 PHE A 37 3.620 -5.122 18.576 1.00 0.00 C ATOM 255 CZ PHE A 37 4.124 -6.367 18.796 1.00 0.00 C ATOM 0 H PHE A 37 6.921 -2.574 14.499 1.00 0.00 H new ATOM 0 HA PHE A 37 6.662 -5.490 14.766 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.527 -3.359 15.107 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.088 -4.835 14.271 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.611 -6.852 15.798 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.436 -3.492 17.154 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.231 -7.984 17.994 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.057 -4.623 19.350 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.962 -6.855 19.746 1.00 0.00 H new ATOM 265 N LYS A 38 5.867 -5.607 12.343 1.00 0.00 N ATOM 266 CA LYS A 38 5.805 -5.687 10.894 1.00 0.00 C ATOM 267 C LYS A 38 4.417 -5.248 10.422 1.00 0.00 C ATOM 268 O LYS A 38 3.435 -5.400 11.146 1.00 0.00 O ATOM 269 CB LYS A 38 6.204 -7.084 10.417 1.00 0.00 C ATOM 270 CG LYS A 38 7.637 -7.419 10.835 1.00 0.00 C ATOM 271 CD LYS A 38 7.652 -8.302 12.084 1.00 0.00 C ATOM 272 CE LYS A 38 9.069 -8.434 12.645 1.00 0.00 C ATOM 273 NZ LYS A 38 9.296 -9.801 13.163 1.00 0.00 N ATOM 0 H LYS A 38 5.654 -6.479 12.828 1.00 0.00 H new ATOM 0 HA LYS A 38 6.526 -5.004 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.519 -7.823 10.832 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.115 -7.141 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.148 -7.929 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.187 -6.498 11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.995 -7.876 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.260 -9.289 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.797 -8.208 11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.220 -7.707 13.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.263 -9.873 13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.613 -10.003 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.172 -10.489 12.393 1.00 0.00 H new ATOM 286 N ILE A 39 4.381 -4.714 9.210 1.00 0.00 N ATOM 287 CA ILE A 39 3.130 -4.252 8.633 1.00 0.00 C ATOM 288 C ILE A 39 3.149 -4.496 7.123 1.00 0.00 C ATOM 289 O ILE A 39 4.215 -4.659 6.530 1.00 0.00 O ATOM 290 CB ILE A 39 2.867 -2.795 9.017 1.00 0.00 C ATOM 291 CG1 ILE A 39 3.592 -1.838 8.068 1.00 0.00 C ATOM 292 CG2 ILE A 39 3.235 -2.539 10.480 1.00 0.00 C ATOM 293 CD1 ILE A 39 5.090 -1.788 8.379 1.00 0.00 C ATOM 0 H ILE A 39 5.198 -4.591 8.612 1.00 0.00 H new ATOM 0 HA ILE A 39 2.292 -4.820 9.038 1.00 0.00 H new ATOM 0 HB ILE A 39 1.799 -2.602 8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.441 -2.159 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.165 -0.839 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.039 -1.496 10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.637 -3.184 11.124 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.292 -2.755 10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.582 -1.101 7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.238 -1.444 9.403 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.519 -2.784 8.266 1.00 0.00 H new ATOM 305 N LYS A 40 1.958 -4.513 6.543 1.00 0.00 N ATOM 306 CA LYS A 40 1.825 -4.734 5.113 1.00 0.00 C ATOM 307 C LYS A 40 1.579 -3.394 4.415 1.00 0.00 C ATOM 308 O LYS A 40 0.574 -3.224 3.727 1.00 0.00 O ATOM 309 CB LYS A 40 0.746 -5.781 4.831 1.00 0.00 C ATOM 310 CG LYS A 40 1.115 -7.130 5.453 1.00 0.00 C ATOM 311 CD LYS A 40 1.808 -8.034 4.431 1.00 0.00 C ATOM 312 CE LYS A 40 1.276 -9.466 4.517 1.00 0.00 C ATOM 313 NZ LYS A 40 2.394 -10.428 4.636 1.00 0.00 N ATOM 0 H LYS A 40 1.076 -4.377 7.037 1.00 0.00 H new ATOM 0 HA LYS A 40 2.748 -5.143 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.209 -5.441 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.618 -5.896 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.772 -6.972 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.216 -7.620 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.648 -7.643 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.884 -8.031 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.612 -9.563 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.685 -9.694 3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.015 -11.395 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.012 -10.347 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.942 -10.219 5.495 1.00 0.00 H new ATOM 326 N LYS A 41 2.514 -2.478 4.616 1.00 0.00 N ATOM 327 CA LYS A 41 2.411 -1.159 4.015 1.00 0.00 C ATOM 328 C LYS A 41 3.573 -0.290 4.501 1.00 0.00 C ATOM 329 O LYS A 41 3.864 -0.249 5.696 1.00 0.00 O ATOM 330 CB LYS A 41 1.033 -0.552 4.286 1.00 0.00 C ATOM 331 CG LYS A 41 0.334 -0.174 2.979 1.00 0.00 C ATOM 332 CD LYS A 41 -1.159 0.071 3.207 1.00 0.00 C ATOM 333 CE LYS A 41 -1.999 -1.045 2.583 1.00 0.00 C ATOM 334 NZ LYS A 41 -2.727 -0.543 1.395 1.00 0.00 N ATOM 0 H LYS A 41 3.347 -2.623 5.187 1.00 0.00 H new ATOM 0 HA LYS A 41 2.495 -1.227 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.420 -1.265 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.138 0.332 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.794 0.722 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.468 -0.971 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.362 0.130 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.444 1.030 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.355 -1.877 2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.708 -1.428 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.292 -1.313 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.356 0.236 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.045 -0.199 0.689 1.00 0.00 H new ATOM 347 N THR A 42 4.204 0.384 3.551 1.00 0.00 N ATOM 348 CA THR A 42 5.327 1.250 3.868 1.00 0.00 C ATOM 349 C THR A 42 4.829 2.607 4.368 1.00 0.00 C ATOM 350 O THR A 42 5.350 3.141 5.346 1.00 0.00 O ATOM 351 CB THR A 42 6.213 1.348 2.624 1.00 0.00 C ATOM 352 OG1 THR A 42 6.965 2.542 2.827 1.00 0.00 O ATOM 353 CG2 THR A 42 5.409 1.626 1.352 1.00 0.00 C ATOM 0 H THR A 42 3.959 0.348 2.561 1.00 0.00 H new ATOM 0 HA THR A 42 5.927 0.840 4.681 1.00 0.00 H new ATOM 0 HB THR A 42 6.773 0.421 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.296 2.567 3.749 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.086 1.686 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.693 0.820 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.875 2.570 1.458 1.00 0.00 H new ATOM 361 N THR A 43 3.827 3.126 3.675 1.00 0.00 N ATOM 362 CA THR A 43 3.253 4.411 4.036 1.00 0.00 C ATOM 363 C THR A 43 3.281 4.599 5.554 1.00 0.00 C ATOM 364 O THR A 43 2.366 4.168 6.254 1.00 0.00 O ATOM 365 CB THR A 43 1.845 4.485 3.441 1.00 0.00 C ATOM 366 OG1 THR A 43 1.176 5.448 4.250 1.00 0.00 O ATOM 367 CG2 THR A 43 1.049 3.196 3.660 1.00 0.00 C ATOM 0 H THR A 43 3.397 2.680 2.865 1.00 0.00 H new ATOM 0 HA THR A 43 3.838 5.234 3.626 1.00 0.00 H new ATOM 0 HB THR A 43 1.913 4.693 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.242 5.524 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.058 3.301 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.569 2.362 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.952 3.005 4.729 1.00 0.00 H new ATOM 375 N PRO A 44 4.369 5.260 6.031 1.00 0.00 N ATOM 376 CA PRO A 44 4.529 5.511 7.454 1.00 0.00 C ATOM 377 C PRO A 44 3.600 6.633 7.920 1.00 0.00 C ATOM 378 O PRO A 44 2.911 6.494 8.930 1.00 0.00 O ATOM 379 CB PRO A 44 6.001 5.846 7.632 1.00 0.00 C ATOM 380 CG PRO A 44 6.511 6.226 6.251 1.00 0.00 C ATOM 381 CD PRO A 44 5.473 5.785 5.232 1.00 0.00 C ATOM 0 HA PRO A 44 4.253 4.652 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.132 6.667 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.550 4.993 8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.675 7.302 6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.469 5.745 6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.150 6.619 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.874 5.024 4.562 1.00 0.00 H new ATOM 389 N LEU A 45 3.610 7.720 7.163 1.00 0.00 N ATOM 390 CA LEU A 45 2.776 8.866 7.486 1.00 0.00 C ATOM 391 C LEU A 45 1.383 8.379 7.890 1.00 0.00 C ATOM 392 O LEU A 45 0.736 8.981 8.745 1.00 0.00 O ATOM 393 CB LEU A 45 2.767 9.865 6.328 1.00 0.00 C ATOM 394 CG LEU A 45 2.098 9.389 5.037 1.00 0.00 C ATOM 395 CD1 LEU A 45 1.980 10.533 4.027 1.00 0.00 C ATOM 396 CD2 LEU A 45 2.834 8.182 4.451 1.00 0.00 C ATOM 0 H LEU A 45 4.183 7.832 6.326 1.00 0.00 H new ATOM 0 HA LEU A 45 3.185 9.407 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.264 10.773 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.798 10.137 6.101 1.00 0.00 H new ATOM 0 HG LEU A 45 1.085 9.064 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.501 10.168 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.381 11.336 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.974 10.910 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.338 7.864 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.865 8.457 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.824 7.364 5.172 1.00 0.00 H new ATOM 408 N ARG A 46 0.963 7.295 7.256 1.00 0.00 N ATOM 409 CA ARG A 46 -0.342 6.721 7.539 1.00 0.00 C ATOM 410 C ARG A 46 -0.210 5.573 8.541 1.00 0.00 C ATOM 411 O ARG A 46 -1.161 5.254 9.253 1.00 0.00 O ATOM 412 CB ARG A 46 -1.003 6.200 6.261 1.00 0.00 C ATOM 413 CG ARG A 46 -1.205 7.329 5.249 1.00 0.00 C ATOM 414 CD ARG A 46 -2.544 7.182 4.524 1.00 0.00 C ATOM 415 NE ARG A 46 -2.516 7.935 3.250 1.00 0.00 N ATOM 416 CZ ARG A 46 -3.552 8.003 2.387 1.00 0.00 C ATOM 417 NH1 ARG A 46 -4.710 7.364 2.656 1.00 0.00 N ATOM 418 NH2 ARG A 46 -3.416 8.705 1.278 1.00 0.00 N ATOM 0 H ARG A 46 1.503 6.798 6.547 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.966 7.508 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.385 5.418 5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.965 5.747 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.168 8.291 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.392 7.322 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.748 6.129 4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.352 7.551 5.156 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.660 8.434 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.807 6.825 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.488 7.420 1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.538 9.186 1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.189 8.767 0.615 1.00 0.00 H new ATOM 431 N ARG A 47 0.976 4.983 8.565 1.00 0.00 N ATOM 432 CA ARG A 47 1.244 3.877 9.469 1.00 0.00 C ATOM 433 C ARG A 47 1.377 4.386 10.906 1.00 0.00 C ATOM 434 O ARG A 47 0.510 4.131 11.741 1.00 0.00 O ATOM 435 CB ARG A 47 2.526 3.142 9.075 1.00 0.00 C ATOM 436 CG ARG A 47 2.318 1.626 9.094 1.00 0.00 C ATOM 437 CD ARG A 47 1.690 1.143 7.785 1.00 0.00 C ATOM 438 NE ARG A 47 0.459 1.913 7.500 1.00 0.00 N ATOM 439 CZ ARG A 47 -0.756 1.615 8.008 1.00 0.00 C ATOM 440 NH1 ARG A 47 -0.912 0.558 8.834 1.00 0.00 N ATOM 441 NH2 ARG A 47 -1.788 2.371 7.686 1.00 0.00 N ATOM 0 H ARG A 47 1.762 5.250 7.973 1.00 0.00 H new ATOM 0 HA ARG A 47 0.406 3.183 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.839 3.457 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.329 3.411 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.274 1.126 9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.676 1.354 9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.400 1.260 6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.456 0.081 7.854 1.00 0.00 H new ATOM 0 HE ARG A 47 0.533 2.720 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.109 -0.021 9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.833 0.339 9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.662 3.168 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.712 2.159 8.061 1.00 0.00 H new ATOM 454 N LEU A 48 2.468 5.096 11.149 1.00 0.00 N ATOM 455 CA LEU A 48 2.725 5.643 12.471 1.00 0.00 C ATOM 456 C LEU A 48 1.487 6.401 12.954 1.00 0.00 C ATOM 457 O LEU A 48 1.192 6.417 14.148 1.00 0.00 O ATOM 458 CB LEU A 48 4.000 6.489 12.461 1.00 0.00 C ATOM 459 CG LEU A 48 4.991 6.221 13.596 1.00 0.00 C ATOM 460 CD1 LEU A 48 6.289 5.614 13.058 1.00 0.00 C ATOM 461 CD2 LEU A 48 5.247 7.490 14.411 1.00 0.00 C ATOM 0 H LEU A 48 3.184 5.305 10.454 1.00 0.00 H new ATOM 0 HA LEU A 48 2.907 4.842 13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.512 6.328 11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.715 7.541 12.495 1.00 0.00 H new ATOM 0 HG LEU A 48 4.548 5.489 14.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.976 5.433 13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.069 4.672 12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.747 6.304 12.350 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.955 7.272 15.211 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.660 8.262 13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.309 7.841 14.842 1.00 0.00 H new ATOM 473 N MET A 49 0.797 7.012 12.002 1.00 0.00 N ATOM 474 CA MET A 49 -0.402 7.770 12.316 1.00 0.00 C ATOM 475 C MET A 49 -1.305 6.994 13.276 1.00 0.00 C ATOM 476 O MET A 49 -1.853 7.566 14.218 1.00 0.00 O ATOM 477 CB MET A 49 -1.167 8.072 11.026 1.00 0.00 C ATOM 478 CG MET A 49 -1.720 9.498 11.037 1.00 0.00 C ATOM 479 SD MET A 49 -3.372 9.518 10.363 1.00 0.00 S ATOM 480 CE MET A 49 -4.293 8.949 11.782 1.00 0.00 C ATOM 0 H MET A 49 1.046 6.997 11.013 1.00 0.00 H new ATOM 0 HA MET A 49 -0.105 8.701 12.799 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.507 7.941 10.169 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.986 7.362 10.910 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.730 9.885 12.056 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.072 10.152 10.453 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.353 8.903 11.533 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.944 7.957 12.069 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.145 9.640 12.612 1.00 0.00 H new ATOM 490 N GLU A 50 -1.433 5.704 13.005 1.00 0.00 N ATOM 491 CA GLU A 50 -2.261 4.844 13.834 1.00 0.00 C ATOM 492 C GLU A 50 -1.390 4.047 14.808 1.00 0.00 C ATOM 493 O GLU A 50 -1.711 3.945 15.991 1.00 0.00 O ATOM 494 CB GLU A 50 -3.116 3.911 12.974 1.00 0.00 C ATOM 495 CG GLU A 50 -4.510 3.731 13.578 1.00 0.00 C ATOM 496 CD GLU A 50 -5.526 3.336 12.504 1.00 0.00 C ATOM 497 OE1 GLU A 50 -5.852 2.148 12.366 1.00 0.00 O ATOM 498 OE2 GLU A 50 -5.982 4.316 11.799 1.00 0.00 O ATOM 0 H GLU A 50 -0.978 5.233 12.223 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.938 5.473 14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.202 4.317 11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.626 2.941 12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.478 2.965 14.353 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.825 4.658 14.058 1.00 0.00 H new ATOM 506 N ALA A 51 -0.306 3.504 14.274 1.00 0.00 N ATOM 507 CA ALA A 51 0.613 2.720 15.082 1.00 0.00 C ATOM 508 C ALA A 51 0.988 3.514 16.335 1.00 0.00 C ATOM 509 O ALA A 51 0.632 3.128 17.448 1.00 0.00 O ATOM 510 CB ALA A 51 1.836 2.343 14.243 1.00 0.00 C ATOM 0 H ALA A 51 -0.043 3.591 13.292 1.00 0.00 H new ATOM 0 HA ALA A 51 0.142 1.792 15.408 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.526 1.755 14.849 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.519 1.756 13.381 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.336 3.249 13.901 1.00 0.00 H new ATOM 516 N PHE A 52 1.702 4.607 16.113 1.00 0.00 N ATOM 517 CA PHE A 52 2.130 5.458 17.211 1.00 0.00 C ATOM 518 C PHE A 52 0.934 5.911 18.050 1.00 0.00 C ATOM 519 O PHE A 52 1.099 6.346 19.189 1.00 0.00 O ATOM 520 CB PHE A 52 2.797 6.687 16.590 1.00 0.00 C ATOM 521 CG PHE A 52 2.148 8.014 16.987 1.00 0.00 C ATOM 522 CD1 PHE A 52 2.209 8.442 18.277 1.00 0.00 C ATOM 523 CD2 PHE A 52 1.510 8.766 16.051 1.00 0.00 C ATOM 524 CE1 PHE A 52 1.607 9.674 18.645 1.00 0.00 C ATOM 525 CE2 PHE A 52 0.908 9.998 16.419 1.00 0.00 C ATOM 526 CZ PHE A 52 0.969 10.426 17.709 1.00 0.00 C ATOM 0 H PHE A 52 1.995 4.924 15.189 1.00 0.00 H new ATOM 0 HA PHE A 52 2.811 4.911 17.863 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.847 6.705 16.884 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.771 6.592 15.504 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.715 7.845 19.021 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.461 8.426 15.027 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.656 10.014 19.669 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.402 10.595 15.675 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.511 11.363 17.989 1.00 0.00 H new ATOM 536 N ALA A 53 -0.245 5.794 17.456 1.00 0.00 N ATOM 537 CA ALA A 53 -1.468 6.186 18.135 1.00 0.00 C ATOM 538 C ALA A 53 -2.126 4.948 18.748 1.00 0.00 C ATOM 539 O ALA A 53 -3.125 5.058 19.456 1.00 0.00 O ATOM 540 CB ALA A 53 -2.389 6.909 17.151 1.00 0.00 C ATOM 0 H ALA A 53 -0.379 5.433 16.511 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.250 6.879 18.947 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.307 7.203 17.660 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.886 7.797 16.767 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.631 6.243 16.323 1.00 0.00 H new ATOM 546 N LYS A 54 -1.538 3.797 18.452 1.00 0.00 N ATOM 547 CA LYS A 54 -2.055 2.540 18.965 1.00 0.00 C ATOM 548 C LYS A 54 -1.288 2.158 20.233 1.00 0.00 C ATOM 549 O LYS A 54 -1.822 1.469 21.101 1.00 0.00 O ATOM 550 CB LYS A 54 -2.021 1.464 17.878 1.00 0.00 C ATOM 551 CG LYS A 54 -3.252 1.558 16.974 1.00 0.00 C ATOM 552 CD LYS A 54 -4.535 1.297 17.766 1.00 0.00 C ATOM 553 CE LYS A 54 -5.566 0.559 16.911 1.00 0.00 C ATOM 554 NZ LYS A 54 -5.132 -0.834 16.662 1.00 0.00 N ATOM 0 H LYS A 54 -0.709 3.709 17.864 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.103 2.645 19.245 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.117 1.575 17.280 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.979 0.477 18.339 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.297 2.546 16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.168 0.835 16.163 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.305 0.708 18.654 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.953 2.243 18.110 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.533 0.560 17.415 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.700 1.079 15.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.961 -1.421 16.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.469 -0.853 15.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.661 -1.208 17.511 1.00 0.00 H new ATOM 567 N ARG A 55 -0.049 2.621 20.299 1.00 0.00 N ATOM 568 CA ARG A 55 0.796 2.336 21.446 1.00 0.00 C ATOM 569 C ARG A 55 0.835 3.541 22.389 1.00 0.00 C ATOM 570 O ARG A 55 0.617 3.399 23.591 1.00 0.00 O ATOM 571 CB ARG A 55 2.222 1.995 21.008 1.00 0.00 C ATOM 572 CG ARG A 55 2.550 0.530 21.303 1.00 0.00 C ATOM 573 CD ARG A 55 2.583 0.267 22.810 1.00 0.00 C ATOM 574 NE ARG A 55 1.302 -0.332 23.248 1.00 0.00 N ATOM 575 CZ ARG A 55 0.936 -0.475 24.539 1.00 0.00 C ATOM 576 NH1 ARG A 55 1.752 -0.062 25.532 1.00 0.00 N ATOM 577 NH2 ARG A 55 -0.232 -1.024 24.816 1.00 0.00 N ATOM 0 H ARG A 55 0.390 3.192 19.577 1.00 0.00 H new ATOM 0 HA ARG A 55 0.371 1.477 21.965 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.335 2.189 19.941 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.930 2.642 21.526 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.806 -0.114 20.834 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.515 0.274 20.865 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.409 -0.402 23.053 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.760 1.199 23.346 1.00 0.00 H new ATOM 0 HE ARG A 55 0.656 -0.657 22.529 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.653 0.362 25.309 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.468 -0.174 26.505 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.843 -1.333 24.060 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.524 -1.140 25.786 1.00 0.00 H new ATOM 590 N GLN A 56 1.112 4.698 21.808 1.00 0.00 N ATOM 591 CA GLN A 56 1.181 5.926 22.581 1.00 0.00 C ATOM 592 C GLN A 56 -0.184 6.617 22.604 1.00 0.00 C ATOM 593 O GLN A 56 -0.599 7.144 23.635 1.00 0.00 O ATOM 594 CB GLN A 56 2.260 6.862 22.030 1.00 0.00 C ATOM 595 CG GLN A 56 2.452 8.075 22.942 1.00 0.00 C ATOM 596 CD GLN A 56 2.760 7.640 24.376 1.00 0.00 C ATOM 597 OE1 GLN A 56 3.902 7.578 24.802 1.00 0.00 O ATOM 598 NE2 GLN A 56 1.682 7.342 25.095 1.00 0.00 N ATOM 0 H GLN A 56 1.291 4.811 20.810 1.00 0.00 H new ATOM 0 HA GLN A 56 1.455 5.672 23.605 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.202 6.321 21.935 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.982 7.195 21.030 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.265 8.694 22.563 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.552 8.689 22.930 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.754 7.415 24.677 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.783 7.040 26.064 1.00 0.00 H new ATOM 607 N GLY A 57 -0.843 6.592 21.455 1.00 0.00 N ATOM 608 CA GLY A 57 -2.153 7.209 21.331 1.00 0.00 C ATOM 609 C GLY A 57 -3.096 6.722 22.433 1.00 0.00 C ATOM 610 O GLY A 57 -4.104 7.365 22.721 1.00 0.00 O ATOM 0 H GLY A 57 -0.495 6.155 20.602 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.055 8.293 21.385 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.578 6.975 20.355 1.00 0.00 H new ATOM 614 N LYS A 58 -2.734 5.590 23.020 1.00 0.00 N ATOM 615 CA LYS A 58 -3.535 5.010 24.084 1.00 0.00 C ATOM 616 C LYS A 58 -3.670 6.021 25.224 1.00 0.00 C ATOM 617 O LYS A 58 -4.643 5.988 25.976 1.00 0.00 O ATOM 618 CB LYS A 58 -2.952 3.665 24.520 1.00 0.00 C ATOM 619 CG LYS A 58 -3.868 2.510 24.109 1.00 0.00 C ATOM 620 CD LYS A 58 -3.232 1.159 24.442 1.00 0.00 C ATOM 621 CE LYS A 58 -3.805 0.051 23.557 1.00 0.00 C ATOM 622 NZ LYS A 58 -4.688 -0.837 24.346 1.00 0.00 N ATOM 0 H LYS A 58 -1.897 5.060 22.779 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.543 4.794 23.729 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.967 3.530 24.073 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.815 3.658 25.601 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.826 2.601 24.621 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.072 2.566 23.040 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.152 1.217 24.304 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.407 0.919 25.491 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.365 0.490 22.731 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.993 -0.529 23.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.069 -1.584 23.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.144 -1.270 25.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.473 -0.282 24.743 1.00 0.00 H new ATOM 635 N GLU A 59 -2.679 6.895 25.317 1.00 0.00 N ATOM 636 CA GLU A 59 -2.675 7.914 26.354 1.00 0.00 C ATOM 637 C GLU A 59 -3.145 9.253 25.783 1.00 0.00 C ATOM 638 O GLU A 59 -3.426 10.187 26.533 1.00 0.00 O ATOM 639 CB GLU A 59 -1.289 8.045 26.988 1.00 0.00 C ATOM 640 CG GLU A 59 -1.378 7.991 28.515 1.00 0.00 C ATOM 641 CD GLU A 59 -1.497 6.547 29.007 1.00 0.00 C ATOM 642 OE1 GLU A 59 -2.067 5.698 28.305 1.00 0.00 O ATOM 643 OE2 GLU A 59 -0.972 6.319 30.163 1.00 0.00 O ATOM 0 H GLU A 59 -1.873 6.919 24.692 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.370 7.611 27.137 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.644 7.243 26.629 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.831 8.985 26.680 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.494 8.456 28.951 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.240 8.566 28.853 1.00 0.00 H new ATOM 651 N MET A 60 -3.215 9.305 24.461 1.00 0.00 N ATOM 652 CA MET A 60 -3.646 10.515 23.781 1.00 0.00 C ATOM 653 C MET A 60 -2.975 11.751 24.383 1.00 0.00 C ATOM 654 O MET A 60 -3.534 12.846 24.344 1.00 0.00 O ATOM 655 CB MET A 60 -5.166 10.652 23.897 1.00 0.00 C ATOM 656 CG MET A 60 -5.835 10.516 22.527 1.00 0.00 C ATOM 657 SD MET A 60 -5.230 11.783 21.425 1.00 0.00 S ATOM 658 CE MET A 60 -4.544 10.765 20.129 1.00 0.00 C ATOM 0 H MET A 60 -2.980 8.529 23.842 1.00 0.00 H new ATOM 0 HA MET A 60 -3.357 10.442 22.732 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.553 9.889 24.572 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.415 11.619 24.333 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.630 9.530 22.109 1.00 0.00 H new ATOM 0 HG3 MET A 60 -6.917 10.599 22.631 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.882 11.366 19.506 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.980 9.944 20.571 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.351 10.362 19.517 1.00 0.00 H new ATOM 668 N ASP A 61 -1.786 11.534 24.925 1.00 0.00 N ATOM 669 CA ASP A 61 -1.032 12.617 25.534 1.00 0.00 C ATOM 670 C ASP A 61 0.040 13.100 24.556 1.00 0.00 C ATOM 671 O ASP A 61 0.667 14.134 24.777 1.00 0.00 O ATOM 672 CB ASP A 61 -0.331 12.149 26.811 1.00 0.00 C ATOM 673 CG ASP A 61 0.351 13.257 27.617 1.00 0.00 C ATOM 674 OD1 ASP A 61 -0.309 14.177 28.122 1.00 0.00 O ATOM 675 OD2 ASP A 61 1.632 13.148 27.719 1.00 0.00 O ATOM 0 H ASP A 61 -1.326 10.624 24.955 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.730 13.418 25.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.063 11.654 27.449 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.416 11.402 26.544 1.00 0.00 H new ATOM 681 N SER A 62 0.217 12.328 23.493 1.00 0.00 N ATOM 682 CA SER A 62 1.203 12.664 22.480 1.00 0.00 C ATOM 683 C SER A 62 0.502 13.152 21.210 1.00 0.00 C ATOM 684 O SER A 62 -0.182 12.380 20.539 1.00 0.00 O ATOM 685 CB SER A 62 2.099 11.465 22.164 1.00 0.00 C ATOM 686 OG SER A 62 2.833 11.651 20.957 1.00 0.00 O ATOM 0 H SER A 62 -0.306 11.471 23.312 1.00 0.00 H new ATOM 0 HA SER A 62 1.835 13.462 22.869 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.793 11.303 22.989 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.487 10.567 22.082 1.00 0.00 H new ATOM 0 HG SER A 62 3.081 12.595 20.867 1.00 0.00 H new ATOM 692 N LEU A 63 0.696 14.429 20.919 1.00 0.00 N ATOM 693 CA LEU A 63 0.092 15.029 19.741 1.00 0.00 C ATOM 694 C LEU A 63 1.145 15.850 18.994 1.00 0.00 C ATOM 695 O LEU A 63 0.856 16.943 18.510 1.00 0.00 O ATOM 696 CB LEU A 63 -1.153 15.830 20.128 1.00 0.00 C ATOM 697 CG LEU A 63 -1.513 15.835 21.615 1.00 0.00 C ATOM 698 CD1 LEU A 63 -2.469 16.983 21.944 1.00 0.00 C ATOM 699 CD2 LEU A 63 -2.076 14.479 22.046 1.00 0.00 C ATOM 0 H LEU A 63 1.263 15.066 21.479 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.254 14.256 19.054 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.012 16.862 19.805 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.002 15.435 19.570 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.601 16.002 22.187 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.709 16.963 23.007 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.996 17.933 21.696 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.385 16.872 21.363 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.324 14.509 23.107 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.974 14.258 21.469 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.331 13.703 21.869 1.00 0.00 H new ATOM 711 N ARG A 64 2.344 15.291 18.924 1.00 0.00 N ATOM 712 CA ARG A 64 3.442 15.958 18.245 1.00 0.00 C ATOM 713 C ARG A 64 4.323 14.933 17.527 1.00 0.00 C ATOM 714 O ARG A 64 5.361 14.529 18.049 1.00 0.00 O ATOM 715 CB ARG A 64 4.298 16.755 19.231 1.00 0.00 C ATOM 716 CG ARG A 64 5.515 17.365 18.533 1.00 0.00 C ATOM 717 CD ARG A 64 6.449 18.034 19.543 1.00 0.00 C ATOM 718 NE ARG A 64 6.578 19.476 19.236 1.00 0.00 N ATOM 719 CZ ARG A 64 7.230 20.361 20.018 1.00 0.00 C ATOM 720 NH1 ARG A 64 7.820 19.959 21.164 1.00 0.00 N ATOM 721 NH2 ARG A 64 7.283 21.627 19.646 1.00 0.00 N ATOM 0 H ARG A 64 2.579 14.384 19.326 1.00 0.00 H new ATOM 0 HA ARG A 64 3.012 16.646 17.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.699 17.546 19.682 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.627 16.104 20.041 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.055 16.588 17.992 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.186 18.097 17.796 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.060 17.902 20.553 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.429 17.559 19.514 1.00 0.00 H new ATOM 0 HE ARG A 64 6.147 19.823 18.379 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.775 18.979 21.444 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.311 20.635 21.749 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.835 21.923 18.779 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.772 22.309 20.226 1.00 0.00 H new ATOM 734 N PHE A 65 3.876 14.543 16.343 1.00 0.00 N ATOM 735 CA PHE A 65 4.611 13.573 15.548 1.00 0.00 C ATOM 736 C PHE A 65 5.751 14.245 14.780 1.00 0.00 C ATOM 737 O PHE A 65 5.513 15.127 13.957 1.00 0.00 O ATOM 738 CB PHE A 65 3.621 12.972 14.548 1.00 0.00 C ATOM 739 CG PHE A 65 3.284 13.896 13.376 1.00 0.00 C ATOM 740 CD1 PHE A 65 4.058 13.886 12.258 1.00 0.00 C ATOM 741 CD2 PHE A 65 2.209 14.726 13.452 1.00 0.00 C ATOM 742 CE1 PHE A 65 3.744 14.743 11.170 1.00 0.00 C ATOM 743 CE2 PHE A 65 1.896 15.583 12.364 1.00 0.00 C ATOM 744 CZ PHE A 65 2.670 15.574 11.246 1.00 0.00 C ATOM 0 H PHE A 65 3.014 14.881 15.914 1.00 0.00 H new ATOM 0 HA PHE A 65 5.045 12.812 16.197 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.034 12.042 14.157 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.700 12.716 15.072 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.911 13.227 12.197 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.594 14.733 14.340 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.358 14.735 10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.043 16.242 12.424 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.432 16.226 10.419 1.00 0.00 H new ATOM 754 N LEU A 66 6.963 13.801 15.075 1.00 0.00 N ATOM 755 CA LEU A 66 8.141 14.348 14.422 1.00 0.00 C ATOM 756 C LEU A 66 9.227 13.273 14.354 1.00 0.00 C ATOM 757 O LEU A 66 9.212 12.320 15.133 1.00 0.00 O ATOM 758 CB LEU A 66 8.591 15.634 15.119 1.00 0.00 C ATOM 759 CG LEU A 66 9.517 15.455 16.323 1.00 0.00 C ATOM 760 CD1 LEU A 66 10.927 15.064 15.877 1.00 0.00 C ATOM 761 CD2 LEU A 66 9.521 16.707 17.202 1.00 0.00 C ATOM 0 H LEU A 66 7.156 13.068 15.758 1.00 0.00 H new ATOM 0 HA LEU A 66 7.910 14.633 13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.097 16.263 14.387 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.704 16.176 15.446 1.00 0.00 H new ATOM 0 HG LEU A 66 9.133 14.636 16.931 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.565 14.943 16.752 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.887 14.125 15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.335 15.845 15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.187 16.553 18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.867 17.560 16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.511 16.901 17.564 1.00 0.00 H new ATOM 773 N TYR A 67 10.144 13.461 13.417 1.00 0.00 N ATOM 774 CA TYR A 67 11.235 12.519 13.237 1.00 0.00 C ATOM 775 C TYR A 67 12.540 13.076 13.811 1.00 0.00 C ATOM 776 O TYR A 67 13.298 12.352 14.455 1.00 0.00 O ATOM 777 CB TYR A 67 11.393 12.340 11.726 1.00 0.00 C ATOM 778 CG TYR A 67 12.697 11.653 11.314 1.00 0.00 C ATOM 779 CD1 TYR A 67 13.328 10.790 12.186 1.00 0.00 C ATOM 780 CD2 TYR A 67 13.241 11.897 10.069 1.00 0.00 C ATOM 781 CE1 TYR A 67 14.555 10.143 11.798 1.00 0.00 C ATOM 782 CE2 TYR A 67 14.468 11.250 9.681 1.00 0.00 C ATOM 783 CZ TYR A 67 15.064 10.406 10.565 1.00 0.00 C ATOM 784 OH TYR A 67 16.223 9.795 10.198 1.00 0.00 O ATOM 0 H TYR A 67 10.154 14.253 12.774 1.00 0.00 H new ATOM 0 HA TYR A 67 11.020 11.581 13.749 1.00 0.00 H new ATOM 0 HB2 TYR A 67 10.552 11.757 11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 67 11.342 13.318 11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.902 10.599 13.160 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.747 12.573 9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.059 9.465 12.471 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.905 11.431 8.710 1.00 0.00 H new ATOM 0 HH TYR A 67 16.468 10.075 9.291 1.00 0.00 H new ATOM 794 N ASP A 68 12.761 14.357 13.558 1.00 0.00 N ATOM 795 CA ASP A 68 13.961 15.019 14.042 1.00 0.00 C ATOM 796 C ASP A 68 13.582 16.012 15.143 1.00 0.00 C ATOM 797 O ASP A 68 13.809 15.751 16.324 1.00 0.00 O ATOM 798 CB ASP A 68 14.650 15.799 12.921 1.00 0.00 C ATOM 799 CG ASP A 68 15.648 14.989 12.090 1.00 0.00 C ATOM 800 OD1 ASP A 68 16.468 14.234 12.634 1.00 0.00 O ATOM 801 OD2 ASP A 68 15.561 15.160 10.814 1.00 0.00 O ATOM 0 H ASP A 68 12.130 14.955 13.024 1.00 0.00 H new ATOM 0 HA ASP A 68 14.639 14.253 14.419 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.886 16.200 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.171 16.651 13.358 1.00 0.00 H new ATOM 807 N GLY A 69 13.010 17.128 14.718 1.00 0.00 N ATOM 808 CA GLY A 69 12.597 18.161 15.653 1.00 0.00 C ATOM 809 C GLY A 69 11.826 19.272 14.938 1.00 0.00 C ATOM 810 O GLY A 69 11.907 20.437 15.325 1.00 0.00 O ATOM 0 H GLY A 69 12.822 17.340 13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.972 17.723 16.431 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.473 18.581 16.146 1.00 0.00 H new ATOM 814 N ILE A 70 11.096 18.873 13.907 1.00 0.00 N ATOM 815 CA ILE A 70 10.311 19.821 13.134 1.00 0.00 C ATOM 816 C ILE A 70 9.115 19.098 12.511 1.00 0.00 C ATOM 817 O ILE A 70 8.854 19.236 11.317 1.00 0.00 O ATOM 818 CB ILE A 70 11.195 20.540 12.112 1.00 0.00 C ATOM 819 CG1 ILE A 70 11.638 19.585 11.002 1.00 0.00 C ATOM 820 CG2 ILE A 70 12.384 21.217 12.796 1.00 0.00 C ATOM 821 CD1 ILE A 70 12.989 18.948 11.335 1.00 0.00 C ATOM 0 H ILE A 70 11.031 17.906 13.589 1.00 0.00 H new ATOM 0 HA ILE A 70 9.911 20.602 13.781 1.00 0.00 H new ATOM 0 HB ILE A 70 10.604 21.326 11.642 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.888 18.806 10.867 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.709 20.126 10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.996 21.720 12.048 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.020 21.948 13.519 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.984 20.466 13.310 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.281 18.273 10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.742 19.728 11.446 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.907 18.388 12.266 1.00 0.00 H new ATOM 833 N ARG A 71 8.419 18.343 13.349 1.00 0.00 N ATOM 834 CA ARG A 71 7.257 17.598 12.896 1.00 0.00 C ATOM 835 C ARG A 71 7.507 17.020 11.502 1.00 0.00 C ATOM 836 O ARG A 71 6.757 17.296 10.567 1.00 0.00 O ATOM 837 CB ARG A 71 6.014 18.489 12.855 1.00 0.00 C ATOM 838 CG ARG A 71 6.215 19.667 11.899 1.00 0.00 C ATOM 839 CD ARG A 71 6.860 20.853 12.619 1.00 0.00 C ATOM 840 NE ARG A 71 7.720 21.608 11.680 1.00 0.00 N ATOM 841 CZ ARG A 71 7.255 22.296 10.615 1.00 0.00 C ATOM 842 NH1 ARG A 71 5.933 22.330 10.345 1.00 0.00 N ATOM 843 NH2 ARG A 71 8.113 22.935 9.842 1.00 0.00 N ATOM 0 H ARG A 71 8.638 18.231 14.339 1.00 0.00 H new ATOM 0 HA ARG A 71 7.086 16.787 13.604 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.152 17.902 12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.796 18.861 13.856 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.843 19.359 11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.255 19.969 11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.088 21.507 13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.452 20.499 13.463 1.00 0.00 H new ATOM 0 HE ARG A 71 8.726 21.609 11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.276 21.834 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.590 22.852 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.110 22.904 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.779 23.459 9.034 1.00 0.00 H new ATOM 856 N ILE A 72 8.565 16.227 11.406 1.00 0.00 N ATOM 857 CA ILE A 72 8.924 15.607 10.142 1.00 0.00 C ATOM 858 C ILE A 72 8.805 14.088 10.272 1.00 0.00 C ATOM 859 O ILE A 72 8.609 13.568 11.370 1.00 0.00 O ATOM 860 CB ILE A 72 10.307 16.079 9.687 1.00 0.00 C ATOM 861 CG1 ILE A 72 11.312 16.020 10.839 1.00 0.00 C ATOM 862 CG2 ILE A 72 10.232 17.473 9.062 1.00 0.00 C ATOM 863 CD1 ILE A 72 12.629 15.386 10.385 1.00 0.00 C ATOM 0 H ILE A 72 9.185 16.000 12.183 1.00 0.00 H new ATOM 0 HA ILE A 72 8.233 15.915 9.357 1.00 0.00 H new ATOM 0 HB ILE A 72 10.663 15.399 8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.499 17.026 11.215 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.892 15.444 11.664 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.228 17.785 8.747 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.569 17.449 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.845 18.180 9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.326 15.356 11.222 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.442 14.372 10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.058 15.978 9.577 1.00 0.00 H new ATOM 875 N GLN A 73 8.927 13.417 9.136 1.00 0.00 N ATOM 876 CA GLN A 73 8.836 11.967 9.110 1.00 0.00 C ATOM 877 C GLN A 73 9.960 11.380 8.254 1.00 0.00 C ATOM 878 O GLN A 73 10.765 12.118 7.689 1.00 0.00 O ATOM 879 CB GLN A 73 7.466 11.513 8.601 1.00 0.00 C ATOM 880 CG GLN A 73 6.454 11.437 9.745 1.00 0.00 C ATOM 881 CD GLN A 73 5.248 12.339 9.472 1.00 0.00 C ATOM 882 OE1 GLN A 73 5.279 13.222 8.631 1.00 0.00 O ATOM 883 NE2 GLN A 73 4.187 12.068 10.227 1.00 0.00 N ATOM 0 H GLN A 73 9.088 13.851 8.227 1.00 0.00 H new ATOM 0 HA GLN A 73 8.950 11.597 10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.109 12.207 7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.556 10.537 8.125 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.121 10.407 9.872 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.932 11.735 10.678 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.228 11.314 10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.332 12.614 10.120 1.00 0.00 H new ATOM 892 N ALA A 74 9.980 10.057 8.187 1.00 0.00 N ATOM 893 CA ALA A 74 10.993 9.362 7.411 1.00 0.00 C ATOM 894 C ALA A 74 10.500 9.194 5.972 1.00 0.00 C ATOM 895 O ALA A 74 10.761 10.041 5.119 1.00 0.00 O ATOM 896 CB ALA A 74 11.317 8.023 8.076 1.00 0.00 C ATOM 0 H ALA A 74 9.311 9.448 8.658 1.00 0.00 H new ATOM 0 HA ALA A 74 11.916 9.941 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.077 7.502 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.690 8.199 9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.415 7.413 8.124 1.00 0.00 H new ATOM 902 N ASP A 75 9.795 8.095 5.746 1.00 0.00 N ATOM 903 CA ASP A 75 9.263 7.805 4.426 1.00 0.00 C ATOM 904 C ASP A 75 7.815 8.293 4.345 1.00 0.00 C ATOM 905 O ASP A 75 6.961 7.622 3.769 1.00 0.00 O ATOM 906 CB ASP A 75 9.270 6.300 4.147 1.00 0.00 C ATOM 907 CG ASP A 75 10.172 5.476 5.068 1.00 0.00 C ATOM 908 OD1 ASP A 75 9.844 5.241 6.241 1.00 0.00 O ATOM 909 OD2 ASP A 75 11.269 5.063 4.529 1.00 0.00 O ATOM 0 H ASP A 75 9.580 7.395 6.456 1.00 0.00 H new ATOM 0 HA ASP A 75 9.890 8.311 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.250 5.925 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.584 6.138 3.116 1.00 0.00 H new ATOM 915 N GLN A 76 7.584 9.459 4.931 1.00 0.00 N ATOM 916 CA GLN A 76 6.255 10.046 4.933 1.00 0.00 C ATOM 917 C GLN A 76 5.836 10.415 3.508 1.00 0.00 C ATOM 918 O GLN A 76 4.671 10.724 3.261 1.00 0.00 O ATOM 919 CB GLN A 76 6.195 11.264 5.856 1.00 0.00 C ATOM 920 CG GLN A 76 5.156 12.275 5.363 1.00 0.00 C ATOM 921 CD GLN A 76 5.692 13.076 4.175 1.00 0.00 C ATOM 922 OE1 GLN A 76 6.859 13.012 3.826 1.00 0.00 O ATOM 923 NE2 GLN A 76 4.777 13.833 3.576 1.00 0.00 N ATOM 0 H GLN A 76 8.295 10.013 5.408 1.00 0.00 H new ATOM 0 HA GLN A 76 5.552 9.306 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.946 10.946 6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.175 11.738 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.244 11.753 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.890 12.954 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.817 13.840 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.036 14.406 2.773 1.00 0.00 H new ATOM 932 N THR A 77 6.808 10.371 2.610 1.00 0.00 N ATOM 933 CA THR A 77 6.555 10.698 1.217 1.00 0.00 C ATOM 934 C THR A 77 5.928 9.504 0.495 1.00 0.00 C ATOM 935 O THR A 77 6.245 8.354 0.797 1.00 0.00 O ATOM 936 CB THR A 77 7.873 11.162 0.592 1.00 0.00 C ATOM 937 OG1 THR A 77 8.497 11.921 1.624 1.00 0.00 O ATOM 938 CG2 THR A 77 7.662 12.171 -0.538 1.00 0.00 C ATOM 0 H THR A 77 7.773 10.114 2.819 1.00 0.00 H new ATOM 0 HA THR A 77 5.833 11.509 1.126 1.00 0.00 H new ATOM 0 HB THR A 77 8.418 10.299 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.810 12.329 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.628 12.467 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.060 11.716 -1.324 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.147 13.050 -0.150 1.00 0.00 H new ATOM 946 N PRO A 78 5.025 9.825 -0.471 1.00 0.00 N ATOM 947 CA PRO A 78 4.351 8.792 -1.238 1.00 0.00 C ATOM 948 C PRO A 78 5.292 8.176 -2.275 1.00 0.00 C ATOM 949 O PRO A 78 4.977 7.148 -2.872 1.00 0.00 O ATOM 950 CB PRO A 78 3.151 9.486 -1.863 1.00 0.00 C ATOM 951 CG PRO A 78 3.454 10.974 -1.804 1.00 0.00 C ATOM 952 CD PRO A 78 4.624 11.175 -0.855 1.00 0.00 C ATOM 0 HA PRO A 78 4.032 7.951 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.002 9.158 -2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.237 9.252 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.698 11.353 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.582 11.528 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.441 11.708 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.332 11.764 0.015 1.00 0.00 H new ATOM 960 N GLU A 79 6.429 8.831 -2.458 1.00 0.00 N ATOM 961 CA GLU A 79 7.419 8.361 -3.412 1.00 0.00 C ATOM 962 C GLU A 79 8.539 7.611 -2.689 1.00 0.00 C ATOM 963 O GLU A 79 9.120 6.676 -3.239 1.00 0.00 O ATOM 964 CB GLU A 79 7.980 9.522 -4.237 1.00 0.00 C ATOM 965 CG GLU A 79 7.599 9.380 -5.712 1.00 0.00 C ATOM 966 CD GLU A 79 8.782 9.728 -6.619 1.00 0.00 C ATOM 967 OE1 GLU A 79 9.569 10.629 -6.293 1.00 0.00 O ATOM 968 OE2 GLU A 79 8.868 9.024 -7.696 1.00 0.00 O ATOM 0 H GLU A 79 6.687 9.684 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 79 6.932 7.671 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.599 10.466 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.065 9.552 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.272 8.359 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.757 10.034 -5.939 1.00 0.00 H new ATOM 976 N ASP A 80 8.809 8.048 -1.468 1.00 0.00 N ATOM 977 CA ASP A 80 9.849 7.430 -0.665 1.00 0.00 C ATOM 978 C ASP A 80 9.397 6.030 -0.243 1.00 0.00 C ATOM 979 O ASP A 80 10.192 5.091 -0.241 1.00 0.00 O ATOM 980 CB ASP A 80 10.121 8.241 0.604 1.00 0.00 C ATOM 981 CG ASP A 80 11.396 7.856 1.356 1.00 0.00 C ATOM 982 OD1 ASP A 80 11.481 6.777 1.960 1.00 0.00 O ATOM 983 OD2 ASP A 80 12.344 8.731 1.306 1.00 0.00 O ATOM 0 H ASP A 80 8.325 8.823 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 80 10.757 7.386 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.179 9.296 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.272 8.129 1.278 1.00 0.00 H new ATOM 989 N LEU A 81 8.122 5.934 0.104 1.00 0.00 N ATOM 990 CA LEU A 81 7.555 4.665 0.527 1.00 0.00 C ATOM 991 C LEU A 81 7.585 3.682 -0.646 1.00 0.00 C ATOM 992 O LEU A 81 7.909 2.509 -0.468 1.00 0.00 O ATOM 993 CB LEU A 81 6.160 4.873 1.119 1.00 0.00 C ATOM 994 CG LEU A 81 5.055 5.234 0.124 1.00 0.00 C ATOM 995 CD1 LEU A 81 4.433 3.977 -0.485 1.00 0.00 C ATOM 996 CD2 LEU A 81 4.004 6.136 0.776 1.00 0.00 C ATOM 0 H LEU A 81 7.465 6.715 0.101 1.00 0.00 H new ATOM 0 HA LEU A 81 8.153 4.227 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.869 3.961 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.219 5.663 1.868 1.00 0.00 H new ATOM 0 HG LEU A 81 5.503 5.799 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.651 4.262 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.201 3.408 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.003 3.364 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.230 6.378 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.555 5.618 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.477 7.055 1.121 1.00 0.00 H new ATOM 1008 N ASP A 82 7.243 4.198 -1.817 1.00 0.00 N ATOM 1009 CA ASP A 82 7.227 3.380 -3.018 1.00 0.00 C ATOM 1010 C ASP A 82 8.658 2.969 -3.370 1.00 0.00 C ATOM 1011 O ASP A 82 8.869 2.003 -4.101 1.00 0.00 O ATOM 1012 CB ASP A 82 6.653 4.156 -4.205 1.00 0.00 C ATOM 1013 CG ASP A 82 5.893 3.308 -5.227 1.00 0.00 C ATOM 1014 OD1 ASP A 82 5.432 2.199 -4.919 1.00 0.00 O ATOM 1015 OD2 ASP A 82 5.782 3.835 -6.399 1.00 0.00 O ATOM 0 H ASP A 82 6.975 5.172 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 82 6.605 2.507 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.983 4.927 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.470 4.667 -4.715 1.00 0.00 H new ATOM 1021 N MET A 83 9.605 3.724 -2.832 1.00 0.00 N ATOM 1022 CA MET A 83 11.011 3.450 -3.079 1.00 0.00 C ATOM 1023 C MET A 83 11.640 2.705 -1.901 1.00 0.00 C ATOM 1024 O MET A 83 11.776 1.483 -1.935 1.00 0.00 O ATOM 1025 CB MET A 83 11.755 4.767 -3.308 1.00 0.00 C ATOM 1026 CG MET A 83 12.221 4.889 -4.760 1.00 0.00 C ATOM 1027 SD MET A 83 12.675 6.579 -5.116 1.00 0.00 S ATOM 1028 CE MET A 83 11.055 7.324 -5.202 1.00 0.00 C ATOM 0 H MET A 83 9.426 4.525 -2.226 1.00 0.00 H new ATOM 0 HA MET A 83 11.089 2.820 -3.965 1.00 0.00 H new ATOM 0 HB2 MET A 83 11.103 5.605 -3.060 1.00 0.00 H new ATOM 0 HB3 MET A 83 12.615 4.824 -2.641 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.072 4.231 -4.934 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.427 4.568 -5.434 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.001 7.978 -6.072 1.00 0.00 H new ATOM 0 HE2 MET A 83 10.299 6.543 -5.287 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.874 7.907 -4.299 1.00 0.00 H new ATOM 1038 N GLU A 84 12.008 3.473 -0.885 1.00 0.00 N ATOM 1039 CA GLU A 84 12.620 2.902 0.302 1.00 0.00 C ATOM 1040 C GLU A 84 11.643 1.952 0.998 1.00 0.00 C ATOM 1041 O GLU A 84 10.444 1.982 0.727 1.00 0.00 O ATOM 1042 CB GLU A 84 13.093 3.999 1.258 1.00 0.00 C ATOM 1043 CG GLU A 84 14.259 3.510 2.119 1.00 0.00 C ATOM 1044 CD GLU A 84 15.381 2.939 1.251 1.00 0.00 C ATOM 1045 OE1 GLU A 84 15.943 3.658 0.411 1.00 0.00 O ATOM 1046 OE2 GLU A 84 15.665 1.700 1.472 1.00 0.00 O ATOM 0 H GLU A 84 11.894 4.486 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 84 13.496 2.331 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.400 4.876 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.268 4.309 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.643 4.335 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.908 2.747 2.813 1.00 0.00 H new ATOM 1054 N ASP A 85 12.193 1.132 1.882 1.00 0.00 N ATOM 1055 CA ASP A 85 11.384 0.176 2.619 1.00 0.00 C ATOM 1056 C ASP A 85 11.853 0.133 4.075 1.00 0.00 C ATOM 1057 O ASP A 85 12.642 -0.733 4.451 1.00 0.00 O ATOM 1058 CB ASP A 85 11.527 -1.231 2.035 1.00 0.00 C ATOM 1059 CG ASP A 85 12.763 -1.446 1.159 1.00 0.00 C ATOM 1060 OD1 ASP A 85 13.629 -2.277 1.470 1.00 0.00 O ATOM 1061 OD2 ASP A 85 12.818 -0.707 0.103 1.00 0.00 O ATOM 0 H ASP A 85 13.188 1.110 2.104 1.00 0.00 H new ATOM 0 HA ASP A 85 10.343 0.491 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.553 -1.948 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.639 -1.455 1.445 1.00 0.00 H new ATOM 1067 N ASN A 86 11.349 1.078 4.854 1.00 0.00 N ATOM 1068 CA ASN A 86 11.706 1.159 6.260 1.00 0.00 C ATOM 1069 C ASN A 86 10.896 2.275 6.924 1.00 0.00 C ATOM 1070 O ASN A 86 11.284 3.441 6.874 1.00 0.00 O ATOM 1071 CB ASN A 86 13.191 1.485 6.433 1.00 0.00 C ATOM 1072 CG ASN A 86 13.929 0.332 7.115 1.00 0.00 C ATOM 1073 OD1 ASN A 86 13.405 -0.754 7.297 1.00 0.00 O ATOM 1074 ND2 ASN A 86 15.173 0.628 7.481 1.00 0.00 N ATOM 0 H ASN A 86 10.696 1.795 4.538 1.00 0.00 H new ATOM 0 HA ASN A 86 11.493 0.193 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.639 1.683 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.301 2.393 7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 86 15.749 -0.075 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.551 1.558 7.298 1.00 0.00 H new ATOM 1081 N ASP A 87 9.787 1.877 7.530 1.00 0.00 N ATOM 1082 CA ASP A 87 8.920 2.829 8.203 1.00 0.00 C ATOM 1083 C ASP A 87 9.404 3.025 9.641 1.00 0.00 C ATOM 1084 O ASP A 87 9.458 2.072 10.417 1.00 0.00 O ATOM 1085 CB ASP A 87 7.478 2.319 8.254 1.00 0.00 C ATOM 1086 CG ASP A 87 6.916 1.833 6.917 1.00 0.00 C ATOM 1087 OD1 ASP A 87 5.966 1.038 6.875 1.00 0.00 O ATOM 1088 OD2 ASP A 87 7.502 2.312 5.873 1.00 0.00 O ATOM 0 H ASP A 87 9.469 0.909 7.569 1.00 0.00 H new ATOM 0 HA ASP A 87 8.952 3.766 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.423 1.501 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.839 3.118 8.631 1.00 0.00 H new ATOM 1094 N ILE A 88 9.744 4.267 9.953 1.00 0.00 N ATOM 1095 CA ILE A 88 10.221 4.600 11.284 1.00 0.00 C ATOM 1096 C ILE A 88 10.057 6.103 11.518 1.00 0.00 C ATOM 1097 O ILE A 88 10.486 6.914 10.698 1.00 0.00 O ATOM 1098 CB ILE A 88 11.654 4.100 11.480 1.00 0.00 C ATOM 1099 CG1 ILE A 88 12.602 5.260 11.792 1.00 0.00 C ATOM 1100 CG2 ILE A 88 12.121 3.288 10.271 1.00 0.00 C ATOM 1101 CD1 ILE A 88 12.910 6.071 10.532 1.00 0.00 C ATOM 0 H ILE A 88 9.699 5.055 9.307 1.00 0.00 H new ATOM 0 HA ILE A 88 9.624 4.092 12.041 1.00 0.00 H new ATOM 0 HB ILE A 88 11.668 3.432 12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.154 5.908 12.545 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.529 4.873 12.215 1.00 0.00 H new ATOM 0 HG21 ILE A 88 13.142 2.945 10.436 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.466 2.427 10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.088 3.913 9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.586 6.889 10.782 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.380 5.426 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.984 6.477 10.125 1.00 0.00 H new ATOM 1113 N ILE A 89 9.436 6.430 12.642 1.00 0.00 N ATOM 1114 CA ILE A 89 9.210 7.822 12.995 1.00 0.00 C ATOM 1115 C ILE A 89 9.142 7.953 14.518 1.00 0.00 C ATOM 1116 O ILE A 89 9.137 6.950 15.231 1.00 0.00 O ATOM 1117 CB ILE A 89 7.973 8.363 12.275 1.00 0.00 C ATOM 1118 CG1 ILE A 89 7.733 7.617 10.961 1.00 0.00 C ATOM 1119 CG2 ILE A 89 8.079 9.875 12.065 1.00 0.00 C ATOM 1120 CD1 ILE A 89 6.401 8.031 10.331 1.00 0.00 C ATOM 0 H ILE A 89 9.082 5.755 13.320 1.00 0.00 H new ATOM 0 HA ILE A 89 10.042 8.440 12.659 1.00 0.00 H new ATOM 0 HB ILE A 89 7.104 8.186 12.909 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.548 7.824 10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.735 6.542 11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.187 10.234 11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.166 10.371 13.032 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.959 10.098 11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.255 7.486 9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.586 7.800 11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.412 9.102 10.128 1.00 0.00 H new ATOM 1132 N GLU A 90 9.092 9.197 14.971 1.00 0.00 N ATOM 1133 CA GLU A 90 9.024 9.471 16.396 1.00 0.00 C ATOM 1134 C GLU A 90 7.741 10.236 16.729 1.00 0.00 C ATOM 1135 O GLU A 90 7.361 11.160 16.012 1.00 0.00 O ATOM 1136 CB GLU A 90 10.260 10.243 16.865 1.00 0.00 C ATOM 1137 CG GLU A 90 9.963 11.027 18.145 1.00 0.00 C ATOM 1138 CD GLU A 90 11.205 11.114 19.034 1.00 0.00 C ATOM 1139 OE1 GLU A 90 11.377 10.286 19.941 1.00 0.00 O ATOM 1140 OE2 GLU A 90 12.008 12.084 18.756 1.00 0.00 O ATOM 0 H GLU A 90 9.097 10.026 14.377 1.00 0.00 H new ATOM 0 HA GLU A 90 9.006 8.520 16.929 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.082 9.549 17.042 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.584 10.928 16.082 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.622 12.031 17.890 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.153 10.545 18.692 1.00 0.00 H new ATOM 1148 N ALA A 91 7.110 9.822 17.818 1.00 0.00 N ATOM 1149 CA ALA A 91 5.877 10.456 18.255 1.00 0.00 C ATOM 1150 C ALA A 91 6.161 11.318 19.486 1.00 0.00 C ATOM 1151 O ALA A 91 6.269 10.802 20.598 1.00 0.00 O ATOM 1152 CB ALA A 91 4.819 9.384 18.524 1.00 0.00 C ATOM 0 H ALA A 91 7.429 9.056 18.411 1.00 0.00 H new ATOM 0 HA ALA A 91 5.485 11.112 17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.894 9.859 18.852 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.633 8.819 17.610 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.175 8.708 19.302 1.00 0.00 H new ATOM 1158 N HIS A 92 6.274 12.616 19.248 1.00 0.00 N ATOM 1159 CA HIS A 92 6.543 13.554 20.324 1.00 0.00 C ATOM 1160 C HIS A 92 5.246 13.860 21.075 1.00 0.00 C ATOM 1161 O HIS A 92 4.155 13.653 20.546 1.00 0.00 O ATOM 1162 CB HIS A 92 7.229 14.813 19.788 1.00 0.00 C ATOM 1163 CG HIS A 92 8.494 15.184 20.525 1.00 0.00 C ATOM 1164 ND1 HIS A 92 9.681 14.490 20.371 1.00 0.00 N ATOM 1165 CD2 HIS A 92 8.744 16.183 21.419 1.00 0.00 C ATOM 1166 CE1 HIS A 92 10.598 15.054 21.144 1.00 0.00 C ATOM 1167 NE2 HIS A 92 10.015 16.103 21.793 1.00 0.00 N ATOM 0 H HIS A 92 6.184 13.041 18.325 1.00 0.00 H new ATOM 0 HA HIS A 92 7.237 13.107 21.036 1.00 0.00 H new ATOM 0 HB2 HIS A 92 7.465 14.665 18.734 1.00 0.00 H new ATOM 0 HB3 HIS A 92 6.530 15.647 19.844 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.029 16.915 21.764 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.626 14.739 21.243 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.479 16.723 22.456 1.00 0.00 H new ATOM 1175 N ARG A 93 5.408 14.346 22.297 1.00 0.00 N ATOM 1176 CA ARG A 93 4.263 14.682 23.126 1.00 0.00 C ATOM 1177 C ARG A 93 3.982 16.184 23.060 1.00 0.00 C ATOM 1178 O ARG A 93 4.898 16.983 22.869 1.00 0.00 O ATOM 1179 CB ARG A 93 4.501 14.278 24.583 1.00 0.00 C ATOM 1180 CG ARG A 93 4.248 12.783 24.785 1.00 0.00 C ATOM 1181 CD ARG A 93 5.264 11.944 24.007 1.00 0.00 C ATOM 1182 NE ARG A 93 5.850 10.912 24.891 1.00 0.00 N ATOM 1183 CZ ARG A 93 5.127 9.995 25.568 1.00 0.00 C ATOM 1184 NH1 ARG A 93 3.781 9.975 25.469 1.00 0.00 N ATOM 1185 NH2 ARG A 93 5.756 9.119 26.330 1.00 0.00 N ATOM 0 H ARG A 93 6.315 14.515 22.733 1.00 0.00 H new ATOM 0 HA ARG A 93 3.404 14.131 22.743 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.525 14.519 24.868 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.844 14.853 25.236 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.308 12.541 25.846 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.239 12.534 24.457 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.779 11.471 23.153 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.051 12.586 23.611 1.00 0.00 H new ATOM 0 HE ARG A 93 6.864 10.892 24.995 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.303 10.656 24.879 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.242 9.279 25.984 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.773 9.142 26.400 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.225 8.419 26.848 1.00 0.00 H new ATOM 1198 N GLU A 94 2.712 16.524 23.222 1.00 0.00 N ATOM 1199 CA GLU A 94 2.299 17.917 23.183 1.00 0.00 C ATOM 1200 C GLU A 94 0.930 18.083 23.846 1.00 0.00 C ATOM 1201 O GLU A 94 -0.086 18.195 23.161 1.00 0.00 O ATOM 1202 CB GLU A 94 2.280 18.443 21.747 1.00 0.00 C ATOM 1203 CG GLU A 94 3.441 19.409 21.501 1.00 0.00 C ATOM 1204 CD GLU A 94 3.000 20.587 20.631 1.00 0.00 C ATOM 1205 OE1 GLU A 94 2.433 20.380 19.548 1.00 0.00 O ATOM 1206 OE2 GLU A 94 3.264 21.753 21.118 1.00 0.00 O ATOM 0 H GLU A 94 1.955 15.859 23.381 1.00 0.00 H new ATOM 0 HA GLU A 94 3.026 18.507 23.741 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.343 17.608 21.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.334 18.949 21.554 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.820 19.778 22.454 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.261 18.881 21.015 1.00 0.00 H new