USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 718 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 102 ASN : amide:sc= -0.282 K(o=0.3,f=-1.2) USER MOD Set 1.2: A 103 THR OG1 : rot -82:sc= 0.585 USER MOD Set 2.1: A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 SER OG : rot -77:sc= 0.623 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.092 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 8 SER OG : rot 27:sc= 0.444 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 36:sc= 0.474 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 29 SER OG : rot 52:sc= 0.305 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 42:sc= 0.599 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 48 ASN : amide:sc= -0.035 K(o=-0.035,f=-2.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0881 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.267 9.104 2.133 1.00 0.00 N ATOM 2 CA ALA A 1 -19.266 10.195 2.013 1.00 0.00 C ATOM 3 C ALA A 1 -19.438 10.922 0.682 1.00 0.00 C ATOM 4 O ALA A 1 -20.037 10.374 -0.231 1.00 0.00 O ATOM 5 CB ALA A 1 -17.848 9.611 2.068 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.939 9.331 2.893 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.781 9.005 1.235 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.782 8.211 2.355 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.416 10.892 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.119 10.417 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.704 9.094 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.712 8.907 1.247 1.00 0.00 H new ATOM 13 N SER A 2 -18.886 12.133 0.626 1.00 0.00 N ATOM 14 CA SER A 2 -18.952 13.004 -0.608 1.00 0.00 C ATOM 15 C SER A 2 -18.100 12.462 -1.757 1.00 0.00 C ATOM 16 O SER A 2 -18.476 12.584 -2.911 1.00 0.00 O ATOM 17 CB SER A 2 -18.419 14.399 -0.236 1.00 0.00 C ATOM 18 OG SER A 2 -17.242 14.151 0.522 1.00 0.00 O ATOM 0 H SER A 2 -18.383 12.557 1.405 1.00 0.00 H new ATOM 0 HA SER A 2 -19.989 13.030 -0.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.199 14.988 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.152 14.960 0.344 1.00 0.00 H new ATOM 0 HG SER A 2 -16.843 15.003 0.795 1.00 0.00 H new ATOM 24 N ALA A 3 -17.000 11.835 -1.380 1.00 0.00 N ATOM 25 CA ALA A 3 -16.020 11.226 -2.358 1.00 0.00 C ATOM 26 C ALA A 3 -16.549 9.932 -2.997 1.00 0.00 C ATOM 27 O ALA A 3 -17.579 9.415 -2.588 1.00 0.00 O ATOM 28 CB ALA A 3 -14.746 10.872 -1.574 1.00 0.00 C ATOM 0 H ALA A 3 -16.732 11.716 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.844 11.947 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.014 10.429 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.329 11.776 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.990 10.160 -0.786 1.00 0.00 H new ATOM 34 N ALA A 4 -15.808 9.466 -4.002 1.00 0.00 N ATOM 35 CA ALA A 4 -16.150 8.209 -4.763 1.00 0.00 C ATOM 36 C ALA A 4 -14.909 7.676 -5.484 1.00 0.00 C ATOM 37 O ALA A 4 -14.235 8.449 -6.149 1.00 0.00 O ATOM 38 CB ALA A 4 -17.203 8.546 -5.826 1.00 0.00 C ATOM 0 H ALA A 4 -14.958 9.925 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.522 7.461 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.459 7.645 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.097 8.939 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.803 9.294 -6.510 1.00 0.00 H new ATOM 44 N VAL A 5 -14.649 6.367 -5.285 1.00 0.00 N ATOM 45 CA VAL A 5 -13.484 5.601 -5.885 1.00 0.00 C ATOM 46 C VAL A 5 -14.162 4.355 -6.476 1.00 0.00 C ATOM 47 O VAL A 5 -15.166 3.908 -5.938 1.00 0.00 O ATOM 48 CB VAL A 5 -12.398 5.132 -4.769 1.00 0.00 C ATOM 49 CG1 VAL A 5 -10.961 4.784 -5.406 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.242 6.199 -3.598 1.00 0.00 C ATOM 0 H VAL A 5 -15.241 5.782 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.930 6.210 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.798 4.213 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.277 4.477 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.069 3.973 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.563 5.665 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.507 5.843 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.911 7.150 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.202 6.336 -3.100 1.00 0.00 H new ATOM 60 N SER A 6 -13.643 3.903 -7.607 1.00 0.00 N ATOM 61 CA SER A 6 -14.178 2.693 -8.328 1.00 0.00 C ATOM 62 C SER A 6 -13.119 2.136 -9.288 1.00 0.00 C ATOM 63 O SER A 6 -12.369 2.910 -9.858 1.00 0.00 O ATOM 64 CB SER A 6 -15.398 3.119 -9.162 1.00 0.00 C ATOM 65 OG SER A 6 -15.087 4.433 -9.603 1.00 0.00 O ATOM 0 H SER A 6 -12.846 4.339 -8.071 1.00 0.00 H new ATOM 0 HA SER A 6 -14.446 1.931 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.558 2.445 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.310 3.106 -8.566 1.00 0.00 H new ATOM 0 HG SER A 6 -15.824 4.778 -10.149 1.00 0.00 H new ATOM 71 N VAL A 7 -13.109 0.796 -9.391 1.00 0.00 N ATOM 72 CA VAL A 7 -12.167 -0.012 -10.269 1.00 0.00 C ATOM 73 C VAL A 7 -13.138 -0.805 -11.176 1.00 0.00 C ATOM 74 O VAL A 7 -14.203 -1.175 -10.699 1.00 0.00 O ATOM 75 CB VAL A 7 -11.268 -1.009 -9.356 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.020 -1.625 -10.157 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.777 -0.298 -8.010 1.00 0.00 C ATOM 0 H VAL A 7 -13.758 0.209 -8.867 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.460 0.595 -10.834 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.920 -1.839 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.454 -2.284 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.382 -2.193 -11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.375 -0.817 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.179 -0.998 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.174 0.575 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.643 0.013 -7.426 1.00 0.00 H new ATOM 87 N SER A 8 -12.760 -0.972 -12.458 1.00 0.00 N ATOM 88 CA SER A 8 -13.607 -1.727 -13.480 1.00 0.00 C ATOM 89 C SER A 8 -12.687 -2.234 -14.690 1.00 0.00 C ATOM 90 O SER A 8 -12.160 -1.341 -15.348 1.00 0.00 O ATOM 91 CB SER A 8 -14.622 -0.700 -14.058 1.00 0.00 C ATOM 92 OG SER A 8 -15.724 -0.748 -13.164 1.00 0.00 O ATOM 0 H SER A 8 -11.885 -0.608 -12.836 1.00 0.00 H new ATOM 0 HA SER A 8 -14.093 -2.583 -13.013 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.192 0.300 -14.104 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.921 -0.965 -15.072 1.00 0.00 H new ATOM 0 HG SER A 8 -15.415 -1.034 -12.279 1.00 0.00 H new ATOM 98 N PRO A 9 -12.390 -3.594 -14.987 1.00 0.00 N ATOM 99 CA PRO A 9 -12.766 -4.863 -14.226 1.00 0.00 C ATOM 100 C PRO A 9 -12.119 -4.915 -12.833 1.00 0.00 C ATOM 101 O PRO A 9 -11.068 -4.322 -12.650 1.00 0.00 O ATOM 102 CB PRO A 9 -12.204 -6.028 -15.060 1.00 0.00 C ATOM 103 CG PRO A 9 -11.555 -5.451 -16.324 1.00 0.00 C ATOM 104 CD PRO A 9 -11.638 -3.926 -16.252 1.00 0.00 C ATOM 0 HA PRO A 9 -13.846 -4.905 -14.086 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.472 -6.590 -14.481 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.001 -6.723 -15.326 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.516 -5.772 -16.398 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.066 -5.818 -17.214 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.642 -3.484 -16.238 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.152 -3.524 -17.125 1.00 0.00 H new ATOM 112 N ALA A 10 -12.810 -5.606 -11.904 1.00 0.00 N ATOM 113 CA ALA A 10 -12.358 -5.784 -10.455 1.00 0.00 C ATOM 114 C ALA A 10 -12.579 -7.209 -9.934 1.00 0.00 C ATOM 115 O ALA A 10 -12.121 -7.493 -8.838 1.00 0.00 O ATOM 116 CB ALA A 10 -13.236 -4.874 -9.571 1.00 0.00 C ATOM 0 H ALA A 10 -13.698 -6.066 -12.108 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.294 -5.549 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.936 -4.980 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.112 -3.836 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.282 -5.162 -9.678 1.00 0.00 H new ATOM 122 N THR A 11 -13.289 -8.040 -10.720 1.00 0.00 N ATOM 123 CA THR A 11 -13.604 -9.487 -10.352 1.00 0.00 C ATOM 124 C THR A 11 -13.305 -10.411 -11.541 1.00 0.00 C ATOM 125 O THR A 11 -13.347 -9.977 -12.683 1.00 0.00 O ATOM 126 CB THR A 11 -15.132 -9.642 -10.032 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.797 -9.296 -11.230 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.714 -8.628 -9.002 1.00 0.00 C ATOM 0 H THR A 11 -13.669 -7.759 -11.624 1.00 0.00 H new ATOM 0 HA THR A 11 -12.994 -9.751 -9.488 1.00 0.00 H new ATOM 0 HB THR A 11 -15.264 -10.649 -9.636 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.765 -9.373 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.776 -8.826 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.191 -8.734 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.583 -7.613 -9.377 1.00 0.00 H new ATOM 136 N GLY A 12 -12.966 -11.659 -11.208 1.00 0.00 N ATOM 137 CA GLY A 12 -12.637 -12.721 -12.236 1.00 0.00 C ATOM 138 C GLY A 12 -11.294 -12.466 -12.933 1.00 0.00 C ATOM 139 O GLY A 12 -11.133 -12.844 -14.084 1.00 0.00 O ATOM 0 H GLY A 12 -12.905 -11.985 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.612 -13.697 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.430 -12.757 -12.983 1.00 0.00 H new ATOM 143 N LEU A 13 -10.377 -11.867 -12.185 1.00 0.00 N ATOM 144 CA LEU A 13 -8.994 -11.530 -12.695 1.00 0.00 C ATOM 145 C LEU A 13 -8.138 -12.811 -12.804 1.00 0.00 C ATOM 146 O LEU A 13 -8.410 -13.780 -12.111 1.00 0.00 O ATOM 147 CB LEU A 13 -8.284 -10.564 -11.660 1.00 0.00 C ATOM 148 CG LEU A 13 -9.078 -9.196 -11.212 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.139 -8.291 -10.278 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.645 -8.334 -12.433 1.00 0.00 C ATOM 0 H LEU A 13 -10.537 -11.591 -11.216 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.087 -11.060 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.073 -11.138 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.323 -10.269 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.954 -9.529 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.676 -7.388 -9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.865 -8.853 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.237 -8.017 -10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.154 -7.450 -12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.820 -8.027 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.348 -8.936 -13.008 1.00 0.00 H new ATOM 162 N ALA A 14 -7.149 -12.742 -13.718 1.00 0.00 N ATOM 163 CA ALA A 14 -6.160 -13.850 -14.031 1.00 0.00 C ATOM 164 C ALA A 14 -4.742 -13.248 -14.040 1.00 0.00 C ATOM 165 O ALA A 14 -4.589 -12.100 -13.665 1.00 0.00 O ATOM 166 CB ALA A 14 -6.513 -14.388 -15.442 1.00 0.00 C ATOM 0 H ALA A 14 -6.993 -11.907 -14.283 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.203 -14.653 -13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.824 -15.190 -15.709 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.533 -14.772 -15.440 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.430 -13.581 -16.170 1.00 0.00 H new ATOM 172 N ASP A 15 -3.755 -14.058 -14.423 1.00 0.00 N ATOM 173 CA ASP A 15 -2.310 -13.615 -14.484 1.00 0.00 C ATOM 174 C ASP A 15 -2.069 -12.542 -15.573 1.00 0.00 C ATOM 175 O ASP A 15 -2.484 -12.730 -16.705 1.00 0.00 O ATOM 176 CB ASP A 15 -1.479 -14.867 -14.840 1.00 0.00 C ATOM 177 CG ASP A 15 -0.073 -14.474 -15.315 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.664 -13.972 -14.480 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.191 -14.713 -16.484 1.00 0.00 O ATOM 0 H ASP A 15 -3.901 -15.028 -14.701 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.030 -13.176 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.404 -15.519 -13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.985 -15.435 -15.620 1.00 0.00 H new ATOM 184 N GLY A 16 -1.424 -11.438 -15.171 1.00 0.00 N ATOM 185 CA GLY A 16 -1.105 -10.291 -16.106 1.00 0.00 C ATOM 186 C GLY A 16 -2.354 -9.491 -16.516 1.00 0.00 C ATOM 187 O GLY A 16 -2.358 -8.906 -17.589 1.00 0.00 O ATOM 0 H GLY A 16 -1.104 -11.292 -14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.393 -9.622 -15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.619 -10.682 -17.000 1.00 0.00 H new ATOM 191 N ALA A 17 -3.353 -9.473 -15.633 1.00 0.00 N ATOM 192 CA ALA A 17 -4.642 -8.730 -15.895 1.00 0.00 C ATOM 193 C ALA A 17 -4.473 -7.206 -15.810 1.00 0.00 C ATOM 194 O ALA A 17 -3.993 -6.713 -14.802 1.00 0.00 O ATOM 195 CB ALA A 17 -5.655 -9.126 -14.814 1.00 0.00 C ATOM 0 H ALA A 17 -3.321 -9.951 -14.732 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.968 -8.991 -16.902 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.594 -8.600 -14.985 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.829 -10.201 -14.855 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.263 -8.859 -13.833 1.00 0.00 H new ATOM 201 N THR A 18 -4.911 -6.522 -16.871 1.00 0.00 N ATOM 202 CA THR A 18 -4.836 -5.021 -16.982 1.00 0.00 C ATOM 203 C THR A 18 -6.109 -4.463 -16.327 1.00 0.00 C ATOM 204 O THR A 18 -7.184 -4.966 -16.621 1.00 0.00 O ATOM 205 CB THR A 18 -4.816 -4.704 -18.517 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.535 -5.129 -18.941 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.837 -3.190 -18.931 1.00 0.00 C ATOM 0 H THR A 18 -5.330 -6.970 -17.686 1.00 0.00 H new ATOM 0 HA THR A 18 -3.962 -4.586 -16.498 1.00 0.00 H new ATOM 0 HB THR A 18 -5.706 -5.172 -18.938 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.438 -4.966 -19.903 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.820 -3.110 -20.018 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.742 -2.720 -18.546 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.963 -2.687 -18.517 1.00 0.00 H new ATOM 215 N VAL A 19 -5.923 -3.486 -15.421 1.00 0.00 N ATOM 216 CA VAL A 19 -7.058 -2.800 -14.659 1.00 0.00 C ATOM 217 C VAL A 19 -6.849 -1.271 -14.716 1.00 0.00 C ATOM 218 O VAL A 19 -5.713 -0.823 -14.661 1.00 0.00 O ATOM 219 CB VAL A 19 -7.160 -3.348 -13.136 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.460 -4.916 -13.103 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.882 -2.992 -12.227 1.00 0.00 C ATOM 0 H VAL A 19 -4.999 -3.130 -15.176 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.011 -3.038 -15.132 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.002 -2.817 -12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.522 -5.253 -12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.405 -5.116 -13.608 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.657 -5.451 -13.611 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.026 -3.392 -11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.988 -3.432 -12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.765 -1.910 -12.172 1.00 0.00 H new ATOM 231 N THR A 20 -7.990 -0.550 -14.819 1.00 0.00 N ATOM 232 CA THR A 20 -8.059 0.965 -14.899 1.00 0.00 C ATOM 233 C THR A 20 -8.684 1.553 -13.608 1.00 0.00 C ATOM 234 O THR A 20 -9.897 1.544 -13.457 1.00 0.00 O ATOM 235 CB THR A 20 -8.969 1.245 -16.154 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.142 0.899 -17.249 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.338 2.739 -16.468 1.00 0.00 C ATOM 0 H THR A 20 -8.910 -0.990 -14.851 1.00 0.00 H new ATOM 0 HA THR A 20 -7.076 1.428 -14.992 1.00 0.00 H new ATOM 0 HB THR A 20 -9.903 0.712 -15.976 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.631 1.041 -18.086 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.967 2.779 -17.357 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.877 3.166 -15.622 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.426 3.310 -16.643 1.00 0.00 H new ATOM 245 N VAL A 21 -7.812 2.075 -12.742 1.00 0.00 N ATOM 246 CA VAL A 21 -8.232 2.701 -11.423 1.00 0.00 C ATOM 247 C VAL A 21 -8.717 4.117 -11.797 1.00 0.00 C ATOM 248 O VAL A 21 -8.221 4.671 -12.768 1.00 0.00 O ATOM 249 CB VAL A 21 -6.927 2.724 -10.454 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.038 3.735 -9.204 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.587 1.249 -9.947 1.00 0.00 C ATOM 0 H VAL A 21 -6.805 2.091 -12.903 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.020 2.166 -10.893 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.113 3.108 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.124 3.684 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.178 4.752 -9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.888 3.453 -8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.711 1.280 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.436 0.851 -9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.382 0.608 -10.804 1.00 0.00 H new ATOM 261 N SER A 22 -9.687 4.622 -11.017 1.00 0.00 N ATOM 262 CA SER A 22 -10.300 5.998 -11.215 1.00 0.00 C ATOM 263 C SER A 22 -10.545 6.665 -9.863 1.00 0.00 C ATOM 264 O SER A 22 -10.466 6.014 -8.832 1.00 0.00 O ATOM 265 CB SER A 22 -11.671 5.857 -11.913 1.00 0.00 C ATOM 266 OG SER A 22 -12.589 5.676 -10.847 1.00 0.00 O ATOM 0 H SER A 22 -10.084 4.112 -10.228 1.00 0.00 H new ATOM 0 HA SER A 22 -9.614 6.595 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.912 6.744 -12.499 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.684 5.009 -12.598 1.00 0.00 H new ATOM 0 HG SER A 22 -12.524 4.757 -10.512 1.00 0.00 H new ATOM 272 N ALA A 23 -10.764 7.972 -9.935 1.00 0.00 N ATOM 273 CA ALA A 23 -11.033 8.836 -8.731 1.00 0.00 C ATOM 274 C ALA A 23 -11.709 10.123 -9.205 1.00 0.00 C ATOM 275 O ALA A 23 -11.416 10.574 -10.301 1.00 0.00 O ATOM 276 CB ALA A 23 -9.701 9.177 -8.031 1.00 0.00 C ATOM 0 H ALA A 23 -10.766 8.488 -10.815 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.678 8.310 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.897 9.802 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.211 8.257 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.053 9.713 -8.724 1.00 0.00 H new ATOM 282 N SER A 24 -12.623 10.642 -8.375 1.00 0.00 N ATOM 283 CA SER A 24 -13.388 11.911 -8.689 1.00 0.00 C ATOM 284 C SER A 24 -13.934 12.509 -7.391 1.00 0.00 C ATOM 285 O SER A 24 -14.267 11.763 -6.482 1.00 0.00 O ATOM 286 CB SER A 24 -14.581 11.557 -9.601 1.00 0.00 C ATOM 287 OG SER A 24 -14.069 11.679 -10.919 1.00 0.00 O ATOM 0 H SER A 24 -12.868 10.223 -7.478 1.00 0.00 H new ATOM 0 HA SER A 24 -12.727 12.626 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.943 10.547 -9.408 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.420 12.233 -9.437 1.00 0.00 H new ATOM 0 HG SER A 24 -13.135 11.382 -10.936 1.00 0.00 H new ATOM 293 N GLY A 25 -13.999 13.843 -7.353 1.00 0.00 N ATOM 294 CA GLY A 25 -14.511 14.597 -6.151 1.00 0.00 C ATOM 295 C GLY A 25 -13.513 14.516 -4.989 1.00 0.00 C ATOM 296 O GLY A 25 -13.607 13.609 -4.182 1.00 0.00 O ATOM 0 H GLY A 25 -13.710 14.443 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.682 15.640 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.471 14.185 -5.840 1.00 0.00 H new ATOM 300 N PHE A 26 -12.590 15.477 -4.975 1.00 0.00 N ATOM 301 CA PHE A 26 -11.513 15.585 -3.922 1.00 0.00 C ATOM 302 C PHE A 26 -11.077 17.056 -3.846 1.00 0.00 C ATOM 303 O PHE A 26 -11.292 17.795 -4.789 1.00 0.00 O ATOM 304 CB PHE A 26 -10.300 14.696 -4.375 1.00 0.00 C ATOM 305 CG PHE A 26 -10.378 13.201 -3.806 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.977 12.897 -2.477 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.769 12.097 -4.616 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.959 11.598 -2.018 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.738 10.810 -4.117 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.337 10.564 -2.830 1.00 0.00 C ATOM 0 H PHE A 26 -12.545 16.213 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.870 15.252 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.266 14.664 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.372 15.159 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.681 13.698 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.093 12.268 -5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.643 11.394 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.034 9.986 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.319 9.551 -2.456 1.00 0.00 H new ATOM 320 N ALA A 27 -10.541 17.437 -2.684 1.00 0.00 N ATOM 321 CA ALA A 27 -10.053 18.850 -2.419 1.00 0.00 C ATOM 322 C ALA A 27 -9.066 18.879 -1.235 1.00 0.00 C ATOM 323 O ALA A 27 -8.239 19.780 -1.164 1.00 0.00 O ATOM 324 CB ALA A 27 -11.281 19.731 -2.079 1.00 0.00 C ATOM 0 H ALA A 27 -10.421 16.806 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.537 19.223 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.953 20.752 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.976 19.726 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.779 19.335 -1.194 1.00 0.00 H new ATOM 330 N THR A 28 -9.110 17.829 -0.413 1.00 0.00 N ATOM 331 CA THR A 28 -8.210 17.707 0.797 1.00 0.00 C ATOM 332 C THR A 28 -6.810 17.234 0.373 1.00 0.00 C ATOM 333 O THR A 28 -5.836 17.870 0.747 1.00 0.00 O ATOM 334 CB THR A 28 -8.799 16.623 1.756 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.386 15.635 0.928 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.989 17.102 2.642 1.00 0.00 C ATOM 0 H THR A 28 -9.746 17.041 -0.539 1.00 0.00 H new ATOM 0 HA THR A 28 -8.145 18.680 1.285 1.00 0.00 H new ATOM 0 HB THR A 28 -7.978 16.312 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.771 14.927 1.486 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.328 16.279 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.664 17.931 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.809 17.431 2.003 1.00 0.00 H new ATOM 344 N SER A 29 -6.761 16.144 -0.398 1.00 0.00 N ATOM 345 CA SER A 29 -5.452 15.565 -0.895 1.00 0.00 C ATOM 346 C SER A 29 -4.812 16.482 -1.967 1.00 0.00 C ATOM 347 O SER A 29 -5.410 16.697 -3.011 1.00 0.00 O ATOM 348 CB SER A 29 -5.745 14.197 -1.539 1.00 0.00 C ATOM 349 OG SER A 29 -6.943 14.365 -2.282 1.00 0.00 O ATOM 0 H SER A 29 -7.587 15.630 -0.704 1.00 0.00 H new ATOM 0 HA SER A 29 -4.764 15.473 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.925 13.886 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.862 13.425 -0.779 1.00 0.00 H new ATOM 0 HG SER A 29 -6.855 15.142 -2.873 1.00 0.00 H new ATOM 355 N THR A 30 -3.597 16.963 -1.678 1.00 0.00 N ATOM 356 CA THR A 30 -2.825 17.881 -2.617 1.00 0.00 C ATOM 357 C THR A 30 -2.123 17.117 -3.763 1.00 0.00 C ATOM 358 O THR A 30 -1.807 17.703 -4.786 1.00 0.00 O ATOM 359 CB THR A 30 -1.786 18.690 -1.748 1.00 0.00 C ATOM 360 OG1 THR A 30 -1.170 19.586 -2.652 1.00 0.00 O ATOM 361 CG2 THR A 30 -0.570 17.899 -1.144 1.00 0.00 C ATOM 0 H THR A 30 -3.102 16.750 -0.812 1.00 0.00 H new ATOM 0 HA THR A 30 -3.525 18.556 -3.109 1.00 0.00 H new ATOM 0 HB THR A 30 -2.359 19.088 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.507 20.127 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.059 18.581 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.939 17.110 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.014 17.457 -1.951 1.00 0.00 H new ATOM 369 N SER A 31 -1.943 15.824 -3.536 1.00 0.00 N ATOM 370 CA SER A 31 -1.279 14.876 -4.506 1.00 0.00 C ATOM 371 C SER A 31 -1.569 13.446 -4.037 1.00 0.00 C ATOM 372 O SER A 31 -1.759 13.253 -2.847 1.00 0.00 O ATOM 373 CB SER A 31 0.263 15.088 -4.470 1.00 0.00 C ATOM 374 OG SER A 31 0.519 16.099 -5.432 1.00 0.00 O ATOM 0 H SER A 31 -2.246 15.370 -2.674 1.00 0.00 H new ATOM 0 HA SER A 31 -1.654 15.052 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.596 15.394 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.793 14.168 -4.714 1.00 0.00 H new ATOM 0 HG SER A 31 -0.167 16.796 -5.364 1.00 0.00 H new ATOM 380 N ALA A 32 -1.634 12.510 -5.004 1.00 0.00 N ATOM 381 CA ALA A 32 -1.912 11.036 -4.736 1.00 0.00 C ATOM 382 C ALA A 32 -1.052 10.158 -5.646 1.00 0.00 C ATOM 383 O ALA A 32 -0.528 10.642 -6.637 1.00 0.00 O ATOM 384 CB ALA A 32 -3.393 10.740 -5.067 1.00 0.00 C ATOM 0 H ALA A 32 -1.500 12.724 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.686 10.822 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.604 9.687 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.036 11.357 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.584 10.967 -6.116 1.00 0.00 H new ATOM 390 N THR A 33 -0.905 8.895 -5.219 1.00 0.00 N ATOM 391 CA THR A 33 -0.104 7.827 -5.940 1.00 0.00 C ATOM 392 C THR A 33 -0.771 6.485 -5.573 1.00 0.00 C ATOM 393 O THR A 33 -0.959 6.208 -4.397 1.00 0.00 O ATOM 394 CB THR A 33 1.379 7.874 -5.413 1.00 0.00 C ATOM 395 OG1 THR A 33 1.935 9.058 -5.946 1.00 0.00 O ATOM 396 CG2 THR A 33 2.361 6.779 -5.956 1.00 0.00 C ATOM 0 H THR A 33 -1.333 8.557 -4.357 1.00 0.00 H new ATOM 0 HA THR A 33 -0.085 7.967 -7.021 1.00 0.00 H new ATOM 0 HB THR A 33 1.299 7.762 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.865 9.145 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.347 6.924 -5.515 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.987 5.790 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.433 6.860 -7.041 1.00 0.00 H new ATOM 404 N ALA A 34 -1.063 5.687 -6.592 1.00 0.00 N ATOM 405 CA ALA A 34 -1.729 4.334 -6.395 1.00 0.00 C ATOM 406 C ALA A 34 -0.734 3.266 -5.900 1.00 0.00 C ATOM 407 O ALA A 34 0.270 3.050 -6.563 1.00 0.00 O ATOM 408 CB ALA A 34 -2.262 3.881 -7.768 1.00 0.00 C ATOM 0 H ALA A 34 -0.866 5.918 -7.566 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.516 4.438 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.748 2.911 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.982 4.611 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.433 3.800 -8.471 1.00 0.00 H new ATOM 414 N LEU A 35 -1.041 2.670 -4.723 1.00 0.00 N ATOM 415 CA LEU A 35 -0.187 1.588 -4.058 1.00 0.00 C ATOM 416 C LEU A 35 -1.052 0.356 -3.699 1.00 0.00 C ATOM 417 O LEU A 35 -2.223 0.517 -3.404 1.00 0.00 O ATOM 418 CB LEU A 35 0.296 2.169 -2.680 1.00 0.00 C ATOM 419 CG LEU A 35 1.573 3.172 -2.763 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.470 4.334 -1.673 1.00 0.00 C ATOM 421 CD2 LEU A 35 2.973 2.404 -2.665 1.00 0.00 C ATOM 0 H LEU A 35 -1.878 2.906 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 35 0.622 1.308 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.535 2.701 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.549 1.338 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 35 1.542 3.631 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.339 4.987 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.563 4.913 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.438 3.895 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.788 3.125 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.030 1.871 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.056 1.692 -3.486 1.00 0.00 H new ATOM 433 N GLN A 36 -0.413 -0.826 -3.790 1.00 0.00 N ATOM 434 CA GLN A 36 -1.011 -2.183 -3.488 1.00 0.00 C ATOM 435 C GLN A 36 0.066 -2.863 -2.615 1.00 0.00 C ATOM 436 O GLN A 36 1.223 -2.821 -3.002 1.00 0.00 O ATOM 437 CB GLN A 36 -1.199 -2.912 -4.881 1.00 0.00 C ATOM 438 CG GLN A 36 -1.677 -4.409 -4.827 1.00 0.00 C ATOM 439 CD GLN A 36 -0.497 -5.394 -4.949 1.00 0.00 C ATOM 440 OE1 GLN A 36 0.065 -5.831 -3.965 1.00 0.00 O ATOM 441 NE2 GLN A 36 -0.107 -5.778 -6.129 1.00 0.00 N ATOM 0 H GLN A 36 0.562 -0.888 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.975 -2.179 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.920 -2.344 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.250 -2.875 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.204 -4.588 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.388 -4.592 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.572 -5.417 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.664 -6.440 -6.221 1.00 0.00 H new ATOM 450 N CYS A 37 -0.334 -3.401 -1.442 1.00 0.00 N ATOM 451 CA CYS A 37 0.631 -4.102 -0.482 1.00 0.00 C ATOM 452 C CYS A 37 -0.006 -5.381 0.104 1.00 0.00 C ATOM 453 O CYS A 37 -1.192 -5.383 0.400 1.00 0.00 O ATOM 454 CB CYS A 37 0.983 -3.140 0.694 1.00 0.00 C ATOM 455 SG CYS A 37 1.710 -1.516 0.313 1.00 0.00 S ATOM 0 H CYS A 37 -1.300 -3.379 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 37 1.528 -4.373 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.070 -2.967 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.675 -3.664 1.353 1.00 0.00 H new ATOM 460 N ALA A 38 0.839 -6.420 0.271 1.00 0.00 N ATOM 461 CA ALA A 38 0.418 -7.769 0.827 1.00 0.00 C ATOM 462 C ALA A 38 0.526 -7.796 2.366 1.00 0.00 C ATOM 463 O ALA A 38 1.625 -7.681 2.894 1.00 0.00 O ATOM 464 CB ALA A 38 1.384 -8.822 0.233 1.00 0.00 C ATOM 0 H ALA A 38 1.830 -6.371 0.033 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.620 -7.972 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.118 -9.811 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.309 -8.812 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.406 -8.585 0.528 1.00 0.00 H new ATOM 470 N ILE A 39 -0.630 -7.959 3.032 1.00 0.00 N ATOM 471 CA ILE A 39 -0.709 -8.008 4.551 1.00 0.00 C ATOM 472 C ILE A 39 -0.278 -9.436 4.991 1.00 0.00 C ATOM 473 O ILE A 39 -0.894 -10.398 4.575 1.00 0.00 O ATOM 474 CB ILE A 39 -2.237 -7.659 5.007 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.704 -6.156 4.601 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.531 -7.994 6.574 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.234 -4.958 5.507 1.00 0.00 C ATOM 0 H ILE A 39 -1.533 -8.061 2.569 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.051 -7.279 5.024 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.864 -8.336 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.355 -5.962 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.794 -6.143 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.564 -7.739 6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.368 -9.056 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.859 -7.411 7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.626 -4.023 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.605 -5.102 6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.145 -4.918 5.521 1.00 0.00 H new ATOM 489 N LEU A 40 0.766 -9.491 5.829 1.00 0.00 N ATOM 490 CA LEU A 40 1.355 -10.781 6.392 1.00 0.00 C ATOM 491 C LEU A 40 0.799 -10.906 7.832 1.00 0.00 C ATOM 492 O LEU A 40 -0.051 -10.104 8.192 1.00 0.00 O ATOM 493 CB LEU A 40 2.938 -10.641 6.471 1.00 0.00 C ATOM 494 CG LEU A 40 3.719 -10.086 5.153 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.308 -10.155 5.372 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.309 -10.837 3.798 1.00 0.00 C ATOM 0 H LEU A 40 1.250 -8.655 6.156 1.00 0.00 H new ATOM 0 HA LEU A 40 1.102 -11.643 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.174 -9.979 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.349 -11.620 6.716 1.00 0.00 H new ATOM 0 HG LEU A 40 3.409 -9.048 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.814 -9.781 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.584 -9.543 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.606 -11.188 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.869 -10.414 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.537 -11.899 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.241 -10.709 3.620 1.00 0.00 H new ATOM 508 N ALA A 41 1.269 -11.913 8.587 1.00 0.00 N ATOM 509 CA ALA A 41 0.814 -12.149 10.012 1.00 0.00 C ATOM 510 C ALA A 41 1.257 -10.998 10.924 1.00 0.00 C ATOM 511 O ALA A 41 0.459 -10.490 11.694 1.00 0.00 O ATOM 512 CB ALA A 41 1.470 -13.445 10.517 1.00 0.00 C ATOM 0 H ALA A 41 1.961 -12.586 8.257 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.274 -12.217 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.156 -13.636 11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.165 -14.278 9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.555 -13.341 10.482 1.00 0.00 H new ATOM 518 N ASP A 42 2.520 -10.602 10.745 1.00 0.00 N ATOM 519 CA ASP A 42 3.151 -9.470 11.547 1.00 0.00 C ATOM 520 C ASP A 42 2.616 -8.088 11.071 1.00 0.00 C ATOM 521 O ASP A 42 2.676 -7.120 11.819 1.00 0.00 O ATOM 522 CB ASP A 42 4.704 -9.534 11.410 1.00 0.00 C ATOM 523 CG ASP A 42 5.144 -9.923 9.998 1.00 0.00 C ATOM 524 OD1 ASP A 42 5.092 -9.054 9.161 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.508 -11.076 9.844 1.00 0.00 O ATOM 0 H ASP A 42 3.149 -11.026 10.063 1.00 0.00 H new ATOM 0 HA ASP A 42 2.880 -9.589 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.130 -8.564 11.667 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.101 -10.256 12.124 1.00 0.00 H new ATOM 530 N GLY A 43 2.098 -8.055 9.835 1.00 0.00 N ATOM 531 CA GLY A 43 1.522 -6.805 9.207 1.00 0.00 C ATOM 532 C GLY A 43 2.551 -5.795 8.670 1.00 0.00 C ATOM 533 O GLY A 43 2.214 -4.620 8.617 1.00 0.00 O ATOM 0 H GLY A 43 2.055 -8.873 9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.868 -7.101 8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.899 -6.303 9.947 1.00 0.00 H new ATOM 537 N ARG A 44 3.749 -6.269 8.288 1.00 0.00 N ATOM 538 CA ARG A 44 4.837 -5.351 7.733 1.00 0.00 C ATOM 539 C ARG A 44 4.413 -4.938 6.311 1.00 0.00 C ATOM 540 O ARG A 44 3.808 -5.737 5.617 1.00 0.00 O ATOM 541 CB ARG A 44 6.191 -6.126 7.627 1.00 0.00 C ATOM 542 CG ARG A 44 6.914 -6.353 9.025 1.00 0.00 C ATOM 543 CD ARG A 44 7.956 -5.259 9.427 1.00 0.00 C ATOM 544 NE ARG A 44 8.259 -5.437 10.874 1.00 0.00 N ATOM 545 CZ ARG A 44 8.114 -4.427 11.689 1.00 0.00 C ATOM 546 NH1 ARG A 44 6.957 -4.244 12.266 1.00 0.00 N ATOM 547 NH2 ARG A 44 9.130 -3.637 11.901 1.00 0.00 N ATOM 0 H ARG A 44 4.014 -7.253 8.339 1.00 0.00 H new ATOM 0 HA ARG A 44 4.964 -4.488 8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.009 -7.095 7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.862 -5.577 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.153 -6.409 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.418 -7.319 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.863 -5.357 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.557 -4.262 9.239 1.00 0.00 H new ATOM 0 HE ARG A 44 8.577 -6.340 11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.186 -4.884 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.824 -3.461 12.906 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.019 -3.813 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.035 -2.843 12.534 1.00 0.00 H new ATOM 561 N GLY A 45 4.760 -3.716 5.931 1.00 0.00 N ATOM 562 CA GLY A 45 4.411 -3.150 4.570 1.00 0.00 C ATOM 563 C GLY A 45 5.225 -3.704 3.382 1.00 0.00 C ATOM 564 O GLY A 45 6.053 -2.973 2.861 1.00 0.00 O ATOM 0 H GLY A 45 5.284 -3.072 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.354 -3.337 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.542 -2.068 4.603 1.00 0.00 H new ATOM 568 N ALA A 46 4.926 -4.943 2.963 1.00 0.00 N ATOM 569 CA ALA A 46 5.642 -5.603 1.802 1.00 0.00 C ATOM 570 C ALA A 46 4.935 -5.110 0.534 1.00 0.00 C ATOM 571 O ALA A 46 3.867 -5.600 0.221 1.00 0.00 O ATOM 572 CB ALA A 46 5.503 -7.139 1.960 1.00 0.00 C ATOM 0 H ALA A 46 4.204 -5.523 3.390 1.00 0.00 H new ATOM 0 HA ALA A 46 6.704 -5.361 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.011 -7.637 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.952 -7.450 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.448 -7.411 1.954 1.00 0.00 H new ATOM 578 N CYS A 47 5.531 -4.076 -0.108 1.00 0.00 N ATOM 579 CA CYS A 47 4.964 -3.447 -1.379 1.00 0.00 C ATOM 580 C CYS A 47 6.038 -3.280 -2.459 1.00 0.00 C ATOM 581 O CYS A 47 7.182 -2.991 -2.142 1.00 0.00 O ATOM 582 CB CYS A 47 4.397 -2.028 -1.025 1.00 0.00 C ATOM 583 SG CYS A 47 3.692 -1.737 0.626 1.00 0.00 S ATOM 0 H CYS A 47 6.399 -3.645 0.211 1.00 0.00 H new ATOM 0 HA CYS A 47 4.186 -4.106 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.203 -1.308 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.625 -1.792 -1.757 1.00 0.00 H new ATOM 588 N ASN A 48 5.606 -3.492 -3.714 1.00 0.00 N ATOM 589 CA ASN A 48 6.503 -3.377 -4.925 1.00 0.00 C ATOM 590 C ASN A 48 6.537 -1.899 -5.384 1.00 0.00 C ATOM 591 O ASN A 48 5.513 -1.352 -5.773 1.00 0.00 O ATOM 592 CB ASN A 48 5.906 -4.280 -6.027 1.00 0.00 C ATOM 593 CG ASN A 48 6.579 -3.992 -7.373 1.00 0.00 C ATOM 594 OD1 ASN A 48 6.005 -3.379 -8.244 1.00 0.00 O ATOM 595 ND2 ASN A 48 7.791 -4.427 -7.586 1.00 0.00 N ATOM 0 H ASN A 48 4.644 -3.745 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 48 7.523 -3.690 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.043 -5.328 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.832 -4.108 -6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.247 -4.249 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.282 -4.945 -6.857 1.00 0.00 H new ATOM 602 N VAL A 49 7.726 -1.304 -5.307 1.00 0.00 N ATOM 603 CA VAL A 49 7.964 0.148 -5.706 1.00 0.00 C ATOM 604 C VAL A 49 7.769 0.472 -7.225 1.00 0.00 C ATOM 605 O VAL A 49 7.443 1.597 -7.538 1.00 0.00 O ATOM 606 CB VAL A 49 9.460 0.582 -5.246 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.504 0.990 -3.700 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.580 -0.518 -5.587 1.00 0.00 C ATOM 0 H VAL A 49 8.565 -1.779 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 49 7.193 0.724 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 49 9.708 1.461 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.520 1.274 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.833 1.831 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.189 0.143 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.554 -0.161 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.340 -1.451 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.607 -0.689 -6.663 1.00 0.00 H new ATOM 618 N ALA A 50 7.899 -0.525 -8.095 1.00 0.00 N ATOM 619 CA ALA A 50 7.741 -0.319 -9.605 1.00 0.00 C ATOM 620 C ALA A 50 6.320 0.007 -10.145 1.00 0.00 C ATOM 621 O ALA A 50 6.235 0.447 -11.280 1.00 0.00 O ATOM 622 CB ALA A 50 8.187 -1.615 -10.306 1.00 0.00 C ATOM 0 H ALA A 50 8.110 -1.486 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 50 8.342 0.565 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.086 -1.498 -11.385 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.228 -1.822 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.563 -2.443 -9.970 1.00 0.00 H new ATOM 628 N GLU A 51 5.272 -0.150 -9.323 1.00 0.00 N ATOM 629 CA GLU A 51 3.823 0.138 -9.762 1.00 0.00 C ATOM 630 C GLU A 51 3.441 1.647 -9.745 1.00 0.00 C ATOM 631 O GLU A 51 2.397 2.009 -10.284 1.00 0.00 O ATOM 632 CB GLU A 51 2.866 -0.647 -8.760 1.00 0.00 C ATOM 633 CG GLU A 51 2.516 -2.096 -9.224 1.00 0.00 C ATOM 634 CD GLU A 51 1.674 -2.766 -8.137 1.00 0.00 C ATOM 635 OE1 GLU A 51 0.467 -2.620 -8.234 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.276 -3.392 -7.284 1.00 0.00 O ATOM 0 H GLU A 51 5.357 -0.468 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 51 3.718 -0.186 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.342 -0.695 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.942 -0.082 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.967 -2.070 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.427 -2.667 -9.402 1.00 0.00 H new ATOM 643 N PHE A 52 4.332 2.483 -9.225 1.00 0.00 N ATOM 644 CA PHE A 52 4.095 3.993 -9.136 1.00 0.00 C ATOM 645 C PHE A 52 3.969 4.727 -10.497 1.00 0.00 C ATOM 646 O PHE A 52 4.373 4.191 -11.521 1.00 0.00 O ATOM 647 CB PHE A 52 5.270 4.617 -8.314 1.00 0.00 C ATOM 648 CG PHE A 52 6.482 5.158 -9.218 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.363 4.260 -9.879 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.795 6.548 -9.329 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.462 4.722 -10.575 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.905 6.966 -10.036 1.00 0.00 C ATOM 653 CZ PHE A 52 8.729 6.062 -10.652 1.00 0.00 C ATOM 0 H PHE A 52 5.232 2.183 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 52 3.126 4.127 -8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.883 5.440 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.653 3.868 -7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.170 3.198 -9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.157 7.279 -8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.119 4.018 -11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.127 8.021 -10.104 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.593 6.408 -11.201 1.00 0.00 H new ATOM 663 N HIS A 53 3.374 5.924 -10.417 1.00 0.00 N ATOM 664 CA HIS A 53 3.134 6.842 -11.604 1.00 0.00 C ATOM 665 C HIS A 53 3.433 8.287 -11.159 1.00 0.00 C ATOM 666 O HIS A 53 4.252 8.942 -11.768 1.00 0.00 O ATOM 667 CB HIS A 53 1.659 6.684 -12.030 1.00 0.00 C ATOM 668 CG HIS A 53 1.589 5.785 -13.273 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.517 6.225 -14.470 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.587 4.406 -13.376 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.473 5.219 -15.275 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.513 4.054 -14.658 1.00 0.00 N ATOM 0 H HIS A 53 3.034 6.310 -9.536 1.00 0.00 H new ATOM 0 HA HIS A 53 3.777 6.596 -12.449 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.077 6.248 -11.218 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.223 7.659 -12.246 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.638 3.719 -12.544 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.410 5.320 -16.348 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.492 3.118 -15.062 1.00 0.00 H new ATOM 679 N ASP A 54 2.797 8.677 -10.054 1.00 0.00 N ATOM 680 CA ASP A 54 2.906 10.047 -9.379 1.00 0.00 C ATOM 681 C ASP A 54 2.838 11.366 -10.235 1.00 0.00 C ATOM 682 O ASP A 54 3.699 11.644 -11.051 1.00 0.00 O ATOM 683 CB ASP A 54 4.208 10.076 -8.505 1.00 0.00 C ATOM 684 CG ASP A 54 4.278 11.363 -7.656 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.578 11.405 -6.656 1.00 0.00 O ATOM 686 OD2 ASP A 54 5.060 12.221 -8.039 1.00 0.00 O ATOM 0 H ASP A 54 2.160 8.054 -9.558 1.00 0.00 H new ATOM 0 HA ASP A 54 1.971 10.097 -8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.231 9.204 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.084 10.014 -9.150 1.00 0.00 H new ATOM 691 N PHE A 55 1.785 12.151 -9.968 1.00 0.00 N ATOM 692 CA PHE A 55 1.517 13.476 -10.650 1.00 0.00 C ATOM 693 C PHE A 55 0.356 14.144 -9.908 1.00 0.00 C ATOM 694 O PHE A 55 -0.525 13.443 -9.432 1.00 0.00 O ATOM 695 CB PHE A 55 1.222 13.419 -12.198 1.00 0.00 C ATOM 696 CG PHE A 55 0.403 12.154 -12.708 1.00 0.00 C ATOM 697 CD1 PHE A 55 -1.017 12.119 -12.656 1.00 0.00 C ATOM 698 CD2 PHE A 55 1.037 11.102 -13.424 1.00 0.00 C ATOM 699 CE1 PHE A 55 -1.723 11.121 -13.294 1.00 0.00 C ATOM 700 CE2 PHE A 55 0.291 10.129 -14.049 1.00 0.00 C ATOM 701 CZ PHE A 55 -1.072 10.139 -13.985 1.00 0.00 C ATOM 0 H PHE A 55 1.078 11.906 -9.274 1.00 0.00 H new ATOM 0 HA PHE A 55 2.443 14.048 -10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.672 14.318 -12.476 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.173 13.449 -12.730 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.550 12.884 -12.110 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.115 11.066 -13.478 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.802 11.116 -13.247 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.792 9.346 -14.598 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.639 9.367 -14.483 1.00 0.00 H new ATOM 711 N SER A 56 0.417 15.474 -9.795 1.00 0.00 N ATOM 712 CA SER A 56 -0.642 16.282 -9.091 1.00 0.00 C ATOM 713 C SER A 56 -2.010 16.235 -9.786 1.00 0.00 C ATOM 714 O SER A 56 -2.075 16.031 -10.989 1.00 0.00 O ATOM 715 CB SER A 56 -0.164 17.738 -9.097 1.00 0.00 C ATOM 716 OG SER A 56 1.188 17.659 -8.670 1.00 0.00 O ATOM 0 H SER A 56 1.180 16.035 -10.175 1.00 0.00 H new ATOM 0 HA SER A 56 -0.776 15.868 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.243 18.180 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.759 18.356 -8.425 1.00 0.00 H new ATOM 0 HG SER A 56 1.577 18.558 -8.647 1.00 0.00 H new ATOM 722 N LEU A 57 -3.048 16.506 -8.992 1.00 0.00 N ATOM 723 CA LEU A 57 -4.475 16.509 -9.495 1.00 0.00 C ATOM 724 C LEU A 57 -4.726 17.841 -10.222 1.00 0.00 C ATOM 725 O LEU A 57 -4.141 18.860 -9.873 1.00 0.00 O ATOM 726 CB LEU A 57 -5.481 16.438 -8.261 1.00 0.00 C ATOM 727 CG LEU A 57 -5.212 15.296 -7.115 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.419 15.249 -6.059 1.00 0.00 C ATOM 729 CD2 LEU A 57 -4.932 13.833 -7.707 1.00 0.00 C ATOM 0 H LEU A 57 -2.956 16.728 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.630 15.656 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.477 17.411 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.485 16.284 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.296 15.600 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.217 14.484 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.514 16.219 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.348 15.012 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.764 13.135 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.792 13.506 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.049 13.862 -8.346 1.00 0.00 H new ATOM 741 N SER A 58 -5.584 17.770 -11.244 1.00 0.00 N ATOM 742 CA SER A 58 -5.961 18.972 -12.086 1.00 0.00 C ATOM 743 C SER A 58 -6.865 19.955 -11.333 1.00 0.00 C ATOM 744 O SER A 58 -6.889 21.136 -11.638 1.00 0.00 O ATOM 745 CB SER A 58 -6.727 18.441 -13.311 1.00 0.00 C ATOM 746 OG SER A 58 -6.888 19.579 -14.145 1.00 0.00 O ATOM 0 H SER A 58 -6.045 16.906 -11.530 1.00 0.00 H new ATOM 0 HA SER A 58 -5.053 19.510 -12.358 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.170 17.653 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.690 18.018 -13.025 1.00 0.00 H new ATOM 0 HG SER A 58 -7.371 19.323 -14.958 1.00 0.00 H new ATOM 752 N GLY A 59 -7.580 19.414 -10.380 1.00 0.00 N ATOM 753 CA GLY A 59 -8.525 20.195 -9.525 1.00 0.00 C ATOM 754 C GLY A 59 -9.115 19.244 -8.487 1.00 0.00 C ATOM 755 O GLY A 59 -9.324 19.636 -7.349 1.00 0.00 O ATOM 0 H GLY A 59 -7.545 18.421 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.005 21.019 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.316 20.634 -10.133 1.00 0.00 H new ATOM 759 N GLY A 60 -9.345 18.009 -8.926 1.00 0.00 N ATOM 760 CA GLY A 60 -9.922 16.947 -8.034 1.00 0.00 C ATOM 761 C GLY A 60 -10.174 15.631 -8.794 1.00 0.00 C ATOM 762 O GLY A 60 -10.968 14.841 -8.311 1.00 0.00 O ATOM 0 H GLY A 60 -9.151 17.699 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.241 16.762 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.859 17.303 -7.605 1.00 0.00 H new ATOM 766 N GLU A 61 -9.503 15.459 -9.956 1.00 0.00 N ATOM 767 CA GLU A 61 -9.633 14.214 -10.842 1.00 0.00 C ATOM 768 C GLU A 61 -8.238 13.618 -11.081 1.00 0.00 C ATOM 769 O GLU A 61 -7.245 14.312 -10.942 1.00 0.00 O ATOM 770 CB GLU A 61 -10.202 14.592 -12.258 1.00 0.00 C ATOM 771 CG GLU A 61 -11.475 15.498 -12.258 1.00 0.00 C ATOM 772 CD GLU A 61 -11.101 16.974 -12.462 1.00 0.00 C ATOM 773 OE1 GLU A 61 -11.034 17.364 -13.620 1.00 0.00 O ATOM 774 OE2 GLU A 61 -10.930 17.636 -11.455 1.00 0.00 O ATOM 0 H GLU A 61 -8.856 16.154 -10.328 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.299 13.514 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.418 15.099 -12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.434 13.671 -12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.153 15.178 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.009 15.381 -11.315 1.00 0.00 H new ATOM 781 N GLY A 62 -8.220 12.333 -11.425 1.00 0.00 N ATOM 782 CA GLY A 62 -6.941 11.589 -11.698 1.00 0.00 C ATOM 783 C GLY A 62 -7.277 10.144 -12.107 1.00 0.00 C ATOM 784 O GLY A 62 -8.211 9.582 -11.566 1.00 0.00 O ATOM 0 H GLY A 62 -9.061 11.765 -11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.380 12.084 -12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.308 11.591 -10.811 1.00 0.00 H new ATOM 788 N THR A 63 -6.534 9.631 -13.111 1.00 0.00 N ATOM 789 CA THR A 63 -6.703 8.217 -13.669 1.00 0.00 C ATOM 790 C THR A 63 -5.305 7.684 -13.995 1.00 0.00 C ATOM 791 O THR A 63 -4.411 8.477 -14.242 1.00 0.00 O ATOM 792 CB THR A 63 -7.515 8.276 -15.028 1.00 0.00 C ATOM 793 OG1 THR A 63 -8.506 9.274 -14.877 1.00 0.00 O ATOM 794 CG2 THR A 63 -8.364 7.012 -15.368 1.00 0.00 C ATOM 0 H THR A 63 -5.796 10.160 -13.575 1.00 0.00 H new ATOM 0 HA THR A 63 -7.226 7.589 -12.947 1.00 0.00 H new ATOM 0 HB THR A 63 -6.759 8.423 -15.799 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.031 9.342 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.876 7.163 -16.318 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.710 6.143 -15.442 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.100 6.846 -14.581 1.00 0.00 H new ATOM 802 N THR A 64 -5.152 6.353 -13.915 1.00 0.00 N ATOM 803 CA THR A 64 -3.823 5.676 -14.214 1.00 0.00 C ATOM 804 C THR A 64 -3.981 4.155 -14.475 1.00 0.00 C ATOM 805 O THR A 64 -4.676 3.479 -13.736 1.00 0.00 O ATOM 806 CB THR A 64 -2.782 5.903 -13.060 1.00 0.00 C ATOM 807 OG1 THR A 64 -1.935 4.771 -13.101 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.331 5.874 -11.598 1.00 0.00 C ATOM 0 H THR A 64 -5.900 5.711 -13.653 1.00 0.00 H new ATOM 0 HA THR A 64 -3.449 6.143 -15.125 1.00 0.00 H new ATOM 0 HB THR A 64 -2.356 6.891 -13.237 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.253 4.847 -12.401 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.512 6.043 -10.899 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.081 6.656 -11.475 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.784 4.903 -11.398 1.00 0.00 H new ATOM 816 N SER A 65 -3.299 3.688 -15.534 1.00 0.00 N ATOM 817 CA SER A 65 -3.314 2.238 -15.962 1.00 0.00 C ATOM 818 C SER A 65 -2.234 1.441 -15.196 1.00 0.00 C ATOM 819 O SER A 65 -1.054 1.727 -15.363 1.00 0.00 O ATOM 820 CB SER A 65 -2.988 2.209 -17.473 1.00 0.00 C ATOM 821 OG SER A 65 -2.557 0.877 -17.723 1.00 0.00 O ATOM 0 H SER A 65 -2.720 4.282 -16.127 1.00 0.00 H new ATOM 0 HA SER A 65 -4.285 1.790 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.863 2.461 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.211 2.931 -17.725 1.00 0.00 H new ATOM 0 HG SER A 65 -2.331 0.779 -18.672 1.00 0.00 H new ATOM 827 N VAL A 66 -2.697 0.498 -14.351 1.00 0.00 N ATOM 828 CA VAL A 66 -1.803 -0.404 -13.496 1.00 0.00 C ATOM 829 C VAL A 66 -1.890 -1.816 -14.127 1.00 0.00 C ATOM 830 O VAL A 66 -2.930 -2.170 -14.656 1.00 0.00 O ATOM 831 CB VAL A 66 -2.374 -0.374 -11.973 1.00 0.00 C ATOM 832 CG1 VAL A 66 -1.853 -1.582 -11.036 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.062 1.037 -11.280 1.00 0.00 C ATOM 0 H VAL A 66 -3.692 0.317 -14.221 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.761 -0.085 -13.465 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.451 -0.515 -12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.284 -1.482 -10.040 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.157 -2.535 -11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.766 -1.546 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.452 1.037 -10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.985 1.200 -11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.537 1.835 -11.850 1.00 0.00 H new ATOM 843 N VAL A 67 -0.748 -2.527 -14.071 1.00 0.00 N ATOM 844 CA VAL A 67 -0.552 -3.948 -14.611 1.00 0.00 C ATOM 845 C VAL A 67 -0.087 -4.699 -13.350 1.00 0.00 C ATOM 846 O VAL A 67 0.727 -4.137 -12.634 1.00 0.00 O ATOM 847 CB VAL A 67 0.584 -3.940 -15.776 1.00 0.00 C ATOM 848 CG1 VAL A 67 1.241 -5.388 -16.062 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.002 -3.324 -17.132 1.00 0.00 C ATOM 0 H VAL A 67 0.100 -2.151 -13.647 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.433 -4.396 -15.071 1.00 0.00 H new ATOM 0 HB VAL A 67 1.387 -3.308 -15.397 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.988 -5.299 -16.851 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.715 -5.758 -15.153 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.464 -6.085 -16.376 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.779 -3.329 -17.897 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.844 -3.923 -17.470 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.327 -2.300 -16.955 1.00 0.00 H new ATOM 859 N VAL A 68 -0.619 -5.924 -13.132 1.00 0.00 N ATOM 860 CA VAL A 68 -0.245 -6.781 -11.912 1.00 0.00 C ATOM 861 C VAL A 68 -0.154 -8.298 -12.240 1.00 0.00 C ATOM 862 O VAL A 68 -1.053 -8.861 -12.840 1.00 0.00 O ATOM 863 CB VAL A 68 -1.307 -6.613 -10.707 1.00 0.00 C ATOM 864 CG1 VAL A 68 -0.868 -5.496 -9.657 1.00 0.00 C ATOM 865 CG2 VAL A 68 -2.810 -6.388 -11.207 1.00 0.00 C ATOM 0 H VAL A 68 -1.298 -6.362 -13.754 1.00 0.00 H new ATOM 0 HA VAL A 68 0.737 -6.415 -11.611 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.298 -7.571 -10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.617 -5.424 -8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.094 -5.765 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.781 -4.535 -10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.468 -6.283 -10.345 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.860 -5.484 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.127 -7.243 -11.804 1.00 0.00 H new ATOM 875 N ARG A 69 0.964 -8.886 -11.794 1.00 0.00 N ATOM 876 CA ARG A 69 1.299 -10.356 -11.976 1.00 0.00 C ATOM 877 C ARG A 69 0.730 -11.101 -10.756 1.00 0.00 C ATOM 878 O ARG A 69 0.438 -10.453 -9.760 1.00 0.00 O ATOM 879 CB ARG A 69 2.875 -10.488 -11.980 1.00 0.00 C ATOM 880 CG ARG A 69 3.574 -10.011 -13.330 1.00 0.00 C ATOM 881 CD ARG A 69 3.801 -11.137 -14.392 1.00 0.00 C ATOM 882 NE ARG A 69 4.126 -10.478 -15.687 1.00 0.00 N ATOM 883 CZ ARG A 69 5.150 -10.898 -16.380 1.00 0.00 C ATOM 884 NH1 ARG A 69 5.017 -11.966 -17.117 1.00 0.00 N ATOM 885 NH2 ARG A 69 6.272 -10.234 -16.312 1.00 0.00 N ATOM 0 H ARG A 69 1.686 -8.373 -11.288 1.00 0.00 H new ATOM 0 HA ARG A 69 0.887 -10.762 -12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.278 -9.905 -11.151 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.140 -11.529 -11.796 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.965 -9.227 -13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.538 -9.565 -13.084 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.613 -11.796 -14.084 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.909 -11.755 -14.491 1.00 0.00 H new ATOM 0 HE ARG A 69 3.554 -9.706 -16.030 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.124 -12.458 -17.145 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.806 -12.309 -17.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.338 -9.403 -15.725 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.083 -10.547 -16.846 1.00 0.00 H new ATOM 899 N ARG A 70 0.575 -12.430 -10.877 1.00 0.00 N ATOM 900 CA ARG A 70 0.028 -13.305 -9.764 1.00 0.00 C ATOM 901 C ARG A 70 0.984 -13.341 -8.540 1.00 0.00 C ATOM 902 O ARG A 70 0.502 -13.469 -7.425 1.00 0.00 O ATOM 903 CB ARG A 70 -0.121 -14.739 -10.403 1.00 0.00 C ATOM 904 CG ARG A 70 -0.682 -15.889 -9.428 1.00 0.00 C ATOM 905 CD ARG A 70 -1.353 -17.074 -10.188 1.00 0.00 C ATOM 906 NE ARG A 70 -1.505 -18.201 -9.226 1.00 0.00 N ATOM 907 CZ ARG A 70 -1.750 -19.400 -9.676 1.00 0.00 C ATOM 908 NH1 ARG A 70 -2.986 -19.741 -9.921 1.00 0.00 N ATOM 909 NH2 ARG A 70 -0.752 -20.219 -9.866 1.00 0.00 N ATOM 0 H ARG A 70 0.814 -12.945 -11.724 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.920 -12.922 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.785 -14.664 -11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.854 -15.051 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.139 -16.274 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.406 -15.451 -8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.324 -16.774 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.743 -17.377 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.418 -18.036 -8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.741 -19.074 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.197 -20.675 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.201 -19.917 -9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.925 -21.161 -10.217 1.00 0.00 H new ATOM 923 N SER A 71 2.294 -13.252 -8.829 1.00 0.00 N ATOM 924 CA SER A 71 3.409 -13.267 -7.785 1.00 0.00 C ATOM 925 C SER A 71 4.382 -12.117 -8.037 1.00 0.00 C ATOM 926 O SER A 71 4.509 -11.687 -9.169 1.00 0.00 O ATOM 927 CB SER A 71 4.199 -14.575 -7.946 1.00 0.00 C ATOM 928 OG SER A 71 3.224 -15.600 -7.833 1.00 0.00 O ATOM 0 H SER A 71 2.641 -13.167 -9.784 1.00 0.00 H new ATOM 0 HA SER A 71 2.970 -13.175 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.706 -14.615 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.966 -14.672 -7.178 1.00 0.00 H new ATOM 0 HG SER A 71 3.656 -16.474 -7.928 1.00 0.00 H new ATOM 934 N PHE A 72 4.998 -11.620 -6.953 1.00 0.00 N ATOM 935 CA PHE A 72 5.997 -10.472 -7.049 1.00 0.00 C ATOM 936 C PHE A 72 6.942 -10.446 -5.841 1.00 0.00 C ATOM 937 O PHE A 72 6.555 -10.813 -4.743 1.00 0.00 O ATOM 938 CB PHE A 72 5.251 -9.092 -7.184 1.00 0.00 C ATOM 939 CG PHE A 72 3.933 -9.004 -6.273 1.00 0.00 C ATOM 940 CD1 PHE A 72 3.998 -8.631 -4.899 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.631 -9.259 -6.795 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.855 -8.531 -4.139 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.514 -9.144 -5.994 1.00 0.00 C ATOM 944 CZ PHE A 72 1.627 -8.784 -4.680 1.00 0.00 C ATOM 0 H PHE A 72 4.847 -11.966 -6.006 1.00 0.00 H new ATOM 0 HA PHE A 72 6.597 -10.636 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.932 -8.288 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.977 -8.933 -8.227 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.957 -8.424 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.518 -9.546 -7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.930 -8.248 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.537 -9.341 -6.410 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.742 -8.699 -4.067 1.00 0.00 H new ATOM 954 N THR A 73 8.174 -10.017 -6.128 1.00 0.00 N ATOM 955 CA THR A 73 9.274 -9.904 -5.116 1.00 0.00 C ATOM 956 C THR A 73 8.977 -8.764 -4.113 1.00 0.00 C ATOM 957 O THR A 73 8.969 -7.604 -4.500 1.00 0.00 O ATOM 958 CB THR A 73 10.559 -9.608 -5.968 1.00 0.00 C ATOM 959 OG1 THR A 73 10.838 -10.844 -6.597 1.00 0.00 O ATOM 960 CG2 THR A 73 11.891 -9.310 -5.193 1.00 0.00 C ATOM 0 H THR A 73 8.456 -9.733 -7.066 1.00 0.00 H new ATOM 0 HA THR A 73 9.388 -10.805 -4.513 1.00 0.00 H new ATOM 0 HB THR A 73 10.329 -8.726 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.635 -10.752 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.694 -9.124 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.756 -8.432 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.150 -10.167 -4.571 1.00 0.00 H new ATOM 968 N GLY A 74 8.738 -9.155 -2.855 1.00 0.00 N ATOM 969 CA GLY A 74 8.435 -8.173 -1.744 1.00 0.00 C ATOM 970 C GLY A 74 9.710 -7.389 -1.376 1.00 0.00 C ATOM 971 O GLY A 74 10.791 -7.923 -1.546 1.00 0.00 O ATOM 0 H GLY A 74 8.743 -10.131 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.652 -7.484 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.059 -8.704 -0.870 1.00 0.00 H new ATOM 975 N TYR A 75 9.522 -6.133 -0.927 1.00 0.00 N ATOM 976 CA TYR A 75 10.656 -5.199 -0.513 1.00 0.00 C ATOM 977 C TYR A 75 10.236 -4.457 0.785 1.00 0.00 C ATOM 978 O TYR A 75 9.662 -3.377 0.752 1.00 0.00 O ATOM 979 CB TYR A 75 10.886 -4.233 -1.732 1.00 0.00 C ATOM 980 CG TYR A 75 12.032 -3.149 -1.486 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.403 -3.495 -1.608 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.746 -1.773 -1.280 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.387 -2.534 -1.542 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.764 -0.842 -1.223 1.00 0.00 C ATOM 985 CZ TYR A 75 14.080 -1.213 -1.353 1.00 0.00 C ATOM 986 OH TYR A 75 15.083 -0.266 -1.324 1.00 0.00 O ATOM 0 H TYR A 75 8.597 -5.713 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 75 11.589 -5.716 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.142 -4.826 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.952 -3.717 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.679 -4.529 -1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.721 -1.452 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.421 -2.828 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.520 0.199 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 75 14.691 0.621 -1.182 1.00 0.00 H new ATOM 996 N VAL A 76 10.554 -5.115 1.908 1.00 0.00 N ATOM 997 CA VAL A 76 10.243 -4.600 3.302 1.00 0.00 C ATOM 998 C VAL A 76 11.192 -3.416 3.606 1.00 0.00 C ATOM 999 O VAL A 76 12.378 -3.631 3.734 1.00 0.00 O ATOM 1000 CB VAL A 76 10.462 -5.839 4.341 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.559 -5.397 5.891 1.00 0.00 C ATOM 1002 CG2 VAL A 76 9.320 -6.947 4.151 1.00 0.00 C ATOM 0 H VAL A 76 11.032 -6.016 1.906 1.00 0.00 H new ATOM 0 HA VAL A 76 9.218 -4.241 3.393 1.00 0.00 H new ATOM 0 HB VAL A 76 11.435 -6.261 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.704 -6.280 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.401 -4.717 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.637 -4.894 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.485 -7.764 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.344 -6.499 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.353 -7.332 3.132 1.00 0.00 H new ATOM 1012 N MET A 77 10.609 -2.198 3.778 1.00 0.00 N ATOM 1013 CA MET A 77 11.327 -0.843 4.098 1.00 0.00 C ATOM 1014 C MET A 77 12.624 -0.463 3.185 1.00 0.00 C ATOM 1015 O MET A 77 13.094 -1.319 2.465 1.00 0.00 O ATOM 1016 CB MET A 77 11.727 -0.847 5.666 1.00 0.00 C ATOM 1017 CG MET A 77 10.549 -0.502 6.635 1.00 0.00 C ATOM 1018 SD MET A 77 10.069 1.263 6.839 1.00 0.00 S ATOM 1019 CE MET A 77 8.438 1.151 7.662 1.00 0.00 C ATOM 0 H MET A 77 9.598 -2.083 3.704 1.00 0.00 H new ATOM 0 HA MET A 77 10.609 -0.063 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 77 12.119 -1.830 5.926 1.00 0.00 H new ATOM 0 HB3 MET A 77 12.533 -0.131 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.669 -1.048 6.295 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.805 -0.892 7.620 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.049 2.154 7.836 1.00 0.00 H new ATOM 0 HE2 MET A 77 7.746 0.599 7.025 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.546 0.633 8.615 1.00 0.00 H new ATOM 1029 N PRO A 78 13.169 0.853 3.107 1.00 0.00 N ATOM 1030 CA PRO A 78 14.399 1.130 2.244 1.00 0.00 C ATOM 1031 C PRO A 78 15.708 0.414 2.715 1.00 0.00 C ATOM 1032 O PRO A 78 16.640 0.292 1.930 1.00 0.00 O ATOM 1033 CB PRO A 78 14.648 2.648 2.358 1.00 0.00 C ATOM 1034 CG PRO A 78 13.507 3.274 3.169 1.00 0.00 C ATOM 1035 CD PRO A 78 12.540 2.163 3.571 1.00 0.00 C ATOM 0 HA PRO A 78 14.193 0.761 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.605 2.838 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.698 3.098 1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.900 3.774 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.991 4.031 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.382 2.157 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.565 2.311 3.107 1.00 0.00 H new ATOM 1043 N ASP A 79 15.687 -0.106 3.947 1.00 0.00 N ATOM 1044 CA ASP A 79 16.863 -0.825 4.561 1.00 0.00 C ATOM 1045 C ASP A 79 17.022 -2.285 4.094 1.00 0.00 C ATOM 1046 O ASP A 79 18.155 -2.705 3.914 1.00 0.00 O ATOM 1047 CB ASP A 79 16.618 -0.864 6.076 1.00 0.00 C ATOM 1048 CG ASP A 79 16.895 0.519 6.668 1.00 0.00 C ATOM 1049 OD1 ASP A 79 15.982 1.326 6.608 1.00 0.00 O ATOM 1050 OD2 ASP A 79 18.004 0.690 7.147 1.00 0.00 O ATOM 0 H ASP A 79 14.874 -0.054 4.560 1.00 0.00 H new ATOM 0 HA ASP A 79 17.764 -0.290 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.590 -1.161 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.265 -1.608 6.542 1.00 0.00 H new ATOM 1055 N GLY A 80 15.905 -3.038 3.960 1.00 0.00 N ATOM 1056 CA GLY A 80 15.975 -4.486 3.506 1.00 0.00 C ATOM 1057 C GLY A 80 16.452 -5.377 4.727 1.00 0.00 C ATOM 1058 O GLY A 80 16.274 -4.886 5.834 1.00 0.00 O ATOM 0 H GLY A 80 14.962 -2.699 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.999 -4.819 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.668 -4.587 2.671 1.00 0.00 H new ATOM 1062 N PRO A 81 16.996 -6.662 4.593 1.00 0.00 N ATOM 1063 CA PRO A 81 17.225 -7.470 3.326 1.00 0.00 C ATOM 1064 C PRO A 81 15.935 -7.896 2.606 1.00 0.00 C ATOM 1065 O PRO A 81 14.891 -7.997 3.234 1.00 0.00 O ATOM 1066 CB PRO A 81 17.937 -8.758 3.795 1.00 0.00 C ATOM 1067 CG PRO A 81 18.083 -8.710 5.322 1.00 0.00 C ATOM 1068 CD PRO A 81 17.470 -7.402 5.818 1.00 0.00 C ATOM 0 HA PRO A 81 17.784 -6.857 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.364 -9.636 3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.916 -8.841 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 81 17.581 -9.563 5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.134 -8.769 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.642 -7.595 6.500 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.204 -6.813 6.368 1.00 0.00 H new ATOM 1076 N GLU A 82 16.082 -8.129 1.298 1.00 0.00 N ATOM 1077 CA GLU A 82 14.953 -8.559 0.397 1.00 0.00 C ATOM 1078 C GLU A 82 14.539 -10.013 0.751 1.00 0.00 C ATOM 1079 O GLU A 82 15.412 -10.862 0.882 1.00 0.00 O ATOM 1080 CB GLU A 82 15.551 -8.456 -1.058 1.00 0.00 C ATOM 1081 CG GLU A 82 14.607 -8.906 -2.222 1.00 0.00 C ATOM 1082 CD GLU A 82 15.012 -8.139 -3.486 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.938 -8.608 -4.128 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.374 -7.129 -3.740 1.00 0.00 O ATOM 0 H GLU A 82 16.974 -8.032 0.814 1.00 0.00 H new ATOM 0 HA GLU A 82 14.055 -7.949 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.846 -7.422 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.459 -9.058 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.690 -9.980 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.567 -8.701 -1.969 1.00 0.00 H new ATOM 1091 N VAL A 83 13.216 -10.236 0.859 1.00 0.00 N ATOM 1092 CA VAL A 83 12.627 -11.598 1.204 1.00 0.00 C ATOM 1093 C VAL A 83 12.585 -12.536 -0.049 1.00 0.00 C ATOM 1094 O VAL A 83 13.565 -13.238 -0.250 1.00 0.00 O ATOM 1095 CB VAL A 83 11.188 -11.420 1.953 1.00 0.00 C ATOM 1096 CG1 VAL A 83 11.376 -11.235 3.535 1.00 0.00 C ATOM 1097 CG2 VAL A 83 10.287 -10.234 1.356 1.00 0.00 C ATOM 0 H VAL A 83 12.514 -9.510 0.718 1.00 0.00 H new ATOM 0 HA VAL A 83 13.280 -12.104 1.915 1.00 0.00 H new ATOM 0 HB VAL A 83 10.645 -12.345 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.400 -11.119 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.876 -12.112 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.980 -10.349 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.347 -10.179 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.820 -9.288 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.081 -10.428 0.303 1.00 0.00 H new ATOM 1107 N GLY A 84 11.536 -12.510 -0.874 1.00 0.00 N ATOM 1108 CA GLY A 84 11.446 -13.390 -2.084 1.00 0.00 C ATOM 1109 C GLY A 84 10.019 -13.355 -2.629 1.00 0.00 C ATOM 1110 O GLY A 84 9.187 -12.605 -2.139 1.00 0.00 O ATOM 0 H GLY A 84 10.730 -11.898 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.147 -13.052 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.724 -14.412 -1.826 1.00 0.00 H new ATOM 1114 N ALA A 85 9.810 -14.184 -3.630 1.00 0.00 N ATOM 1115 CA ALA A 85 8.481 -14.323 -4.325 1.00 0.00 C ATOM 1116 C ALA A 85 7.415 -14.973 -3.426 1.00 0.00 C ATOM 1117 O ALA A 85 7.633 -16.086 -2.963 1.00 0.00 O ATOM 1118 CB ALA A 85 8.699 -15.239 -5.546 1.00 0.00 C ATOM 0 H ALA A 85 10.535 -14.794 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 85 8.125 -13.329 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.757 -15.366 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.435 -14.788 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.060 -16.211 -5.211 1.00 0.00 H new ATOM 1124 N VAL A 86 6.335 -14.200 -3.164 1.00 0.00 N ATOM 1125 CA VAL A 86 5.156 -14.640 -2.306 1.00 0.00 C ATOM 1126 C VAL A 86 3.852 -14.392 -3.118 1.00 0.00 C ATOM 1127 O VAL A 86 3.687 -13.339 -3.719 1.00 0.00 O ATOM 1128 CB VAL A 86 5.226 -13.885 -0.871 1.00 0.00 C ATOM 1129 CG1 VAL A 86 4.896 -12.322 -0.916 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.387 -14.640 0.262 1.00 0.00 C ATOM 0 H VAL A 86 6.235 -13.253 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 86 5.180 -15.704 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 86 6.279 -13.940 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.968 -11.906 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.608 -11.818 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.886 -12.174 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.468 -14.092 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.340 -14.695 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.780 -15.648 0.395 1.00 0.00 H new ATOM 1140 N ASP A 87 2.993 -15.413 -3.112 1.00 0.00 N ATOM 1141 CA ASP A 87 1.667 -15.390 -3.840 1.00 0.00 C ATOM 1142 C ASP A 87 0.558 -14.810 -2.959 1.00 0.00 C ATOM 1143 O ASP A 87 0.516 -15.120 -1.780 1.00 0.00 O ATOM 1144 CB ASP A 87 1.279 -16.850 -4.128 1.00 0.00 C ATOM 1145 CG ASP A 87 2.066 -17.367 -5.335 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.240 -17.639 -5.142 1.00 0.00 O ATOM 1147 OD2 ASP A 87 1.446 -17.464 -6.381 1.00 0.00 O ATOM 0 H ASP A 87 3.170 -16.285 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 87 1.771 -14.784 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.485 -17.470 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.209 -16.920 -4.323 1.00 0.00 H new ATOM 1152 N CYS A 88 -0.328 -14.023 -3.583 1.00 0.00 N ATOM 1153 CA CYS A 88 -1.494 -13.361 -2.881 1.00 0.00 C ATOM 1154 C CYS A 88 -2.699 -14.352 -2.769 1.00 0.00 C ATOM 1155 O CYS A 88 -3.693 -14.239 -3.470 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.835 -12.102 -3.733 1.00 0.00 C ATOM 1157 SG CYS A 88 -3.169 -11.005 -3.176 1.00 0.00 S ATOM 0 H CYS A 88 -0.280 -13.813 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.255 -13.074 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.928 -11.503 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.085 -12.441 -4.738 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.528 -15.338 -1.876 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.568 -16.419 -1.599 1.00 0.00 C ATOM 1164 C ASP A 89 -3.245 -17.137 -0.282 1.00 0.00 C ATOM 1165 O ASP A 89 -4.157 -17.494 0.451 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.529 -17.519 -2.708 1.00 0.00 C ATOM 1167 CG ASP A 89 -4.646 -17.324 -3.746 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -5.748 -17.765 -3.453 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -4.328 -16.773 -4.786 1.00 0.00 O ATOM 0 H ASP A 89 -1.682 -15.435 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.540 -15.928 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.561 -17.497 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.628 -18.502 -2.248 1.00 0.00 H new ATOM 1174 N THR A 90 -1.951 -17.243 0.001 1.00 0.00 N ATOM 1175 CA THR A 90 -1.438 -17.928 1.256 1.00 0.00 C ATOM 1176 C THR A 90 -1.542 -17.003 2.477 1.00 0.00 C ATOM 1177 O THR A 90 -1.672 -17.503 3.591 1.00 0.00 O ATOM 1178 CB THR A 90 0.080 -18.258 1.061 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.628 -17.151 0.372 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.379 -19.469 0.121 1.00 0.00 C ATOM 0 H THR A 90 -1.213 -16.875 -0.599 1.00 0.00 H new ATOM 0 HA THR A 90 -2.037 -18.823 1.421 1.00 0.00 H new ATOM 0 HB THR A 90 0.481 -18.482 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.585 -17.300 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.457 -19.617 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.085 -20.368 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.026 -19.268 -0.871 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.522 -15.688 2.226 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.615 -14.658 3.344 1.00 0.00 C ATOM 1190 C ALA A 91 -3.051 -14.679 4.029 1.00 0.00 C ATOM 1191 O ALA A 91 -3.974 -14.986 3.289 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.452 -13.259 2.720 1.00 0.00 C ATOM 0 H ALA A 91 -1.445 -15.288 1.291 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.847 -14.886 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.515 -12.502 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.482 -13.191 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.243 -13.092 1.989 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.280 -14.334 5.375 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.670 -14.378 5.962 1.00 0.00 C ATOM 1200 C PRO A 92 -5.569 -13.213 5.479 1.00 0.00 C ATOM 1201 O PRO A 92 -6.679 -13.458 5.034 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.451 -14.245 7.487 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.068 -13.606 7.688 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.264 -13.880 6.413 1.00 0.00 C ATOM 0 HA PRO A 92 -5.179 -15.294 5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.230 -13.628 7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.499 -15.221 7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.159 -12.534 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.569 -14.031 8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.739 -12.984 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.509 -14.647 6.584 1.00 0.00 H new ATOM 1212 N GLY A 93 -5.036 -11.991 5.553 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.780 -10.748 5.128 1.00 0.00 C ATOM 1214 C GLY A 93 -5.900 -10.627 3.609 1.00 0.00 C ATOM 1215 O GLY A 93 -6.965 -10.301 3.110 1.00 0.00 O ATOM 0 H GLY A 93 -4.094 -11.810 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.777 -10.757 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.267 -9.870 5.520 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.769 -10.844 2.938 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.676 -10.768 1.426 1.00 0.00 C ATOM 1221 C GLY A 94 -4.473 -9.315 0.961 1.00 0.00 C ATOM 1222 O GLY A 94 -4.534 -8.392 1.761 1.00 0.00 O ATOM 0 H GLY A 94 -3.886 -11.076 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.848 -11.385 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.585 -11.173 0.981 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.224 -9.178 -0.336 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.994 -7.835 -0.983 1.00 0.00 C ATOM 1228 C CYS A 95 -5.273 -6.990 -1.046 1.00 0.00 C ATOM 1229 O CYS A 95 -6.366 -7.536 -1.027 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.529 -8.110 -2.415 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.207 -9.321 -2.622 1.00 0.00 S ATOM 0 H CYS A 95 -4.171 -9.964 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.263 -7.279 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.390 -8.445 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.198 -7.168 -2.852 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.071 -5.665 -1.069 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.185 -4.633 -1.130 1.00 0.00 C ATOM 1238 C GLU A 96 -5.547 -3.340 -1.701 1.00 0.00 C ATOM 1239 O GLU A 96 -4.485 -2.951 -1.244 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.736 -4.421 0.352 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.715 -3.226 0.565 1.00 0.00 C ATOM 1242 CD GLU A 96 -8.614 -3.581 1.749 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.103 -3.521 2.855 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -9.763 -3.893 1.482 1.00 0.00 O ATOM 0 H GLU A 96 -4.139 -5.250 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.022 -4.934 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.241 -5.336 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.883 -4.286 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.163 -2.307 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.310 -3.053 -0.331 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.258 -2.711 -2.648 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.802 -1.436 -3.330 1.00 0.00 C ATOM 1253 C ILE A 97 -6.134 -0.306 -2.332 1.00 0.00 C ATOM 1254 O ILE A 97 -7.187 -0.353 -1.716 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.611 -1.290 -4.744 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.069 -2.275 -5.938 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.571 0.240 -5.302 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.943 -3.798 -5.628 1.00 0.00 C ATOM 0 H ILE A 97 -7.162 -3.048 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.740 -1.415 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.630 -1.589 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.736 -2.162 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.088 -1.915 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.119 0.299 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.031 0.906 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.536 0.541 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.573 -4.320 -6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.247 -3.945 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.920 -4.196 -5.354 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.176 0.644 -2.202 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.264 1.860 -1.284 1.00 0.00 C ATOM 1272 C VAL A 98 -4.828 3.070 -2.167 1.00 0.00 C ATOM 1273 O VAL A 98 -3.865 2.966 -2.917 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.271 1.737 0.007 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.605 2.822 1.151 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.287 0.269 0.622 1.00 0.00 C ATOM 0 H VAL A 98 -4.302 0.609 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.272 1.963 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.268 1.948 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.915 2.695 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.499 3.827 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.627 2.679 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.615 0.226 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.299 0.020 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.959 -0.445 -0.133 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.652 4.128 -2.101 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.474 5.452 -2.850 1.00 0.00 C ATOM 1288 C VAL A 99 -5.803 6.492 -1.745 1.00 0.00 C ATOM 1289 O VAL A 99 -6.698 6.243 -0.946 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.526 5.652 -4.083 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.032 6.766 -5.126 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.868 4.293 -4.829 1.00 0.00 C ATOM 0 H VAL A 99 -6.491 4.120 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.485 5.525 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.449 6.008 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.764 6.864 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.925 7.722 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.071 6.470 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.571 4.489 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.954 3.863 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.314 3.592 -4.123 1.00 0.00 H new ATOM 1302 N GLY A 100 -5.056 7.596 -1.695 1.00 0.00 N ATOM 1303 CA GLY A 100 -5.317 8.657 -0.642 1.00 0.00 C ATOM 1304 C GLY A 100 -4.254 9.754 -0.667 1.00 0.00 C ATOM 1305 O GLY A 100 -3.690 10.041 -1.705 1.00 0.00 O ATOM 0 H GLY A 100 -4.287 7.803 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.300 9.099 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.338 8.193 0.344 1.00 0.00 H new ATOM 1309 N GLY A 101 -4.072 10.363 0.503 1.00 0.00 N ATOM 1310 CA GLY A 101 -3.073 11.463 0.698 1.00 0.00 C ATOM 1311 C GLY A 101 -2.866 11.685 2.197 1.00 0.00 C ATOM 1312 O GLY A 101 -3.215 10.823 2.989 1.00 0.00 O ATOM 0 H GLY A 101 -4.596 10.127 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.128 11.203 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.426 12.380 0.226 1.00 0.00 H new ATOM 1316 N ASN A 102 -2.335 12.852 2.521 1.00 0.00 N ATOM 1317 CA ASN A 102 -2.050 13.245 3.956 1.00 0.00 C ATOM 1318 C ASN A 102 -3.293 13.483 4.847 1.00 0.00 C ATOM 1319 O ASN A 102 -3.205 13.171 6.025 1.00 0.00 O ATOM 1320 CB ASN A 102 -1.174 14.529 3.957 1.00 0.00 C ATOM 1321 CG ASN A 102 -1.761 15.637 3.070 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -2.525 16.463 3.518 1.00 0.00 O ATOM 1323 ND2 ASN A 102 -1.409 15.701 1.815 1.00 0.00 N ATOM 0 H ASN A 102 -2.081 13.565 1.837 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.541 12.388 4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.076 14.898 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.171 14.282 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -1.777 16.443 1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.766 15.009 1.430 1.00 0.00 H new ATOM 1330 N THR A 103 -4.394 14.016 4.264 1.00 0.00 N ATOM 1331 CA THR A 103 -5.703 14.314 5.026 1.00 0.00 C ATOM 1332 C THR A 103 -6.924 13.628 4.364 1.00 0.00 C ATOM 1333 O THR A 103 -7.946 13.448 5.016 1.00 0.00 O ATOM 1334 CB THR A 103 -5.944 15.864 4.968 1.00 0.00 C ATOM 1335 OG1 THR A 103 -5.445 16.257 3.709 1.00 0.00 O ATOM 1336 CG2 THR A 103 -5.101 16.706 5.963 1.00 0.00 C ATOM 0 H THR A 103 -4.435 14.259 3.274 1.00 0.00 H new ATOM 0 HA THR A 103 -5.603 13.940 6.045 1.00 0.00 H new ATOM 0 HB THR A 103 -6.999 16.031 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.474 16.376 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.343 17.762 5.842 1.00 0.00 H new ATOM 0 HG22 THR A 103 -5.327 16.397 6.984 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.041 16.551 5.763 1.00 0.00 H new ATOM 1344 N GLY A 104 -6.756 13.169 3.123 1.00 0.00 N ATOM 1345 CA GLY A 104 -7.872 12.477 2.343 1.00 0.00 C ATOM 1346 C GLY A 104 -8.307 11.069 2.840 1.00 0.00 C ATOM 1347 O GLY A 104 -9.200 10.503 2.239 1.00 0.00 O ATOM 0 H GLY A 104 -5.878 13.246 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -8.747 13.126 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.555 12.387 1.304 1.00 0.00 H new ATOM 1351 N GLU A 105 -7.661 10.533 3.892 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.969 9.151 4.507 1.00 0.00 C ATOM 1353 C GLU A 105 -7.699 7.958 3.524 1.00 0.00 C ATOM 1354 O GLU A 105 -7.391 8.156 2.360 1.00 0.00 O ATOM 1355 CB GLU A 105 -9.437 9.048 5.134 1.00 0.00 C ATOM 1356 CG GLU A 105 -9.909 10.309 5.921 1.00 0.00 C ATOM 1357 CD GLU A 105 -10.954 9.867 6.948 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -12.057 9.587 6.511 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -10.588 9.836 8.112 1.00 0.00 O ATOM 0 H GLU A 105 -6.901 11.018 4.369 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.259 9.059 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.146 8.854 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.470 8.188 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.064 10.785 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.334 11.046 5.239 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.813 6.743 4.056 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.586 5.472 3.271 1.00 0.00 C ATOM 1368 C TYR A 106 -8.695 5.210 2.223 1.00 0.00 C ATOM 1369 O TYR A 106 -9.854 5.530 2.453 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.601 4.292 4.289 1.00 0.00 C ATOM 1371 CG TYR A 106 -6.596 4.560 5.503 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -5.209 4.305 5.377 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -7.042 5.019 6.773 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -4.353 4.489 6.445 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -6.153 5.191 7.814 1.00 0.00 C ATOM 1376 CZ TYR A 106 -4.815 4.931 7.659 1.00 0.00 C ATOM 1377 OH TYR A 106 -3.943 5.110 8.713 1.00 0.00 O ATOM 0 H TYR A 106 -8.062 6.583 5.032 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.641 5.564 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.611 4.154 4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.324 3.368 3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -4.815 3.962 4.432 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.089 5.236 6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -3.300 4.281 6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.518 5.537 8.770 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.438 5.428 9.497 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.277 4.633 1.092 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.211 4.297 -0.049 1.00 0.00 C ATOM 1389 C GLY A 107 -10.069 3.078 0.291 1.00 0.00 C ATOM 1390 O GLY A 107 -11.274 3.197 0.399 1.00 0.00 O ATOM 0 H GLY A 107 -7.305 4.379 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.854 5.151 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.633 4.100 -0.952 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.370 1.948 0.455 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.970 0.592 0.796 1.00 0.00 C ATOM 1396 C ASN A 108 -10.946 0.045 -0.301 1.00 0.00 C ATOM 1397 O ASN A 108 -12.040 0.563 -0.484 1.00 0.00 O ATOM 1398 CB ASN A 108 -10.618 0.609 2.235 1.00 0.00 C ATOM 1399 CG ASN A 108 -10.649 -0.814 2.805 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -11.475 -1.629 2.439 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -9.778 -1.150 3.717 1.00 0.00 N ATOM 0 H ASN A 108 -8.355 1.918 0.359 1.00 0.00 H new ATOM 0 HA ASN A 108 -9.146 -0.121 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.046 1.263 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.629 1.013 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -9.794 -2.089 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -9.081 -0.474 4.031 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.462 -0.966 -1.063 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.277 -1.626 -2.180 1.00 0.00 C ATOM 1410 C ALA A 109 -10.699 -3.035 -2.504 1.00 0.00 C ATOM 1411 O ALA A 109 -9.724 -3.165 -3.235 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.241 -0.725 -3.458 1.00 0.00 C ATOM 0 H ALA A 109 -9.527 -1.357 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.310 -1.740 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.821 -1.196 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.667 0.251 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.209 -0.602 -3.787 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.307 -4.054 -1.884 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.890 -5.496 -2.072 1.00 0.00 C ATOM 1420 C ALA A 110 -11.263 -6.029 -3.466 1.00 0.00 C ATOM 1421 O ALA A 110 -12.206 -5.528 -4.058 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.664 -6.325 -1.035 1.00 0.00 C ATOM 0 H ALA A 110 -12.091 -3.932 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.808 -5.567 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.393 -7.376 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.413 -5.979 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.735 -6.209 -1.202 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.474 -7.026 -3.920 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.631 -7.733 -5.277 1.00 0.00 C ATOM 1430 C ILE A 111 -10.968 -9.240 -5.023 1.00 0.00 C ATOM 1431 O ILE A 111 -10.882 -9.658 -3.878 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.260 -7.549 -6.131 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.906 -7.854 -5.262 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.225 -6.063 -6.767 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.717 -8.465 -6.087 1.00 0.00 C ATOM 0 H ILE A 111 -9.693 -7.390 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.445 -7.298 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.266 -8.294 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.570 -6.925 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.158 -8.539 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.307 -5.934 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.085 -5.928 -7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.259 -5.324 -5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.865 -8.633 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.028 -9.413 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.432 -7.774 -6.880 1.00 0.00 H new ATOM 1447 N SER A 112 -11.375 -9.975 -6.088 1.00 0.00 N ATOM 1448 CA SER A 112 -11.740 -11.452 -6.015 1.00 0.00 C ATOM 1449 C SER A 112 -11.220 -12.162 -7.268 1.00 0.00 C ATOM 1450 O SER A 112 -10.988 -11.504 -8.266 1.00 0.00 O ATOM 1451 CB SER A 112 -13.277 -11.590 -5.999 1.00 0.00 C ATOM 1452 OG SER A 112 -13.504 -12.895 -5.487 1.00 0.00 O ATOM 0 H SER A 112 -11.466 -9.583 -7.025 1.00 0.00 H new ATOM 0 HA SER A 112 -11.303 -11.889 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.739 -10.829 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.698 -11.475 -6.998 1.00 0.00 H new ATOM 0 HG SER A 112 -14.468 -13.066 -5.442 1.00 0.00 H new ATOM 1458 N PHE A 113 -11.046 -13.483 -7.136 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.542 -14.396 -8.243 1.00 0.00 C ATOM 1460 C PHE A 113 -11.672 -15.305 -8.719 1.00 0.00 C ATOM 1461 O PHE A 113 -12.644 -15.497 -8.004 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.437 -15.303 -7.652 1.00 0.00 C ATOM 1463 CG PHE A 113 -8.478 -14.467 -6.695 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.509 -13.586 -7.233 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -8.524 -14.577 -5.274 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.656 -12.882 -6.407 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -7.652 -13.854 -4.486 1.00 0.00 C ATOM 1468 CZ PHE A 113 -6.728 -13.015 -5.047 1.00 0.00 C ATOM 0 H PHE A 113 -11.243 -13.979 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.171 -13.792 -9.071 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.891 -16.123 -7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.855 -15.749 -8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.436 -13.463 -8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.247 -15.232 -4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.922 -12.218 -6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.699 -13.952 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.054 -12.456 -4.415 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.502 -15.831 -9.923 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.523 -16.749 -10.541 1.00 0.00 C ATOM 1480 C GLY A 114 -12.050 -17.185 -11.930 1.00 0.00 C ATOM 1481 O GLY A 114 -12.774 -16.889 -12.866 1.00 0.00 O ATOM 1482 OXT GLY A 114 -10.991 -17.790 -11.976 1.00 0.00 O ATOM 0 H GLY A 114 -10.685 -15.657 -10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.673 -17.622 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.485 -16.241 -10.616 1.00 0.00 H new TER 1486 GLY A 114