USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 NoAdj-H: A 98 SER H : A 98 SER N : A 33 ASP O :(H bumps) USER MOD Set 1.1: A 53 SER OG : rot 180:sc= -0.178 USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= -0.558 USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -1.9! C(o=-13!,f=-12!) USER MOD Set 2.2: A 32 TYR OH : rot 21:sc= 0.958 USER MOD Set 2.3: A 103 ASN : amide:sc= -11.4! C(o=-12!,f=-15!) USER MOD Single : A 1 ALA N :NH3+ 142:sc= 0.0135 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 8 THR OG1 : rot -141:sc= -3.25! USER MOD Single : A 10 SER OG : rot 32:sc= 0.817 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 87:sc= 0.356 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.202 USER MOD Single : A 36 GLN :FLIP amide:sc= -18.5! C(o=-22!,f=-19!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -9.45! C(o=-9.4!,f=-12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -0.118 USER MOD Single : A 72 SER OG : rot 180:sc= -0.192 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 88:sc= 0.166 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0814 K(o=-0.081,f=-1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.502 14.209 -5.539 1.00 0.00 N ATOM 2 CA ALA A 1 0.943 14.232 -5.641 1.00 0.00 C ATOM 3 C ALA A 1 1.541 13.170 -4.729 1.00 0.00 C ATOM 4 O ALA A 1 1.112 13.017 -3.587 1.00 0.00 O ATOM 5 CB ALA A 1 1.457 15.619 -5.265 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.868 15.182 -5.576 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.897 13.660 -6.329 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.780 13.768 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 1 1.243 14.013 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.544 15.637 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.033 16.360 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.161 15.852 -4.242 1.00 0.00 H new ATOM 11 N ALA A 2 2.534 12.436 -5.236 1.00 0.00 N ATOM 12 CA ALA A 2 3.183 11.393 -4.467 1.00 0.00 C ATOM 13 C ALA A 2 4.504 11.908 -3.912 1.00 0.00 C ATOM 14 O ALA A 2 5.399 12.272 -4.672 1.00 0.00 O ATOM 15 CB ALA A 2 3.409 10.173 -5.355 1.00 0.00 C ATOM 0 H ALA A 2 2.901 12.552 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 2 2.548 11.104 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.897 9.388 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.450 9.809 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.041 10.449 -6.199 1.00 0.00 H new ATOM 21 N PRO A 3 4.623 11.939 -2.583 1.00 0.00 N ATOM 22 CA PRO A 3 5.803 12.395 -1.880 1.00 0.00 C ATOM 23 C PRO A 3 6.915 11.366 -2.027 1.00 0.00 C ATOM 24 O PRO A 3 6.742 10.355 -2.704 1.00 0.00 O ATOM 25 CB PRO A 3 5.365 12.524 -0.423 1.00 0.00 C ATOM 26 CG PRO A 3 4.281 11.455 -0.299 1.00 0.00 C ATOM 27 CD PRO A 3 3.591 11.519 -1.660 1.00 0.00 C ATOM 0 HA PRO A 3 6.190 13.338 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.191 12.344 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.978 13.519 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.704 10.469 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.590 11.671 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.181 10.549 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.760 12.225 -1.649 1.00 0.00 H new ATOM 35 N THR A 4 8.060 11.625 -1.391 1.00 0.00 N ATOM 36 CA THR A 4 9.189 10.720 -1.458 1.00 0.00 C ATOM 37 C THR A 4 9.224 9.842 -0.216 1.00 0.00 C ATOM 38 O THR A 4 9.516 10.320 0.878 1.00 0.00 O ATOM 39 CB THR A 4 10.479 11.526 -1.586 1.00 0.00 C ATOM 40 OG1 THR A 4 10.704 11.839 -2.943 1.00 0.00 O ATOM 41 CG2 THR A 4 11.648 10.703 -1.054 1.00 0.00 C ATOM 0 H THR A 4 8.221 12.458 -0.825 1.00 0.00 H new ATOM 0 HA THR A 4 9.090 10.075 -2.331 1.00 0.00 H new ATOM 0 HB THR A 4 10.391 12.447 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.531 12.358 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.569 11.278 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.474 10.460 -0.006 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.737 9.782 -1.630 1.00 0.00 H new ATOM 49 N ALA A 5 8.924 8.552 -0.387 1.00 0.00 N ATOM 50 CA ALA A 5 8.922 7.614 0.717 1.00 0.00 C ATOM 51 C ALA A 5 9.801 6.419 0.381 1.00 0.00 C ATOM 52 O ALA A 5 9.888 6.016 -0.777 1.00 0.00 O ATOM 53 CB ALA A 5 7.490 7.169 1.002 1.00 0.00 C ATOM 0 H ALA A 5 8.679 8.141 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 5 9.324 8.095 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.487 6.463 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.884 8.037 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.075 6.689 0.116 1.00 0.00 H new ATOM 59 N THR A 6 10.456 5.851 1.396 1.00 0.00 N ATOM 60 CA THR A 6 11.323 4.707 1.199 1.00 0.00 C ATOM 61 C THR A 6 10.696 3.468 1.822 1.00 0.00 C ATOM 62 O THR A 6 10.431 3.440 3.022 1.00 0.00 O ATOM 63 CB THR A 6 12.688 4.992 1.818 1.00 0.00 C ATOM 64 OG1 THR A 6 12.518 5.701 3.025 1.00 0.00 O ATOM 65 CG2 THR A 6 13.522 5.828 0.850 1.00 0.00 C ATOM 0 H THR A 6 10.396 6.172 2.362 1.00 0.00 H new ATOM 0 HA THR A 6 11.453 4.525 0.132 1.00 0.00 H new ATOM 0 HB THR A 6 13.199 4.051 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.395 5.883 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.497 6.032 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.654 5.280 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.011 6.770 0.649 1.00 0.00 H new ATOM 73 N VAL A 7 10.461 2.441 1.002 1.00 0.00 N ATOM 74 CA VAL A 7 9.868 1.206 1.474 1.00 0.00 C ATOM 75 C VAL A 7 10.878 0.074 1.359 1.00 0.00 C ATOM 76 O VAL A 7 11.661 0.031 0.412 1.00 0.00 O ATOM 77 CB VAL A 7 8.616 0.899 0.657 1.00 0.00 C ATOM 78 CG1 VAL A 7 7.928 -0.339 1.226 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.661 2.087 0.725 1.00 0.00 C ATOM 0 H VAL A 7 10.677 2.449 0.005 1.00 0.00 H new ATOM 0 HA VAL A 7 9.585 1.310 2.522 1.00 0.00 H new ATOM 0 HB VAL A 7 8.895 0.715 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.034 -0.559 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.610 -1.188 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.649 -0.155 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.766 1.869 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.382 2.270 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.152 2.972 0.319 1.00 0.00 H new ATOM 89 N THR A 8 10.860 -0.846 2.326 1.00 0.00 N ATOM 90 CA THR A 8 11.774 -1.971 2.324 1.00 0.00 C ATOM 91 C THR A 8 11.428 -2.918 1.183 1.00 0.00 C ATOM 92 O THR A 8 10.354 -2.817 0.593 1.00 0.00 O ATOM 93 CB THR A 8 11.695 -2.692 3.667 1.00 0.00 C ATOM 94 OG1 THR A 8 12.999 -2.959 4.133 1.00 0.00 O ATOM 95 CG2 THR A 8 10.937 -4.005 3.497 1.00 0.00 C ATOM 0 H THR A 8 10.218 -0.826 3.118 1.00 0.00 H new ATOM 0 HA THR A 8 12.793 -1.614 2.176 1.00 0.00 H new ATOM 0 HB THR A 8 11.172 -2.063 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.021 -3.844 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.881 -4.520 4.456 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.929 -3.799 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.459 -4.636 2.777 1.00 0.00 H new ATOM 103 N PRO A 9 12.342 -3.841 0.875 1.00 0.00 N ATOM 104 CA PRO A 9 12.186 -4.824 -0.175 1.00 0.00 C ATOM 105 C PRO A 9 11.170 -5.872 0.253 1.00 0.00 C ATOM 106 O PRO A 9 11.385 -6.586 1.230 1.00 0.00 O ATOM 107 CB PRO A 9 13.573 -5.442 -0.342 1.00 0.00 C ATOM 108 CG PRO A 9 14.166 -5.325 1.062 1.00 0.00 C ATOM 109 CD PRO A 9 13.614 -3.987 1.548 1.00 0.00 C ATOM 0 HA PRO A 9 11.824 -4.393 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.517 -6.479 -0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.169 -4.905 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.854 -6.149 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.256 -5.331 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.491 -3.981 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.289 -3.168 1.299 1.00 0.00 H new ATOM 117 N SER A 10 10.058 -5.963 -0.481 1.00 0.00 N ATOM 118 CA SER A 10 9.016 -6.922 -0.172 1.00 0.00 C ATOM 119 C SER A 10 8.654 -7.711 -1.423 1.00 0.00 C ATOM 120 O SER A 10 7.652 -8.423 -1.441 1.00 0.00 O ATOM 121 CB SER A 10 7.797 -6.188 0.376 1.00 0.00 C ATOM 122 OG SER A 10 6.623 -6.843 -0.050 1.00 0.00 O ATOM 0 H SER A 10 9.864 -5.378 -1.294 1.00 0.00 H new ATOM 0 HA SER A 10 9.372 -7.622 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.836 -6.159 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.796 -5.154 0.030 1.00 0.00 H new ATOM 0 HG SER A 10 6.797 -7.804 -0.134 1.00 0.00 H new ATOM 128 N SER A 11 9.473 -7.584 -2.469 1.00 0.00 N ATOM 129 CA SER A 11 9.235 -8.286 -3.714 1.00 0.00 C ATOM 130 C SER A 11 9.975 -9.616 -3.706 1.00 0.00 C ATOM 131 O SER A 11 11.200 -9.649 -3.798 1.00 0.00 O ATOM 132 CB SER A 11 9.696 -7.418 -4.882 1.00 0.00 C ATOM 133 OG SER A 11 9.281 -6.087 -4.670 1.00 0.00 O ATOM 0 H SER A 11 10.307 -6.997 -2.470 1.00 0.00 H new ATOM 0 HA SER A 11 8.169 -8.487 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.781 -7.462 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.280 -7.796 -5.816 1.00 0.00 H new ATOM 0 HG SER A 11 9.578 -5.529 -5.419 1.00 0.00 H new ATOM 139 N GLY A 12 9.227 -10.717 -3.598 1.00 0.00 N ATOM 140 CA GLY A 12 9.819 -12.040 -3.580 1.00 0.00 C ATOM 141 C GLY A 12 9.978 -12.527 -2.147 1.00 0.00 C ATOM 142 O GLY A 12 10.822 -13.376 -1.867 1.00 0.00 O ATOM 0 H GLY A 12 8.210 -10.709 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.192 -12.734 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.790 -12.018 -4.074 1.00 0.00 H new ATOM 146 N LEU A 13 9.164 -11.986 -1.237 1.00 0.00 N ATOM 147 CA LEU A 13 9.218 -12.367 0.160 1.00 0.00 C ATOM 148 C LEU A 13 7.994 -13.197 0.517 1.00 0.00 C ATOM 149 O LEU A 13 6.873 -12.839 0.163 1.00 0.00 O ATOM 150 CB LEU A 13 9.291 -11.112 1.026 1.00 0.00 C ATOM 151 CG LEU A 13 10.163 -10.068 0.335 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.805 -9.166 1.385 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.254 -10.768 -0.471 1.00 0.00 C ATOM 0 H LEU A 13 8.460 -11.280 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 13 10.107 -12.971 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.290 -10.713 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.704 -11.356 2.005 1.00 0.00 H new ATOM 0 HG LEU A 13 9.548 -9.466 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.428 -8.420 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.026 -8.665 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.420 -9.767 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.877 -10.022 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.870 -11.371 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.795 -11.412 -1.221 1.00 0.00 H new ATOM 165 N SER A 14 8.211 -14.311 1.222 1.00 0.00 N ATOM 166 CA SER A 14 7.126 -15.183 1.623 1.00 0.00 C ATOM 167 C SER A 14 6.243 -14.475 2.641 1.00 0.00 C ATOM 168 O SER A 14 6.700 -13.580 3.347 1.00 0.00 O ATOM 169 CB SER A 14 7.700 -16.471 2.208 1.00 0.00 C ATOM 170 OG SER A 14 6.698 -17.462 2.234 1.00 0.00 O ATOM 0 H SER A 14 9.134 -14.623 1.523 1.00 0.00 H new ATOM 0 HA SER A 14 6.516 -15.433 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.546 -16.810 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.074 -16.290 3.216 1.00 0.00 H new ATOM 0 HG SER A 14 7.066 -18.290 2.608 1.00 0.00 H new ATOM 176 N ASP A 15 4.973 -14.880 2.715 1.00 0.00 N ATOM 177 CA ASP A 15 4.034 -14.285 3.644 1.00 0.00 C ATOM 178 C ASP A 15 4.676 -14.162 5.018 1.00 0.00 C ATOM 179 O ASP A 15 5.499 -14.993 5.397 1.00 0.00 O ATOM 180 CB ASP A 15 2.773 -15.141 3.711 1.00 0.00 C ATOM 181 CG ASP A 15 3.121 -16.623 3.703 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.761 -17.050 2.718 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.741 -17.300 4.683 1.00 0.00 O ATOM 0 H ASP A 15 4.579 -15.621 2.136 1.00 0.00 H new ATOM 0 HA ASP A 15 3.761 -13.287 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.213 -14.900 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.127 -14.911 2.864 1.00 0.00 H new ATOM 188 N GLY A 16 4.300 -13.122 5.766 1.00 0.00 N ATOM 189 CA GLY A 16 4.844 -12.901 7.091 1.00 0.00 C ATOM 190 C GLY A 16 5.904 -11.808 7.051 1.00 0.00 C ATOM 191 O GLY A 16 6.242 -11.230 8.082 1.00 0.00 O ATOM 0 H GLY A 16 3.619 -12.423 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.046 -12.618 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.279 -13.825 7.472 1.00 0.00 H new ATOM 195 N THR A 17 6.428 -11.526 5.856 1.00 0.00 N ATOM 196 CA THR A 17 7.443 -10.505 5.693 1.00 0.00 C ATOM 197 C THR A 17 6.888 -9.150 6.105 1.00 0.00 C ATOM 198 O THR A 17 5.708 -8.871 5.900 1.00 0.00 O ATOM 199 CB THR A 17 7.907 -10.480 4.239 1.00 0.00 C ATOM 200 OG1 THR A 17 8.603 -11.671 3.947 1.00 0.00 O ATOM 201 CG2 THR A 17 8.830 -9.284 4.021 1.00 0.00 C ATOM 0 H THR A 17 6.160 -11.996 4.991 1.00 0.00 H new ATOM 0 HA THR A 17 8.297 -10.732 6.331 1.00 0.00 H new ATOM 0 HB THR A 17 7.041 -10.396 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.966 -12.362 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.162 -9.265 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.292 -8.363 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.696 -9.368 4.677 1.00 0.00 H new ATOM 209 N VAL A 18 7.742 -8.306 6.689 1.00 0.00 N ATOM 210 CA VAL A 18 7.336 -6.987 7.127 1.00 0.00 C ATOM 211 C VAL A 18 7.980 -5.929 6.242 1.00 0.00 C ATOM 212 O VAL A 18 9.172 -6.004 5.950 1.00 0.00 O ATOM 213 CB VAL A 18 7.737 -6.789 8.586 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.257 -6.838 8.706 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.231 -5.435 9.073 1.00 0.00 C ATOM 0 H VAL A 18 8.723 -8.523 6.866 1.00 0.00 H new ATOM 0 HA VAL A 18 6.253 -6.890 7.046 1.00 0.00 H new ATOM 0 HB VAL A 18 7.299 -7.580 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.544 -6.697 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.618 -7.806 8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.696 -6.047 8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.517 -5.293 10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.669 -4.643 8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.145 -5.400 8.987 1.00 0.00 H new ATOM 225 N VAL A 19 7.189 -4.942 5.816 1.00 0.00 N ATOM 226 CA VAL A 19 7.685 -3.876 4.968 1.00 0.00 C ATOM 227 C VAL A 19 7.798 -2.589 5.773 1.00 0.00 C ATOM 228 O VAL A 19 7.071 -2.397 6.745 1.00 0.00 O ATOM 229 CB VAL A 19 6.743 -3.691 3.782 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.410 -2.801 2.737 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.429 -5.051 3.165 1.00 0.00 C ATOM 0 H VAL A 19 6.199 -4.866 6.050 1.00 0.00 H new ATOM 0 HA VAL A 19 8.675 -4.135 4.592 1.00 0.00 H new ATOM 0 HB VAL A 19 5.819 -3.224 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.738 -2.668 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.635 -1.829 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.334 -3.269 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.756 -4.919 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.353 -5.519 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.953 -5.688 3.911 1.00 0.00 H new ATOM 241 N LYS A 20 8.713 -1.706 5.366 1.00 0.00 N ATOM 242 CA LYS A 20 8.914 -0.445 6.050 1.00 0.00 C ATOM 243 C LYS A 20 8.660 0.710 5.093 1.00 0.00 C ATOM 244 O LYS A 20 9.441 0.941 4.172 1.00 0.00 O ATOM 245 CB LYS A 20 10.337 -0.388 6.600 1.00 0.00 C ATOM 246 CG LYS A 20 10.337 0.358 7.932 1.00 0.00 C ATOM 247 CD LYS A 20 10.248 1.859 7.676 1.00 0.00 C ATOM 248 CE LYS A 20 11.199 2.593 8.617 1.00 0.00 C ATOM 249 NZ LYS A 20 12.513 2.795 7.988 1.00 0.00 N ATOM 0 H LYS A 20 9.324 -1.850 4.562 1.00 0.00 H new ATOM 0 HA LYS A 20 8.212 -0.362 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.727 -1.397 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.993 0.114 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.495 0.032 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.244 0.127 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.504 2.078 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.226 2.205 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.772 3.557 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.317 2.022 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.141 3.296 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.929 1.872 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.400 3.360 7.122 1.00 0.00 H new ATOM 263 N VAL A 21 7.562 1.438 5.312 1.00 0.00 N ATOM 264 CA VAL A 21 7.209 2.563 4.471 1.00 0.00 C ATOM 265 C VAL A 21 7.546 3.865 5.184 1.00 0.00 C ATOM 266 O VAL A 21 7.041 4.127 6.273 1.00 0.00 O ATOM 267 CB VAL A 21 5.722 2.500 4.135 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.536 2.619 2.625 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.149 1.170 4.614 1.00 0.00 C ATOM 0 H VAL A 21 6.905 1.260 6.071 1.00 0.00 H new ATOM 0 HA VAL A 21 7.779 2.521 3.543 1.00 0.00 H new ATOM 0 HB VAL A 21 5.202 3.320 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.474 2.574 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.946 3.569 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.055 1.799 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.087 1.124 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.669 0.350 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.282 1.084 5.692 1.00 0.00 H new ATOM 279 N ALA A 22 8.404 4.681 4.567 1.00 0.00 N ATOM 280 CA ALA A 22 8.804 5.948 5.145 1.00 0.00 C ATOM 281 C ALA A 22 8.611 7.063 4.127 1.00 0.00 C ATOM 282 O ALA A 22 9.249 7.064 3.077 1.00 0.00 O ATOM 283 CB ALA A 22 10.262 5.867 5.588 1.00 0.00 C ATOM 0 H ALA A 22 8.832 4.478 3.664 1.00 0.00 H new ATOM 0 HA ALA A 22 8.185 6.166 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.564 6.820 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.373 5.077 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.892 5.646 4.727 1.00 0.00 H new ATOM 289 N GLY A 23 7.728 8.015 4.439 1.00 0.00 N ATOM 290 CA GLY A 23 7.460 9.126 3.548 1.00 0.00 C ATOM 291 C GLY A 23 8.484 10.232 3.762 1.00 0.00 C ATOM 292 O GLY A 23 8.963 10.431 4.875 1.00 0.00 O ATOM 0 H GLY A 23 7.190 8.031 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.492 8.787 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.456 9.511 3.727 1.00 0.00 H new ATOM 296 N ALA A 24 8.817 10.952 2.688 1.00 0.00 N ATOM 297 CA ALA A 24 9.781 12.032 2.762 1.00 0.00 C ATOM 298 C ALA A 24 9.399 13.132 1.782 1.00 0.00 C ATOM 299 O ALA A 24 9.481 12.942 0.570 1.00 0.00 O ATOM 300 CB ALA A 24 11.174 11.491 2.452 1.00 0.00 C ATOM 0 H ALA A 24 8.427 10.799 1.758 1.00 0.00 H new ATOM 0 HA ALA A 24 9.785 12.454 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.900 12.302 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.435 10.721 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.183 11.063 1.449 1.00 0.00 H new ATOM 306 N GLY A 25 8.980 14.285 2.307 1.00 0.00 N ATOM 307 CA GLY A 25 8.589 15.404 1.474 1.00 0.00 C ATOM 308 C GLY A 25 7.074 15.450 1.329 1.00 0.00 C ATOM 309 O GLY A 25 6.553 16.119 0.440 1.00 0.00 O ATOM 0 H GLY A 25 8.906 14.460 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.948 16.335 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.053 15.315 0.492 1.00 0.00 H new ATOM 313 N LEU A 26 6.368 14.736 2.209 1.00 0.00 N ATOM 314 CA LEU A 26 4.919 14.698 2.176 1.00 0.00 C ATOM 315 C LEU A 26 4.354 15.826 3.027 1.00 0.00 C ATOM 316 O LEU A 26 5.099 16.524 3.710 1.00 0.00 O ATOM 317 CB LEU A 26 4.435 13.342 2.683 1.00 0.00 C ATOM 318 CG LEU A 26 5.621 12.390 2.801 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.322 12.612 4.139 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.127 10.949 2.718 1.00 0.00 C ATOM 0 H LEU A 26 6.786 14.177 2.953 1.00 0.00 H new ATOM 0 HA LEU A 26 4.571 14.833 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.949 13.456 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.692 12.931 2.000 1.00 0.00 H new ATOM 0 HG LEU A 26 6.322 12.581 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.169 11.932 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.676 13.641 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.622 12.422 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.974 10.268 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.426 10.757 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.628 10.790 1.762 1.00 0.00 H new ATOM 332 N GLN A 27 3.031 16.002 2.985 1.00 0.00 N ATOM 333 CA GLN A 27 2.374 17.042 3.750 1.00 0.00 C ATOM 334 C GLN A 27 2.765 16.930 5.217 1.00 0.00 C ATOM 335 O GLN A 27 2.539 15.898 5.845 1.00 0.00 O ATOM 336 CB GLN A 27 0.863 16.917 3.583 1.00 0.00 C ATOM 337 CG GLN A 27 0.464 17.388 2.187 1.00 0.00 C ATOM 338 CD GLN A 27 -1.004 17.096 1.914 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.351 15.810 1.824 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -1.809 18.016 1.787 1.00 0.00 N flip ATOM 0 H GLN A 27 2.399 15.430 2.424 1.00 0.00 H new ATOM 0 HA GLN A 27 2.688 18.020 3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.555 15.882 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.352 17.513 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.650 18.458 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.083 16.890 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.494 18.983 1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.792 17.812 1.604 1.00 0.00 H new ATOM 349 N ALA A 28 3.353 17.997 5.763 1.00 0.00 N ATOM 350 CA ALA A 28 3.773 18.013 7.150 1.00 0.00 C ATOM 351 C ALA A 28 2.553 18.099 8.056 1.00 0.00 C ATOM 352 O ALA A 28 1.693 18.956 7.863 1.00 0.00 O ATOM 353 CB ALA A 28 4.706 19.197 7.385 1.00 0.00 C ATOM 0 H ALA A 28 3.546 18.861 5.256 1.00 0.00 H new ATOM 0 HA ALA A 28 4.310 17.093 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.022 19.210 8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.581 19.104 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.182 20.124 7.153 1.00 0.00 H new ATOM 359 N GLY A 29 2.478 17.208 9.048 1.00 0.00 N ATOM 360 CA GLY A 29 1.363 17.192 9.973 1.00 0.00 C ATOM 361 C GLY A 29 0.135 16.583 9.310 1.00 0.00 C ATOM 362 O GLY A 29 -0.959 16.622 9.869 1.00 0.00 O ATOM 0 H GLY A 29 3.182 16.491 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.627 16.618 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.141 18.207 10.303 1.00 0.00 H new ATOM 366 N THR A 30 0.318 16.020 8.114 1.00 0.00 N ATOM 367 CA THR A 30 -0.775 15.408 7.386 1.00 0.00 C ATOM 368 C THR A 30 -0.823 13.916 7.680 1.00 0.00 C ATOM 369 O THR A 30 0.216 13.269 7.794 1.00 0.00 O ATOM 370 CB THR A 30 -0.592 15.659 5.891 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.560 16.584 5.449 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.758 14.346 5.131 1.00 0.00 C ATOM 0 H THR A 30 1.218 15.980 7.635 1.00 0.00 H new ATOM 0 HA THR A 30 -1.720 15.849 7.704 1.00 0.00 H new ATOM 0 HB THR A 30 0.405 16.061 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.661 16.513 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.628 14.524 4.064 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.010 13.630 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.755 13.944 5.312 1.00 0.00 H new ATOM 380 N ALA A 31 -2.035 13.369 7.801 1.00 0.00 N ATOM 381 CA ALA A 31 -2.213 11.959 8.081 1.00 0.00 C ATOM 382 C ALA A 31 -2.239 11.174 6.778 1.00 0.00 C ATOM 383 O ALA A 31 -2.647 11.697 5.744 1.00 0.00 O ATOM 384 CB ALA A 31 -3.509 11.756 8.861 1.00 0.00 C ATOM 0 H ALA A 31 -2.906 13.892 7.707 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.381 11.596 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.644 10.695 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.460 12.309 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.350 12.118 8.270 1.00 0.00 H new ATOM 390 N TYR A 32 -1.801 9.914 6.829 1.00 0.00 N ATOM 391 CA TYR A 32 -1.776 9.067 5.653 1.00 0.00 C ATOM 392 C TYR A 32 -2.298 7.681 6.004 1.00 0.00 C ATOM 393 O TYR A 32 -2.046 7.178 7.096 1.00 0.00 O ATOM 394 CB TYR A 32 -0.349 8.987 5.117 1.00 0.00 C ATOM 395 CG TYR A 32 0.099 10.243 4.407 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.475 10.595 3.180 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.088 11.053 4.977 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.058 11.759 2.522 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.504 12.217 4.319 1.00 0.00 C ATOM 400 CZ TYR A 32 0.931 12.570 3.091 1.00 0.00 C ATOM 401 OH TYR A 32 1.336 13.703 2.450 1.00 0.00 O ATOM 0 H TYR A 32 -1.460 9.464 7.679 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.418 9.490 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.331 8.785 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.274 8.144 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.239 9.970 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.530 10.780 5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.500 12.031 1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.267 12.843 4.759 1.00 0.00 H new ATOM 0 HH TYR A 32 0.647 13.982 1.812 1.00 0.00 H new ATOM 411 N ASP A 33 -3.029 7.064 5.072 1.00 0.00 N ATOM 412 CA ASP A 33 -3.583 5.742 5.288 1.00 0.00 C ATOM 413 C ASP A 33 -2.794 4.716 4.487 1.00 0.00 C ATOM 414 O ASP A 33 -2.801 4.746 3.259 1.00 0.00 O ATOM 415 CB ASP A 33 -5.053 5.735 4.876 1.00 0.00 C ATOM 416 CG ASP A 33 -5.955 5.974 6.078 1.00 0.00 C ATOM 417 OD1 ASP A 33 -6.070 7.154 6.475 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.513 4.973 6.578 1.00 0.00 O ATOM 0 H ASP A 33 -3.247 7.467 4.161 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.513 5.481 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.228 6.506 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.301 4.779 4.415 1.00 0.00 H new ATOM 423 N VAL A 34 -2.111 3.808 5.187 1.00 0.00 N ATOM 424 CA VAL A 34 -1.321 2.779 4.541 1.00 0.00 C ATOM 425 C VAL A 34 -2.096 1.470 4.522 1.00 0.00 C ATOM 426 O VAL A 34 -2.788 1.142 5.483 1.00 0.00 O ATOM 427 CB VAL A 34 0.003 2.614 5.282 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.118 2.337 4.278 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.318 3.893 6.052 1.00 0.00 C ATOM 0 H VAL A 34 -2.095 3.772 6.206 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.111 3.069 3.511 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.073 1.779 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.063 2.219 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.894 1.423 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.195 3.171 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.264 3.775 6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.393 4.728 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.478 4.091 6.770 1.00 0.00 H new ATOM 439 N GLY A 35 -1.979 0.719 3.423 1.00 0.00 N ATOM 440 CA GLY A 35 -2.671 -0.547 3.291 1.00 0.00 C ATOM 441 C GLY A 35 -2.127 -1.323 2.099 1.00 0.00 C ATOM 442 O GLY A 35 -1.481 -0.749 1.225 1.00 0.00 O ATOM 0 H GLY A 35 -1.409 0.974 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.549 -1.133 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.740 -0.374 3.164 1.00 0.00 H new ATOM 446 N GLN A 36 -2.390 -2.631 2.067 1.00 0.00 N ATOM 447 CA GLN A 36 -1.925 -3.477 0.985 1.00 0.00 C ATOM 448 C GLN A 36 -3.014 -3.611 -0.070 1.00 0.00 C ATOM 449 O GLN A 36 -4.094 -4.126 0.212 1.00 0.00 O ATOM 450 CB GLN A 36 -1.540 -4.845 1.542 1.00 0.00 C ATOM 451 CG GLN A 36 -0.963 -5.706 0.422 1.00 0.00 C ATOM 452 CD GLN A 36 -0.663 -7.113 0.919 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.524 -7.625 0.584 1.00 0.00 O flip ATOM 454 NE2 GLN A 36 -1.488 -7.724 1.594 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.925 -3.121 2.784 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.048 -3.029 0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.808 -4.731 2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.413 -5.332 1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.669 -5.752 -0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.051 -5.249 0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.382 -7.289 1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.279 -8.666 1.925 1.00 0.00 H new ATOM 463 N CYS A 37 -2.728 -3.146 -1.288 1.00 0.00 N ATOM 464 CA CYS A 37 -3.680 -3.217 -2.378 1.00 0.00 C ATOM 465 C CYS A 37 -3.244 -4.280 -3.375 1.00 0.00 C ATOM 466 O CYS A 37 -2.070 -4.640 -3.427 1.00 0.00 O ATOM 467 CB CYS A 37 -3.782 -1.852 -3.052 1.00 0.00 C ATOM 468 SG CYS A 37 -5.097 -0.800 -2.389 1.00 0.00 S ATOM 0 H CYS A 37 -1.837 -2.715 -1.536 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.662 -3.491 -1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.829 -1.334 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.950 -1.997 -4.119 1.00 0.00 H new ATOM 473 N ALA A 38 -4.193 -4.783 -4.168 1.00 0.00 N ATOM 474 CA ALA A 38 -3.903 -5.802 -5.156 1.00 0.00 C ATOM 475 C ALA A 38 -4.811 -5.621 -6.365 1.00 0.00 C ATOM 476 O ALA A 38 -6.012 -5.412 -6.215 1.00 0.00 O ATOM 477 CB ALA A 38 -4.098 -7.182 -4.535 1.00 0.00 C ATOM 0 H ALA A 38 -5.171 -4.494 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.868 -5.710 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.880 -7.949 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.425 -7.297 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.129 -7.287 -4.197 1.00 0.00 H new ATOM 483 N TRP A 39 -4.234 -5.701 -7.566 1.00 0.00 N ATOM 484 CA TRP A 39 -4.996 -5.547 -8.788 1.00 0.00 C ATOM 485 C TRP A 39 -5.937 -6.730 -8.965 1.00 0.00 C ATOM 486 O TRP A 39 -5.503 -7.880 -8.950 1.00 0.00 O ATOM 487 CB TRP A 39 -4.040 -5.435 -9.972 1.00 0.00 C ATOM 488 CG TRP A 39 -4.597 -5.905 -11.278 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.897 -5.845 -11.638 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.897 -6.508 -12.409 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.050 -6.366 -12.906 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.845 -6.790 -13.429 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.559 -6.845 -12.677 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.487 -7.375 -14.647 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.188 -7.432 -13.896 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.147 -7.697 -14.881 1.00 0.00 C ATOM 0 H TRP A 39 -3.239 -5.872 -7.709 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.595 -4.638 -8.734 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.736 -4.394 -10.077 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.141 -6.009 -9.750 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.695 -5.450 -11.027 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.942 -6.430 -13.396 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.803 -6.649 -11.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.237 -7.576 -15.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.153 -7.682 -14.076 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.853 -8.148 -15.817 1.00 0.00 H new ATOM 507 N VAL A 40 -7.231 -6.445 -9.133 1.00 0.00 N ATOM 508 CA VAL A 40 -8.226 -7.483 -9.311 1.00 0.00 C ATOM 509 C VAL A 40 -8.827 -7.385 -10.706 1.00 0.00 C ATOM 510 O VAL A 40 -9.137 -8.402 -11.323 1.00 0.00 O ATOM 511 CB VAL A 40 -9.308 -7.338 -8.244 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.815 -7.945 -6.934 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.620 -5.859 -8.034 1.00 0.00 C ATOM 0 H VAL A 40 -7.606 -5.497 -9.148 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.760 -8.463 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.210 -7.857 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.587 -7.842 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.592 -9.001 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.913 -7.426 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.393 -5.755 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.718 -5.339 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.972 -5.425 -8.970 1.00 0.00 H new ATOM 523 N ASP A 41 -8.992 -6.157 -11.202 1.00 0.00 N ATOM 524 CA ASP A 41 -9.554 -5.934 -12.519 1.00 0.00 C ATOM 525 C ASP A 41 -8.983 -4.655 -13.114 1.00 0.00 C ATOM 526 O ASP A 41 -8.168 -3.986 -12.482 1.00 0.00 O ATOM 527 CB ASP A 41 -11.074 -5.849 -12.414 1.00 0.00 C ATOM 528 CG ASP A 41 -11.738 -6.946 -13.235 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.011 -7.888 -13.616 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.960 -6.821 -13.465 1.00 0.00 O ATOM 0 H ASP A 41 -8.741 -5.304 -10.703 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.293 -6.764 -13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.376 -5.937 -11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.413 -4.873 -12.762 1.00 0.00 H new ATOM 535 N THR A 42 -9.411 -4.316 -14.332 1.00 0.00 N ATOM 536 CA THR A 42 -8.938 -3.120 -14.999 1.00 0.00 C ATOM 537 C THR A 42 -9.370 -1.886 -14.220 1.00 0.00 C ATOM 538 O THR A 42 -10.553 -1.557 -14.178 1.00 0.00 O ATOM 539 CB THR A 42 -9.489 -3.081 -16.421 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.835 -4.054 -17.205 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.249 -1.698 -17.022 1.00 0.00 C ATOM 0 H THR A 42 -10.086 -4.860 -14.870 1.00 0.00 H new ATOM 0 HA THR A 42 -7.849 -3.132 -15.044 1.00 0.00 H new ATOM 0 HB THR A 42 -10.559 -3.288 -16.402 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.190 -4.031 -18.118 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.642 -1.670 -18.038 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.754 -0.945 -16.416 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.179 -1.490 -17.041 1.00 0.00 H new ATOM 549 N GLY A 43 -8.405 -1.201 -13.600 1.00 0.00 N ATOM 550 CA GLY A 43 -8.694 -0.009 -12.828 1.00 0.00 C ATOM 551 C GLY A 43 -9.450 -0.374 -11.558 1.00 0.00 C ATOM 552 O GLY A 43 -9.932 0.504 -10.845 1.00 0.00 O ATOM 0 H GLY A 43 -7.418 -1.459 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.765 0.502 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.286 0.685 -13.425 1.00 0.00 H new ATOM 556 N VAL A 44 -9.553 -1.675 -11.277 1.00 0.00 N ATOM 557 CA VAL A 44 -10.248 -2.150 -10.097 1.00 0.00 C ATOM 558 C VAL A 44 -9.246 -2.725 -9.106 1.00 0.00 C ATOM 559 O VAL A 44 -8.732 -3.823 -9.307 1.00 0.00 O ATOM 560 CB VAL A 44 -11.274 -3.204 -10.502 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.028 -3.682 -9.265 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.261 -2.597 -11.496 1.00 0.00 C ATOM 0 H VAL A 44 -9.159 -2.415 -11.859 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.769 -1.321 -9.618 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.764 -4.048 -10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.761 -4.435 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.324 -4.115 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.538 -2.838 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.994 -3.349 -11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.771 -1.753 -11.033 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.723 -2.255 -12.380 1.00 0.00 H new ATOM 572 N LEU A 45 -8.970 -1.980 -8.033 1.00 0.00 N ATOM 573 CA LEU A 45 -8.034 -2.418 -7.018 1.00 0.00 C ATOM 574 C LEU A 45 -8.790 -2.852 -5.770 1.00 0.00 C ATOM 575 O LEU A 45 -9.920 -2.424 -5.546 1.00 0.00 O ATOM 576 CB LEU A 45 -7.065 -1.284 -6.696 1.00 0.00 C ATOM 577 CG LEU A 45 -5.746 -1.519 -7.425 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.036 -0.185 -7.636 1.00 0.00 C ATOM 579 CD2 LEU A 45 -4.861 -2.441 -6.592 1.00 0.00 C ATOM 0 H LEU A 45 -9.388 -1.067 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.465 -3.271 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.494 -0.328 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.894 -1.232 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.943 -1.982 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.093 -0.353 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.668 0.473 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.839 0.279 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.918 -2.609 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.664 -1.979 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.368 -3.394 -6.443 1.00 0.00 H new ATOM 591 N ALA A 46 -8.163 -3.704 -4.956 1.00 0.00 N ATOM 592 CA ALA A 46 -8.778 -4.191 -3.738 1.00 0.00 C ATOM 593 C ALA A 46 -7.774 -4.137 -2.596 1.00 0.00 C ATOM 594 O ALA A 46 -6.654 -4.626 -2.728 1.00 0.00 O ATOM 595 CB ALA A 46 -9.274 -5.618 -3.955 1.00 0.00 C ATOM 0 H ALA A 46 -7.225 -4.067 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.628 -3.560 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.737 -5.986 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.007 -5.630 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.433 -6.259 -4.219 1.00 0.00 H new ATOM 601 N CYS A 47 -8.177 -3.539 -1.472 1.00 0.00 N ATOM 602 CA CYS A 47 -7.313 -3.423 -0.315 1.00 0.00 C ATOM 603 C CYS A 47 -7.786 -4.371 0.778 1.00 0.00 C ATOM 604 O CYS A 47 -8.956 -4.748 0.811 1.00 0.00 O ATOM 605 CB CYS A 47 -7.318 -1.980 0.181 1.00 0.00 C ATOM 606 SG CYS A 47 -5.919 -0.995 -0.407 1.00 0.00 S ATOM 0 H CYS A 47 -9.102 -3.129 -1.348 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.294 -3.695 -0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.245 -1.501 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.316 -1.981 1.271 1.00 0.00 H new ATOM 611 N ASN A 48 -6.875 -4.757 1.674 1.00 0.00 N ATOM 612 CA ASN A 48 -7.205 -5.657 2.760 1.00 0.00 C ATOM 613 C ASN A 48 -7.028 -4.946 4.095 1.00 0.00 C ATOM 614 O ASN A 48 -5.939 -4.469 4.407 1.00 0.00 O ATOM 615 CB ASN A 48 -6.314 -6.893 2.684 1.00 0.00 C ATOM 616 CG ASN A 48 -5.006 -6.667 3.428 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.287 -5.712 3.145 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.700 -7.549 4.383 1.00 0.00 N ATOM 0 H ASN A 48 -5.901 -4.454 1.661 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.246 -5.969 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.836 -7.749 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.107 -7.133 1.641 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.836 -7.446 4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.331 -8.326 4.581 1.00 0.00 H new ATOM 625 N PRO A 49 -8.103 -4.879 4.883 1.00 0.00 N ATOM 626 CA PRO A 49 -8.121 -4.246 6.185 1.00 0.00 C ATOM 627 C PRO A 49 -7.356 -5.105 7.181 1.00 0.00 C ATOM 628 O PRO A 49 -7.280 -4.771 8.361 1.00 0.00 O ATOM 629 CB PRO A 49 -9.600 -4.160 6.557 1.00 0.00 C ATOM 630 CG PRO A 49 -10.199 -5.373 5.847 1.00 0.00 C ATOM 631 CD PRO A 49 -9.398 -5.430 4.548 1.00 0.00 C ATOM 0 HA PRO A 49 -7.650 -3.263 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.749 -4.208 7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.050 -3.228 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.084 -6.284 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.265 -5.247 5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.309 -6.453 4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.881 -4.852 3.760 1.00 0.00 H new ATOM 639 N ALA A 50 -6.791 -6.216 6.703 1.00 0.00 N ATOM 640 CA ALA A 50 -6.039 -7.117 7.553 1.00 0.00 C ATOM 641 C ALA A 50 -4.596 -6.644 7.658 1.00 0.00 C ATOM 642 O ALA A 50 -3.889 -7.007 8.595 1.00 0.00 O ATOM 643 CB ALA A 50 -6.104 -8.529 6.978 1.00 0.00 C ATOM 0 H ALA A 50 -6.845 -6.506 5.727 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.471 -7.125 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.539 -9.208 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.143 -8.855 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.677 -8.534 5.975 1.00 0.00 H new ATOM 649 N ASP A 51 -4.161 -5.831 6.692 1.00 0.00 N ATOM 650 CA ASP A 51 -2.807 -5.314 6.681 1.00 0.00 C ATOM 651 C ASP A 51 -2.835 -3.801 6.520 1.00 0.00 C ATOM 652 O ASP A 51 -1.902 -3.216 5.974 1.00 0.00 O ATOM 653 CB ASP A 51 -2.025 -5.965 5.544 1.00 0.00 C ATOM 654 CG ASP A 51 -1.634 -7.393 5.901 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.880 -7.774 7.065 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.097 -8.075 5.002 1.00 0.00 O ATOM 0 H ASP A 51 -4.736 -5.521 5.909 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.315 -5.550 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.628 -5.965 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.130 -5.381 5.332 1.00 0.00 H new ATOM 661 N PHE A 52 -3.909 -3.167 6.996 1.00 0.00 N ATOM 662 CA PHE A 52 -4.050 -1.728 6.900 1.00 0.00 C ATOM 663 C PHE A 52 -3.554 -1.075 8.183 1.00 0.00 C ATOM 664 O PHE A 52 -4.112 -1.302 9.254 1.00 0.00 O ATOM 665 CB PHE A 52 -5.513 -1.377 6.645 1.00 0.00 C ATOM 666 CG PHE A 52 -6.197 -0.741 7.831 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.748 0.492 8.320 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.281 -1.383 8.442 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.384 1.083 9.419 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.916 -0.793 9.540 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.468 0.440 10.029 1.00 0.00 C ATOM 0 H PHE A 52 -4.691 -3.637 7.452 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.451 -1.354 6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.572 -0.698 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.052 -2.283 6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.911 0.987 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.627 -2.334 8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.038 2.034 9.796 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.752 -1.289 10.011 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.959 0.895 10.877 1.00 0.00 H new ATOM 681 N SER A 53 -2.502 -0.260 8.072 1.00 0.00 N ATOM 682 CA SER A 53 -1.939 0.421 9.220 1.00 0.00 C ATOM 683 C SER A 53 -2.230 1.912 9.130 1.00 0.00 C ATOM 684 O SER A 53 -2.908 2.360 8.208 1.00 0.00 O ATOM 685 CB SER A 53 -0.436 0.166 9.275 1.00 0.00 C ATOM 686 OG SER A 53 0.099 0.759 10.437 1.00 0.00 O ATOM 0 H SER A 53 -2.028 -0.061 7.191 1.00 0.00 H new ATOM 0 HA SER A 53 -2.393 0.037 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.238 -0.906 9.277 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.046 0.578 8.389 1.00 0.00 H new ATOM 0 HG SER A 53 1.064 0.594 10.474 1.00 0.00 H new ATOM 692 N SER A 54 -1.714 2.681 10.091 1.00 0.00 N ATOM 693 CA SER A 54 -1.919 4.116 10.114 1.00 0.00 C ATOM 694 C SER A 54 -0.680 4.806 10.664 1.00 0.00 C ATOM 695 O SER A 54 0.075 4.213 11.432 1.00 0.00 O ATOM 696 CB SER A 54 -3.143 4.440 10.966 1.00 0.00 C ATOM 697 OG SER A 54 -2.757 4.552 12.318 1.00 0.00 O ATOM 0 H SER A 54 -1.150 2.325 10.863 1.00 0.00 H new ATOM 0 HA SER A 54 -2.092 4.479 9.101 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.599 5.371 10.628 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.894 3.658 10.855 1.00 0.00 H new ATOM 0 HG SER A 54 -3.542 4.762 12.866 1.00 0.00 H new ATOM 703 N VAL A 55 -0.472 6.065 10.271 1.00 0.00 N ATOM 704 CA VAL A 55 0.671 6.830 10.726 1.00 0.00 C ATOM 705 C VAL A 55 0.471 8.302 10.394 1.00 0.00 C ATOM 706 O VAL A 55 -0.243 8.636 9.451 1.00 0.00 O ATOM 707 CB VAL A 55 1.937 6.293 10.064 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.775 6.334 8.547 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.129 7.155 10.472 1.00 0.00 C ATOM 0 H VAL A 55 -1.089 6.570 9.635 1.00 0.00 H new ATOM 0 HA VAL A 55 0.773 6.733 11.807 1.00 0.00 H new ATOM 0 HB VAL A 55 2.106 5.265 10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.679 5.951 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.924 5.719 8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.606 7.362 8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.034 6.772 10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.960 8.183 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.245 7.126 11.555 1.00 0.00 H new ATOM 719 N THR A 56 1.104 9.183 11.171 1.00 0.00 N ATOM 720 CA THR A 56 0.991 10.611 10.952 1.00 0.00 C ATOM 721 C THR A 56 2.377 11.230 10.836 1.00 0.00 C ATOM 722 O THR A 56 3.253 10.953 11.652 1.00 0.00 O ATOM 723 CB THR A 56 0.212 11.241 12.103 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.016 10.568 12.263 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.050 12.713 11.794 1.00 0.00 C ATOM 0 H THR A 56 1.700 8.924 11.957 1.00 0.00 H new ATOM 0 HA THR A 56 0.455 10.797 10.022 1.00 0.00 H new ATOM 0 HB THR A 56 0.792 11.161 13.022 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.516 10.971 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.606 13.164 12.616 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.900 13.233 11.670 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.631 12.794 10.875 1.00 0.00 H new ATOM 733 N ALA A 57 2.572 12.071 9.818 1.00 0.00 N ATOM 734 CA ALA A 57 3.848 12.723 9.599 1.00 0.00 C ATOM 735 C ALA A 57 4.107 13.732 10.709 1.00 0.00 C ATOM 736 O ALA A 57 3.171 14.303 11.262 1.00 0.00 O ATOM 737 CB ALA A 57 3.840 13.408 8.236 1.00 0.00 C ATOM 0 H ALA A 57 1.854 12.312 9.134 1.00 0.00 H new ATOM 0 HA ALA A 57 4.648 11.983 9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.799 13.899 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.673 12.665 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.043 14.150 8.207 1.00 0.00 H new ATOM 743 N ASP A 58 5.384 13.950 11.033 1.00 0.00 N ATOM 744 CA ASP A 58 5.759 14.886 12.074 1.00 0.00 C ATOM 745 C ASP A 58 5.934 16.275 11.478 1.00 0.00 C ATOM 746 O ASP A 58 5.558 16.513 10.333 1.00 0.00 O ATOM 747 CB ASP A 58 7.049 14.415 12.739 1.00 0.00 C ATOM 748 CG ASP A 58 8.205 14.424 11.750 1.00 0.00 C ATOM 749 OD1 ASP A 58 7.992 14.940 10.632 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.282 13.915 12.130 1.00 0.00 O ATOM 0 H ASP A 58 6.172 13.485 10.582 1.00 0.00 H new ATOM 0 HA ASP A 58 4.974 14.933 12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.284 15.061 13.585 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.912 13.409 13.135 1.00 0.00 H new ATOM 755 N ALA A 59 6.508 17.193 12.259 1.00 0.00 N ATOM 756 CA ALA A 59 6.729 18.552 11.806 1.00 0.00 C ATOM 757 C ALA A 59 7.730 18.557 10.660 1.00 0.00 C ATOM 758 O ALA A 59 7.697 19.443 9.808 1.00 0.00 O ATOM 759 CB ALA A 59 7.235 19.399 12.970 1.00 0.00 C ATOM 0 H ALA A 59 6.826 17.010 13.211 1.00 0.00 H new ATOM 0 HA ALA A 59 5.792 18.976 11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.402 20.421 12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.494 19.398 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.171 18.983 13.343 1.00 0.00 H new ATOM 765 N ASN A 60 8.622 17.564 10.639 1.00 0.00 N ATOM 766 CA ASN A 60 9.625 17.460 9.598 1.00 0.00 C ATOM 767 C ASN A 60 8.986 16.964 8.309 1.00 0.00 C ATOM 768 O ASN A 60 9.621 16.967 7.257 1.00 0.00 O ATOM 769 CB ASN A 60 10.731 16.513 10.053 1.00 0.00 C ATOM 770 CG ASN A 60 11.952 17.289 10.524 1.00 0.00 C ATOM 771 OD1 ASN A 60 11.822 18.278 11.242 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.142 16.839 10.118 1.00 0.00 N ATOM 0 H ASN A 60 8.663 16.822 11.338 1.00 0.00 H new ATOM 0 HA ASN A 60 10.059 18.442 9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.364 15.880 10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.010 15.852 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.994 17.321 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.199 16.013 9.522 1.00 0.00 H new ATOM 779 N GLY A 61 7.724 16.537 8.392 1.00 0.00 N ATOM 780 CA GLY A 61 7.010 16.042 7.232 1.00 0.00 C ATOM 781 C GLY A 61 7.459 14.626 6.901 1.00 0.00 C ATOM 782 O GLY A 61 7.467 14.230 5.737 1.00 0.00 O ATOM 0 H GLY A 61 7.182 16.527 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.937 16.055 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.190 16.697 6.379 1.00 0.00 H new ATOM 786 N SER A 62 7.835 13.862 7.929 1.00 0.00 N ATOM 787 CA SER A 62 8.282 12.496 7.742 1.00 0.00 C ATOM 788 C SER A 62 7.503 11.567 8.662 1.00 0.00 C ATOM 789 O SER A 62 7.218 11.917 9.805 1.00 0.00 O ATOM 790 CB SER A 62 9.779 12.409 8.027 1.00 0.00 C ATOM 791 OG SER A 62 10.022 12.753 9.373 1.00 0.00 O ATOM 0 H SER A 62 7.836 14.175 8.900 1.00 0.00 H new ATOM 0 HA SER A 62 8.102 12.188 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.140 11.400 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.326 13.080 7.365 1.00 0.00 H new ATOM 0 HG SER A 62 10.983 12.696 9.557 1.00 0.00 H new ATOM 797 N ALA A 63 7.159 10.379 8.160 1.00 0.00 N ATOM 798 CA ALA A 63 6.416 9.407 8.936 1.00 0.00 C ATOM 799 C ALA A 63 7.092 8.046 8.841 1.00 0.00 C ATOM 800 O ALA A 63 7.933 7.828 7.973 1.00 0.00 O ATOM 801 CB ALA A 63 4.982 9.335 8.421 1.00 0.00 C ATOM 0 H ALA A 63 7.389 10.074 7.214 1.00 0.00 H new ATOM 0 HA ALA A 63 6.397 9.709 9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.422 8.604 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.511 10.313 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.986 9.036 7.373 1.00 0.00 H new ATOM 807 N SER A 64 6.721 7.130 9.738 1.00 0.00 N ATOM 808 CA SER A 64 7.292 5.798 9.750 1.00 0.00 C ATOM 809 C SER A 64 6.224 4.781 10.128 1.00 0.00 C ATOM 810 O SER A 64 5.408 5.035 11.012 1.00 0.00 O ATOM 811 CB SER A 64 8.456 5.752 10.736 1.00 0.00 C ATOM 812 OG SER A 64 8.026 5.162 11.942 1.00 0.00 O ATOM 0 H SER A 64 6.024 7.295 10.465 1.00 0.00 H new ATOM 0 HA SER A 64 7.665 5.550 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.282 5.181 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.828 6.759 10.924 1.00 0.00 H new ATOM 0 HG SER A 64 8.773 5.131 12.575 1.00 0.00 H new ATOM 818 N THR A 65 6.231 3.627 9.458 1.00 0.00 N ATOM 819 CA THR A 65 5.265 2.582 9.731 1.00 0.00 C ATOM 820 C THR A 65 5.693 1.289 9.052 1.00 0.00 C ATOM 821 O THR A 65 6.645 1.279 8.274 1.00 0.00 O ATOM 822 CB THR A 65 3.889 3.021 9.238 1.00 0.00 C ATOM 823 OG1 THR A 65 3.009 3.126 10.335 1.00 0.00 O ATOM 824 CG2 THR A 65 3.349 1.991 8.250 1.00 0.00 C ATOM 0 H THR A 65 6.900 3.400 8.722 1.00 0.00 H new ATOM 0 HA THR A 65 5.213 2.403 10.805 1.00 0.00 H new ATOM 0 HB THR A 65 3.972 3.989 8.744 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.083 3.092 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.366 2.305 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.029 1.909 7.402 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.266 1.023 8.743 1.00 0.00 H new ATOM 832 N SER A 66 4.986 0.196 9.348 1.00 0.00 N ATOM 833 CA SER A 66 5.295 -1.094 8.765 1.00 0.00 C ATOM 834 C SER A 66 4.059 -1.662 8.082 1.00 0.00 C ATOM 835 O SER A 66 2.988 -1.723 8.683 1.00 0.00 O ATOM 836 CB SER A 66 5.793 -2.038 9.855 1.00 0.00 C ATOM 837 OG SER A 66 6.092 -1.297 11.017 1.00 0.00 O ATOM 0 H SER A 66 4.194 0.188 9.991 1.00 0.00 H new ATOM 0 HA SER A 66 6.079 -0.980 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.035 -2.789 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.680 -2.571 9.512 1.00 0.00 H new ATOM 0 HG SER A 66 6.410 -1.903 11.718 1.00 0.00 H new ATOM 843 N LEU A 67 4.209 -2.079 6.823 1.00 0.00 N ATOM 844 CA LEU A 67 3.107 -2.640 6.066 1.00 0.00 C ATOM 845 C LEU A 67 3.361 -4.117 5.802 1.00 0.00 C ATOM 846 O LEU A 67 4.350 -4.476 5.167 1.00 0.00 O ATOM 847 CB LEU A 67 2.951 -1.876 4.754 1.00 0.00 C ATOM 848 CG LEU A 67 1.474 -1.819 4.372 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.037 -3.175 3.826 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.643 -1.475 5.605 1.00 0.00 C ATOM 0 H LEU A 67 5.090 -2.035 6.311 1.00 0.00 H new ATOM 0 HA LEU A 67 2.184 -2.547 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.350 -0.867 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.523 -2.365 3.966 1.00 0.00 H new ATOM 0 HG LEU A 67 1.325 -1.055 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.018 -3.135 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.630 -3.421 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.185 -3.939 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.412 -1.434 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.792 -2.239 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.955 -0.506 5.995 1.00 0.00 H new ATOM 862 N THR A 68 2.465 -4.976 6.293 1.00 0.00 N ATOM 863 CA THR A 68 2.599 -6.407 6.105 1.00 0.00 C ATOM 864 C THR A 68 2.127 -6.793 4.711 1.00 0.00 C ATOM 865 O THR A 68 1.147 -6.246 4.209 1.00 0.00 O ATOM 866 CB THR A 68 1.788 -7.137 7.171 1.00 0.00 C ATOM 867 OG1 THR A 68 1.277 -8.336 6.634 1.00 0.00 O ATOM 868 CG2 THR A 68 0.632 -6.251 7.627 1.00 0.00 C ATOM 0 H THR A 68 1.640 -4.696 6.824 1.00 0.00 H new ATOM 0 HA THR A 68 3.646 -6.693 6.203 1.00 0.00 H new ATOM 0 HB THR A 68 2.429 -7.364 8.022 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.839 -9.087 6.918 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.052 -6.773 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.026 -5.324 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.009 -6.023 6.776 1.00 0.00 H new ATOM 876 N VAL A 69 2.829 -7.741 4.084 1.00 0.00 N ATOM 877 CA VAL A 69 2.481 -8.196 2.753 1.00 0.00 C ATOM 878 C VAL A 69 1.981 -9.633 2.815 1.00 0.00 C ATOM 879 O VAL A 69 2.602 -10.481 3.452 1.00 0.00 O ATOM 880 CB VAL A 69 3.701 -8.087 1.844 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.967 -8.030 2.694 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.761 -9.304 0.925 1.00 0.00 C ATOM 0 H VAL A 69 3.644 -8.204 4.487 1.00 0.00 H new ATOM 0 HA VAL A 69 1.685 -7.572 2.347 1.00 0.00 H new ATOM 0 HB VAL A 69 3.626 -7.180 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.838 -7.952 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.925 -7.161 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.043 -8.936 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.633 -9.227 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.836 -10.210 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.858 -9.345 0.317 1.00 0.00 H new ATOM 892 N ARG A 70 0.855 -9.904 2.151 1.00 0.00 N ATOM 893 CA ARG A 70 0.278 -11.233 2.134 1.00 0.00 C ATOM 894 C ARG A 70 0.222 -11.752 0.705 1.00 0.00 C ATOM 895 O ARG A 70 0.196 -10.969 -0.242 1.00 0.00 O ATOM 896 CB ARG A 70 -1.118 -11.188 2.748 1.00 0.00 C ATOM 897 CG ARG A 70 -1.038 -11.571 4.223 1.00 0.00 C ATOM 898 CD ARG A 70 0.227 -10.977 4.836 1.00 0.00 C ATOM 899 NE ARG A 70 0.105 -10.865 6.289 1.00 0.00 N ATOM 900 CZ ARG A 70 0.451 -11.853 7.125 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.934 -13.004 6.638 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.314 -11.691 8.448 1.00 0.00 N ATOM 0 H ARG A 70 0.329 -9.211 1.618 1.00 0.00 H new ATOM 0 HA ARG A 70 0.897 -11.911 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.541 -10.189 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.782 -11.872 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.918 -11.205 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.031 -12.656 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.084 -11.603 4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.415 -9.993 4.407 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.259 -9.997 6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.038 -13.128 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.198 -13.756 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.054 -10.815 8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.578 -12.444 9.084 1.00 0.00 H new ATOM 916 N ARG A 71 0.202 -13.078 0.550 1.00 0.00 N ATOM 917 CA ARG A 71 0.149 -13.695 -0.760 1.00 0.00 C ATOM 918 C ARG A 71 -1.252 -13.557 -1.339 1.00 0.00 C ATOM 919 O ARG A 71 -1.413 -13.400 -2.547 1.00 0.00 O ATOM 920 CB ARG A 71 0.544 -15.164 -0.645 1.00 0.00 C ATOM 921 CG ARG A 71 -0.133 -15.779 0.576 1.00 0.00 C ATOM 922 CD ARG A 71 -0.257 -17.288 0.384 1.00 0.00 C ATOM 923 NE ARG A 71 -1.321 -17.839 1.223 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.366 -19.128 1.584 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.409 -19.973 1.177 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.369 -19.574 2.354 1.00 0.00 N ATOM 0 H ARG A 71 0.222 -13.741 1.325 1.00 0.00 H new ATOM 0 HA ARG A 71 0.848 -13.195 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.250 -15.702 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.627 -15.255 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.446 -15.562 1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.119 -15.338 0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.464 -17.509 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.690 -17.768 0.630 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.060 -17.215 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.355 -19.635 0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.444 -20.954 1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.098 -18.932 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.403 -20.556 2.629 1.00 0.00 H new ATOM 940 N SER A 72 -2.266 -13.615 -0.473 1.00 0.00 N ATOM 941 CA SER A 72 -3.644 -13.495 -0.902 1.00 0.00 C ATOM 942 C SER A 72 -4.484 -12.896 0.217 1.00 0.00 C ATOM 943 O SER A 72 -4.190 -13.098 1.393 1.00 0.00 O ATOM 944 CB SER A 72 -4.174 -14.870 -1.299 1.00 0.00 C ATOM 945 OG SER A 72 -3.095 -15.768 -1.433 1.00 0.00 O ATOM 0 H SER A 72 -2.149 -13.745 0.532 1.00 0.00 H new ATOM 0 HA SER A 72 -3.703 -12.834 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.873 -15.234 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.724 -14.803 -2.238 1.00 0.00 H new ATOM 0 HG SER A 72 -3.434 -16.652 -1.686 1.00 0.00 H new ATOM 951 N PHE A 73 -5.534 -12.157 -0.151 1.00 0.00 N ATOM 952 CA PHE A 73 -6.408 -11.536 0.823 1.00 0.00 C ATOM 953 C PHE A 73 -7.549 -10.822 0.112 1.00 0.00 C ATOM 954 O PHE A 73 -7.474 -10.572 -1.089 1.00 0.00 O ATOM 955 CB PHE A 73 -5.605 -10.558 1.676 1.00 0.00 C ATOM 956 CG PHE A 73 -4.703 -9.655 0.869 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.251 -8.608 0.118 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.319 -9.863 0.874 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.414 -7.769 -0.628 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.482 -9.024 0.128 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.030 -7.978 -0.624 1.00 0.00 C ATOM 0 H PHE A 73 -5.792 -11.979 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.834 -12.300 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.294 -9.945 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.000 -11.120 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.319 -8.448 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.896 -10.671 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.836 -6.961 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.414 -9.184 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.385 -7.332 -1.201 1.00 0.00 H new ATOM 971 N GLU A 74 -8.607 -10.493 0.856 1.00 0.00 N ATOM 972 CA GLU A 74 -9.753 -9.809 0.292 1.00 0.00 C ATOM 973 C GLU A 74 -9.330 -8.456 -0.263 1.00 0.00 C ATOM 974 O GLU A 74 -8.743 -7.646 0.450 1.00 0.00 O ATOM 975 CB GLU A 74 -10.824 -9.642 1.366 1.00 0.00 C ATOM 976 CG GLU A 74 -10.244 -8.866 2.545 1.00 0.00 C ATOM 977 CD GLU A 74 -10.162 -9.745 3.785 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.236 -10.001 4.372 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.027 -10.144 4.124 1.00 0.00 O ATOM 0 H GLU A 74 -8.686 -10.694 1.853 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.165 -10.400 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.685 -9.114 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.177 -10.618 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.251 -8.497 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.864 -7.994 2.752 1.00 0.00 H new ATOM 986 N GLY A 75 -9.630 -8.213 -1.541 1.00 0.00 N ATOM 987 CA GLY A 75 -9.278 -6.961 -2.180 1.00 0.00 C ATOM 988 C GLY A 75 -10.403 -5.948 -2.011 1.00 0.00 C ATOM 989 O GLY A 75 -11.355 -5.939 -2.787 1.00 0.00 O ATOM 0 H GLY A 75 -10.117 -8.873 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.358 -6.569 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.085 -7.127 -3.240 1.00 0.00 H new ATOM 993 N PHE A 76 -10.290 -5.094 -0.991 1.00 0.00 N ATOM 994 CA PHE A 76 -11.296 -4.085 -0.727 1.00 0.00 C ATOM 995 C PHE A 76 -11.032 -2.855 -1.584 1.00 0.00 C ATOM 996 O PHE A 76 -10.132 -2.072 -1.289 1.00 0.00 O ATOM 997 CB PHE A 76 -11.276 -3.726 0.756 1.00 0.00 C ATOM 998 CG PHE A 76 -12.581 -4.007 1.462 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.767 -3.421 1.002 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.606 -4.852 2.578 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.976 -3.680 1.657 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.816 -5.111 3.234 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.001 -4.525 2.773 1.00 0.00 C ATOM 0 H PHE A 76 -9.507 -5.088 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.282 -4.474 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.479 -4.285 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.035 -2.668 0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.748 -2.769 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.692 -5.304 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.890 -3.228 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.835 -5.763 4.095 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.934 -4.725 3.278 1.00 0.00 H new ATOM 1013 N LEU A 77 -11.819 -2.687 -2.649 1.00 0.00 N ATOM 1014 CA LEU A 77 -11.667 -1.556 -3.542 1.00 0.00 C ATOM 1015 C LEU A 77 -11.715 -0.260 -2.746 1.00 0.00 C ATOM 1016 O LEU A 77 -12.570 -0.092 -1.879 1.00 0.00 O ATOM 1017 CB LEU A 77 -12.774 -1.587 -4.593 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.166 -0.158 -4.959 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.007 0.518 -5.686 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.391 -0.185 -5.868 1.00 0.00 C ATOM 0 H LEU A 77 -12.569 -3.328 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.703 -1.613 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.433 -2.121 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.640 -2.126 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.399 0.399 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.287 1.538 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.132 0.537 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.773 -0.038 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.672 0.835 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.158 -0.742 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.219 -0.667 -5.349 1.00 0.00 H new ATOM 1032 N PHE A 78 -10.793 0.659 -3.043 1.00 0.00 N ATOM 1033 CA PHE A 78 -10.737 1.933 -2.355 1.00 0.00 C ATOM 1034 C PHE A 78 -12.135 2.528 -2.254 1.00 0.00 C ATOM 1035 O PHE A 78 -12.488 3.119 -1.236 1.00 0.00 O ATOM 1036 CB PHE A 78 -9.801 2.875 -3.107 1.00 0.00 C ATOM 1037 CG PHE A 78 -8.371 2.814 -2.625 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.034 3.323 -1.366 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -7.383 2.246 -3.438 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -6.708 3.265 -0.919 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -6.057 2.187 -2.991 1.00 0.00 C ATOM 1042 CZ PHE A 78 -5.720 2.697 -1.732 1.00 0.00 C ATOM 0 H PHE A 78 -10.077 0.536 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.352 1.789 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -9.829 2.631 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.167 3.897 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.797 3.761 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.643 1.853 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.448 3.658 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.295 1.748 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.697 2.652 -1.388 1.00 0.00 H new ATOM 1052 N ASP A 79 -12.930 2.370 -3.314 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.282 2.892 -3.340 1.00 0.00 C ATOM 1054 C ASP A 79 -15.076 2.323 -2.173 1.00 0.00 C ATOM 1055 O ASP A 79 -16.125 2.854 -1.817 1.00 0.00 O ATOM 1056 CB ASP A 79 -14.940 2.531 -4.669 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.759 3.697 -5.204 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -15.372 4.847 -4.904 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.756 3.417 -5.904 1.00 0.00 O ATOM 0 H ASP A 79 -12.652 1.881 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.260 3.978 -3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.175 2.255 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.583 1.661 -4.537 1.00 0.00 H new ATOM 1064 N GLY A 80 -14.572 1.240 -1.576 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.240 0.610 -0.454 1.00 0.00 C ATOM 1066 C GLY A 80 -16.099 -0.551 -0.936 1.00 0.00 C ATOM 1067 O GLY A 80 -17.109 -0.878 -0.317 1.00 0.00 O ATOM 0 H GLY A 80 -13.702 0.787 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.502 0.252 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.861 1.340 0.065 1.00 0.00 H new ATOM 1071 N THR A 81 -15.694 -1.176 -2.044 1.00 0.00 N ATOM 1072 CA THR A 81 -16.429 -2.295 -2.599 1.00 0.00 C ATOM 1073 C THR A 81 -15.589 -3.561 -2.512 1.00 0.00 C ATOM 1074 O THR A 81 -14.568 -3.679 -3.187 1.00 0.00 O ATOM 1075 CB THR A 81 -16.800 -1.991 -4.047 1.00 0.00 C ATOM 1076 OG1 THR A 81 -17.965 -1.197 -4.077 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.056 -3.298 -4.792 1.00 0.00 C ATOM 0 H THR A 81 -14.858 -0.919 -2.569 1.00 0.00 H new ATOM 0 HA THR A 81 -17.344 -2.451 -2.028 1.00 0.00 H new ATOM 0 HB THR A 81 -15.982 -1.454 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.203 -1.000 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.321 -3.081 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.156 -3.912 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.874 -3.836 -4.313 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.021 -4.509 -1.678 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.310 -5.759 -1.506 1.00 0.00 C ATOM 1087 C ARG A 82 -15.243 -6.501 -2.833 1.00 0.00 C ATOM 1088 O ARG A 82 -16.183 -7.202 -3.203 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.016 -6.604 -0.450 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.525 -6.530 -0.664 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.137 -7.912 -0.454 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.261 -7.852 0.481 1.00 0.00 N ATOM 1093 CZ ARG A 82 -19.109 -7.571 1.782 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.887 -7.329 2.277 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -20.178 -7.531 2.589 1.00 0.00 N ATOM 0 H ARG A 82 -16.866 -4.425 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.292 -5.559 -1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.680 -7.639 -0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.761 -6.246 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.967 -5.816 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.743 -6.173 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.475 -8.313 -1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.378 -8.595 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.201 -8.032 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.073 -7.359 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.771 -7.115 3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.108 -7.715 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.062 -7.317 3.579 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.128 -6.347 -3.551 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.949 -7.006 -4.830 1.00 0.00 C ATOM 1111 C TRP A 83 -13.969 -8.516 -4.642 1.00 0.00 C ATOM 1112 O TRP A 83 -14.736 -9.216 -5.299 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.631 -6.555 -5.452 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.289 -7.215 -6.750 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.158 -7.912 -6.997 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.061 -7.257 -7.988 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.177 -8.378 -8.294 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.330 -8.001 -8.953 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.304 -6.740 -8.396 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.804 -8.223 -10.249 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.789 -6.956 -9.694 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.044 -7.695 -10.620 1.00 0.00 C ATOM 0 H TRP A 83 -13.339 -5.769 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.764 -6.735 -5.500 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.670 -5.477 -5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.827 -6.745 -4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.361 -8.078 -6.287 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.432 -8.933 -8.715 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.895 -6.167 -7.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.220 -8.795 -10.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.747 -6.548 -9.982 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.426 -7.857 -11.617 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.121 -9.019 -3.741 1.00 0.00 N ATOM 1134 CA GLY A 84 -13.049 -10.442 -3.476 1.00 0.00 C ATOM 1135 C GLY A 84 -11.609 -10.855 -3.204 1.00 0.00 C ATOM 1136 O GLY A 84 -10.706 -10.021 -3.224 1.00 0.00 O ATOM 0 H GLY A 84 -12.478 -8.454 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.674 -10.692 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.440 -10.998 -4.328 1.00 0.00 H new ATOM 1140 N THR A 85 -11.395 -12.148 -2.950 1.00 0.00 N ATOM 1141 CA THR A 85 -10.068 -12.661 -2.678 1.00 0.00 C ATOM 1142 C THR A 85 -9.132 -12.314 -3.826 1.00 0.00 C ATOM 1143 O THR A 85 -9.524 -12.369 -4.990 1.00 0.00 O ATOM 1144 CB THR A 85 -10.139 -14.172 -2.477 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.485 -14.562 -2.320 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.349 -14.557 -1.229 1.00 0.00 C ATOM 0 H THR A 85 -12.132 -12.853 -2.929 1.00 0.00 H new ATOM 0 HA THR A 85 -9.678 -12.203 -1.769 1.00 0.00 H new ATOM 0 HB THR A 85 -9.714 -14.675 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.879 -14.738 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.399 -15.636 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.309 -14.255 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.774 -14.055 -0.360 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.889 -11.955 -3.496 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.903 -11.600 -4.498 1.00 0.00 C ATOM 1156 C VAL A 86 -5.635 -12.413 -4.282 1.00 0.00 C ATOM 1157 O VAL A 86 -5.340 -12.821 -3.161 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.609 -10.105 -4.415 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.247 -9.819 -5.040 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.687 -9.333 -5.169 1.00 0.00 C ATOM 0 H VAL A 86 -7.548 -11.905 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.290 -11.825 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.602 -9.793 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.037 -8.751 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.477 -10.371 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.253 -10.130 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.478 -8.265 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.694 -9.644 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.660 -9.537 -4.723 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.882 -12.647 -5.359 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.652 -13.409 -5.282 1.00 0.00 C ATOM 1172 C ASP A 87 -2.479 -12.535 -5.702 1.00 0.00 C ATOM 1173 O ASP A 87 -2.133 -12.483 -6.880 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.759 -14.639 -6.178 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.438 -15.787 -5.446 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.687 -15.823 -5.482 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.696 -16.608 -4.865 1.00 0.00 O ATOM 0 H ASP A 87 -5.112 -12.314 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.486 -13.738 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.324 -14.391 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.764 -14.946 -6.501 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.866 -11.848 -4.735 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.737 -10.982 -5.008 1.00 0.00 C ATOM 1184 C CYS A 88 0.342 -11.761 -5.746 1.00 0.00 C ATOM 1185 O CYS A 88 1.144 -11.178 -6.473 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.198 -10.421 -3.695 1.00 0.00 C ATOM 1187 SG CYS A 88 -1.168 -9.046 -3.029 1.00 0.00 S ATOM 0 H CYS A 88 -2.141 -11.881 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.054 -10.152 -5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.166 -11.221 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.828 -10.088 -3.848 1.00 0.00 H new ATOM 1192 N THR A 89 0.362 -13.083 -5.559 1.00 0.00 N ATOM 1193 CA THR A 89 1.342 -13.929 -6.209 1.00 0.00 C ATOM 1194 C THR A 89 0.962 -14.138 -7.667 1.00 0.00 C ATOM 1195 O THR A 89 1.670 -14.819 -8.406 1.00 0.00 O ATOM 1196 CB THR A 89 1.426 -15.265 -5.475 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.128 -15.786 -5.299 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.080 -15.057 -4.112 1.00 0.00 C ATOM 0 H THR A 89 -0.295 -13.583 -4.960 1.00 0.00 H new ATOM 0 HA THR A 89 2.320 -13.448 -6.176 1.00 0.00 H new ATOM 0 HB THR A 89 2.022 -15.965 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.181 -16.645 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.140 -16.011 -3.588 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.084 -14.654 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.484 -14.358 -3.526 1.00 0.00 H new ATOM 1206 N THR A 90 -0.162 -13.549 -8.083 1.00 0.00 N ATOM 1207 CA THR A 90 -0.627 -13.675 -9.450 1.00 0.00 C ATOM 1208 C THR A 90 -0.584 -12.318 -10.139 1.00 0.00 C ATOM 1209 O THR A 90 -0.444 -12.242 -11.357 1.00 0.00 O ATOM 1210 CB THR A 90 -2.045 -14.239 -9.454 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.994 -15.637 -9.631 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.839 -13.610 -10.595 1.00 0.00 C ATOM 0 H THR A 90 -0.762 -12.981 -7.485 1.00 0.00 H new ATOM 0 HA THR A 90 0.023 -14.357 -9.997 1.00 0.00 H new ATOM 0 HB THR A 90 -2.530 -14.011 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.904 -16.000 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.852 -14.012 -10.598 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.878 -12.529 -10.458 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.355 -13.838 -11.544 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.705 -11.245 -9.353 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.681 -9.899 -9.889 1.00 0.00 C ATOM 1222 C ALA A 91 0.385 -9.080 -9.176 1.00 0.00 C ATOM 1223 O ALA A 91 1.254 -9.635 -8.508 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.057 -9.261 -9.721 1.00 0.00 C ATOM 0 H ALA A 91 -0.821 -11.292 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.437 -9.930 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.040 -8.248 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.800 -9.852 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.315 -9.226 -8.663 1.00 0.00 H new ATOM 1230 N ALA A 92 0.316 -7.754 -9.319 1.00 0.00 N ATOM 1231 CA ALA A 92 1.274 -6.866 -8.691 1.00 0.00 C ATOM 1232 C ALA A 92 0.688 -6.305 -7.403 1.00 0.00 C ATOM 1233 O ALA A 92 -0.397 -5.729 -7.412 1.00 0.00 O ATOM 1234 CB ALA A 92 1.633 -5.741 -9.657 1.00 0.00 C ATOM 0 H ALA A 92 -0.400 -7.278 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 92 2.181 -7.418 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.353 -5.073 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.069 -6.164 -10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.734 -5.182 -9.914 1.00 0.00 H new ATOM 1240 N CYS A 93 1.411 -6.475 -6.293 1.00 0.00 N ATOM 1241 CA CYS A 93 0.961 -5.987 -5.005 1.00 0.00 C ATOM 1242 C CYS A 93 1.731 -4.727 -4.636 1.00 0.00 C ATOM 1243 O CYS A 93 2.866 -4.541 -5.068 1.00 0.00 O ATOM 1244 CB CYS A 93 1.162 -7.072 -3.952 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.248 -7.287 -2.838 1.00 0.00 S ATOM 0 H CYS A 93 2.313 -6.950 -6.270 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.100 -5.741 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.363 -8.018 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 93 2.046 -6.831 -3.361 1.00 0.00 H new ATOM 1250 N GLN A 94 1.109 -3.859 -3.833 1.00 0.00 N ATOM 1251 CA GLN A 94 1.738 -2.623 -3.412 1.00 0.00 C ATOM 1252 C GLN A 94 1.059 -2.101 -2.153 1.00 0.00 C ATOM 1253 O GLN A 94 -0.141 -2.292 -1.968 1.00 0.00 O ATOM 1254 CB GLN A 94 1.648 -1.599 -4.539 1.00 0.00 C ATOM 1255 CG GLN A 94 0.549 -0.588 -4.223 1.00 0.00 C ATOM 1256 CD GLN A 94 0.073 0.111 -5.488 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.057 -0.519 -6.536 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.186 1.417 -5.389 1.00 0.00 N ATOM 0 H GLN A 94 0.168 -3.998 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 94 2.789 -2.804 -3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.604 -1.088 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.435 -2.100 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.290 -1.094 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.922 0.150 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.063 1.895 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.507 1.937 -6.206 1.00 0.00 H new ATOM 1267 N VAL A 95 1.831 -1.440 -1.288 1.00 0.00 N ATOM 1268 CA VAL A 95 1.303 -0.895 -0.054 1.00 0.00 C ATOM 1269 C VAL A 95 1.176 0.618 -0.172 1.00 0.00 C ATOM 1270 O VAL A 95 1.741 1.220 -1.082 1.00 0.00 O ATOM 1271 CB VAL A 95 2.224 -1.271 1.104 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.992 -0.316 2.271 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.923 -2.700 1.548 1.00 0.00 C ATOM 0 H VAL A 95 2.827 -1.273 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 95 0.313 -1.310 0.137 1.00 0.00 H new ATOM 0 HB VAL A 95 3.262 -1.201 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.650 -0.585 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.206 0.705 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.954 -0.385 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.580 -2.970 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.885 -2.769 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.089 -3.383 0.715 1.00 0.00 H new ATOM 1283 N GLY A 96 0.433 1.231 0.751 1.00 0.00 N ATOM 1284 CA GLY A 96 0.240 2.668 0.741 1.00 0.00 C ATOM 1285 C GLY A 96 -0.571 3.100 1.955 1.00 0.00 C ATOM 1286 O GLY A 96 -1.195 2.272 2.614 1.00 0.00 O ATOM 0 H GLY A 96 -0.042 0.747 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.207 3.172 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.273 2.967 -0.173 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.560 4.402 2.249 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.291 4.938 3.380 1.00 0.00 C ATOM 1292 C LEU A 97 -2.139 6.120 2.933 1.00 0.00 C ATOM 1293 O LEU A 97 -1.656 7.001 2.225 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.308 5.358 4.468 1.00 0.00 C ATOM 1295 CG LEU A 97 0.567 6.497 3.951 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.662 7.588 5.012 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.963 5.965 3.640 1.00 0.00 C ATOM 0 H LEU A 97 -0.048 5.101 1.711 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.954 4.173 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.849 5.677 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.313 4.511 4.758 1.00 0.00 H new ATOM 0 HG LEU A 97 0.126 6.911 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.287 8.401 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.335 7.968 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.102 7.175 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.588 6.778 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.405 5.550 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.895 5.186 2.881 1.00 0.00 H new ATOM 1309 N SER A 98 -3.408 6.138 3.349 1.00 0.00 N ATOM 1310 CA SER A 98 -4.313 7.211 2.991 1.00 0.00 C ATOM 1311 C SER A 98 -4.664 8.025 4.228 1.00 0.00 C ATOM 1312 O SER A 98 -4.684 7.496 5.338 1.00 0.00 O ATOM 1313 CB SER A 98 -5.570 6.623 2.356 1.00 0.00 C ATOM 1314 OG SER A 98 -5.241 6.040 1.115 1.00 0.00 O ATOM 0 HA SER A 98 -3.832 7.873 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.008 5.875 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.319 7.403 2.216 1.00 0.00 H new ATOM 0 HG SER A 98 -6.048 5.661 0.708 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.943 9.316 4.036 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.291 10.195 5.134 1.00 0.00 C ATOM 1322 C ASP A 99 -6.763 10.573 5.044 1.00 0.00 C ATOM 1323 O ASP A 99 -7.538 9.901 4.368 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.409 11.439 5.088 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.046 12.526 4.235 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.014 12.367 2.996 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.553 13.497 4.838 1.00 0.00 O ATOM 0 H ASP A 99 -4.932 9.770 3.122 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.125 9.683 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.248 11.813 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.430 11.181 4.684 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.146 11.653 5.729 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.520 12.114 5.724 1.00 0.00 C ATOM 1334 C ALA A 100 -8.899 12.591 4.329 1.00 0.00 C ATOM 1335 O ALA A 100 -9.941 12.209 3.802 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.683 13.238 6.743 1.00 0.00 C ATOM 0 H ALA A 100 -6.514 12.221 6.294 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.184 11.294 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.716 13.585 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.428 12.869 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.022 14.064 6.482 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.048 13.428 3.731 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.297 13.953 2.404 1.00 0.00 C ATOM 1344 C ALA A 101 -8.175 12.837 1.377 1.00 0.00 C ATOM 1345 O ALA A 101 -8.752 12.921 0.295 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.304 15.073 2.106 1.00 0.00 C ATOM 0 H ALA A 101 -7.179 13.753 4.155 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.308 14.358 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.491 15.469 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.423 15.870 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.288 14.682 2.157 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.422 11.789 1.717 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.231 10.666 0.820 1.00 0.00 C ATOM 1354 C GLY A 102 -5.951 10.844 0.016 1.00 0.00 C ATOM 1355 O GLY A 102 -5.969 10.760 -1.210 1.00 0.00 O ATOM 0 H GLY A 102 -6.937 11.702 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.183 9.739 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.083 10.581 0.146 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.838 11.091 0.710 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.558 11.279 0.058 1.00 0.00 C ATOM 1361 C ASN A 103 -2.498 10.426 0.739 1.00 0.00 C ATOM 1362 O ASN A 103 -2.753 9.832 1.785 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.176 12.756 0.106 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.208 13.029 1.248 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.137 13.592 1.035 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.589 12.632 2.465 1.00 0.00 N ATOM 0 H ASN A 103 -4.807 11.164 1.727 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.629 10.968 -0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.721 13.049 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.072 13.364 0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.980 12.793 3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.489 12.168 2.592 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.304 10.366 0.145 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.216 9.586 0.700 1.00 0.00 C ATOM 1375 C GLY A 104 1.080 9.885 -0.041 1.00 0.00 C ATOM 1376 O GLY A 104 1.080 10.626 -1.022 1.00 0.00 O ATOM 0 H GLY A 104 -1.074 10.852 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.099 9.815 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.447 8.523 0.628 1.00 0.00 H new ATOM 1380 N PRO A 105 2.186 9.307 0.431 1.00 0.00 N ATOM 1381 CA PRO A 105 3.504 9.474 -0.143 1.00 0.00 C ATOM 1382 C PRO A 105 3.586 8.718 -1.461 1.00 0.00 C ATOM 1383 O PRO A 105 2.692 7.940 -1.790 1.00 0.00 O ATOM 1384 CB PRO A 105 4.460 8.881 0.889 1.00 0.00 C ATOM 1385 CG PRO A 105 3.611 7.797 1.552 1.00 0.00 C ATOM 1386 CD PRO A 105 2.222 8.430 1.582 1.00 0.00 C ATOM 0 HA PRO A 105 3.744 10.515 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.353 8.466 0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.794 9.629 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.621 6.869 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.969 7.558 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.441 7.672 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.061 8.985 2.506 1.00 0.00 H new ATOM 1394 N GLU A 106 4.661 8.947 -2.218 1.00 0.00 N ATOM 1395 CA GLU A 106 4.850 8.287 -3.494 1.00 0.00 C ATOM 1396 C GLU A 106 4.376 6.843 -3.407 1.00 0.00 C ATOM 1397 O GLU A 106 4.809 6.096 -2.533 1.00 0.00 O ATOM 1398 CB GLU A 106 6.325 8.349 -3.884 1.00 0.00 C ATOM 1399 CG GLU A 106 7.188 8.121 -2.647 1.00 0.00 C ATOM 1400 CD GLU A 106 8.526 7.502 -3.024 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.388 8.265 -3.511 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.661 6.276 -2.819 1.00 0.00 O ATOM 0 H GLU A 106 5.411 9.588 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 106 4.262 8.794 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.545 7.593 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.555 9.318 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.353 9.069 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.664 7.468 -1.949 1.00 0.00 H new ATOM 1409 N GLY A 107 3.483 6.450 -4.318 1.00 0.00 N ATOM 1410 CA GLY A 107 2.958 5.099 -4.336 1.00 0.00 C ATOM 1411 C GLY A 107 4.059 4.102 -4.003 1.00 0.00 C ATOM 1412 O GLY A 107 5.241 4.416 -4.119 1.00 0.00 O ATOM 0 H GLY A 107 3.113 7.056 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.145 5.008 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.541 4.876 -5.318 1.00 0.00 H new ATOM 1416 N VAL A 108 3.666 2.895 -3.587 1.00 0.00 N ATOM 1417 CA VAL A 108 4.617 1.859 -3.239 1.00 0.00 C ATOM 1418 C VAL A 108 4.357 0.618 -4.081 1.00 0.00 C ATOM 1419 O VAL A 108 3.425 -0.135 -3.809 1.00 0.00 O ATOM 1420 CB VAL A 108 4.497 1.539 -1.752 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.413 0.368 -1.408 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.906 2.761 -0.934 1.00 0.00 C ATOM 0 H VAL A 108 2.689 2.619 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 108 5.630 2.206 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 108 3.465 1.274 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.328 0.139 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.122 -0.505 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.445 0.633 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.820 2.533 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.938 3.026 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.253 3.598 -1.179 1.00 0.00 H new ATOM 1432 N ALA A 109 5.185 0.406 -5.106 1.00 0.00 N ATOM 1433 CA ALA A 109 5.041 -0.739 -5.982 1.00 0.00 C ATOM 1434 C ALA A 109 5.770 -1.936 -5.388 1.00 0.00 C ATOM 1435 O ALA A 109 6.903 -1.811 -4.931 1.00 0.00 O ATOM 1436 CB ALA A 109 5.597 -0.397 -7.361 1.00 0.00 C ATOM 0 H ALA A 109 5.963 1.021 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 109 3.986 -0.994 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.489 -1.258 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.048 0.449 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.652 -0.137 -7.274 1.00 0.00 H new ATOM 1442 N ILE A 110 5.115 -3.100 -5.397 1.00 0.00 N ATOM 1443 CA ILE A 110 5.701 -4.313 -4.862 1.00 0.00 C ATOM 1444 C ILE A 110 5.343 -5.494 -5.753 1.00 0.00 C ATOM 1445 O ILE A 110 4.750 -5.315 -6.815 1.00 0.00 O ATOM 1446 CB ILE A 110 5.197 -4.536 -3.439 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.673 -4.467 -3.421 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.766 -3.455 -2.523 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.133 -5.430 -2.368 1.00 0.00 C ATOM 0 H ILE A 110 4.174 -3.219 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 110 6.787 -4.218 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 110 5.520 -5.517 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.347 -3.450 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.275 -4.724 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.407 -3.613 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.855 -3.504 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.443 -2.475 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.044 -5.381 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.448 -6.446 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.521 -5.152 -1.388 1.00 0.00 H new ATOM 1461 N SER A 111 5.704 -6.703 -5.319 1.00 0.00 N ATOM 1462 CA SER A 111 5.417 -7.904 -6.078 1.00 0.00 C ATOM 1463 C SER A 111 5.868 -9.130 -5.296 1.00 0.00 C ATOM 1464 O SER A 111 6.413 -9.005 -4.201 1.00 0.00 O ATOM 1465 CB SER A 111 6.127 -7.833 -7.427 1.00 0.00 C ATOM 1466 OG SER A 111 5.458 -8.658 -8.354 1.00 0.00 O ATOM 0 H SER A 111 6.197 -6.868 -4.442 1.00 0.00 H new ATOM 0 HA SER A 111 4.343 -7.982 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.145 -6.804 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.164 -8.152 -7.322 1.00 0.00 H new ATOM 0 HG SER A 111 5.913 -8.611 -9.221 1.00 0.00 H new ATOM 1472 N PHE A 112 5.639 -10.318 -5.860 1.00 0.00 N ATOM 1473 CA PHE A 112 6.023 -11.556 -5.213 1.00 0.00 C ATOM 1474 C PHE A 112 6.786 -12.436 -6.194 1.00 0.00 C ATOM 1475 O PHE A 112 6.218 -12.913 -7.174 1.00 0.00 O ATOM 1476 CB PHE A 112 4.775 -12.270 -4.703 1.00 0.00 C ATOM 1477 CG PHE A 112 3.868 -11.386 -3.881 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.243 -10.281 -4.472 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.650 -11.672 -2.528 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.401 -9.463 -3.710 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.807 -10.854 -1.766 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.183 -9.749 -2.357 1.00 0.00 C ATOM 0 H PHE A 112 5.188 -10.440 -6.767 1.00 0.00 H new ATOM 0 HA PHE A 112 6.675 -11.342 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.216 -12.659 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.077 -13.127 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.411 -10.060 -5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.132 -12.524 -2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.919 -8.611 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.638 -11.075 -0.723 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.534 -9.117 -1.769 1.00 0.00 H new ATOM 1492 N ASN A 113 8.076 -12.650 -5.927 1.00 0.00 N ATOM 1493 CA ASN A 113 8.907 -13.471 -6.785 1.00 0.00 C ATOM 1494 C ASN A 113 8.978 -12.859 -8.177 1.00 0.00 C ATOM 1495 O ASN A 113 9.824 -12.008 -8.442 1.00 0.00 O ATOM 1496 CB ASN A 113 8.333 -14.884 -6.845 1.00 0.00 C ATOM 1497 CG ASN A 113 8.464 -15.581 -5.498 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.465 -16.244 -5.235 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.450 -15.427 -4.643 1.00 0.00 N ATOM 0 H ASN A 113 8.561 -12.261 -5.119 1.00 0.00 H new ATOM 0 HA ASN A 113 9.918 -13.519 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.284 -14.842 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.854 -15.460 -7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.485 -15.870 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.640 -14.866 -4.908 1.00 0.00 H new TER 1506 ASN A 113