USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 61 ASN : amide:sc= 0.176 K(o=0.15,f=-3.3!) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.029 X(o=0.15,f=0.18) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.778 K(o=1.4,f=-3.8) USER MOD Set 2.2: A 67 HIS : no HE2:sc= 0.655 K(o=1.4,f=-4.6!) USER MOD Set 3.1: A 30 SER OG : rot -26:sc= 1.22 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-0.000339 K(o=-0.00034,f=-1.1) USER MOD Single : A 12 MET CE :methyl -171:sc= -0.183 (180deg=-0.411) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= 0.522 (180deg=0.262) USER MOD Single : A 21 GLN : amide:sc= -0.0245 K(o=-0.024,f=-0.58) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.0727 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.195 K(o=-0.19,f=-0.72) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot 130:sc= -0.337 USER MOD Single : A 49 CYS SG : rot 40:sc= 0.11 USER MOD Single : A 58 ASN : amide:sc= 0.871 K(o=0.87,f=-6.1!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.36) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 62:sc= 0.589 USER MOD Single : A 81 SER OG : rot -4:sc= 0.49 USER MOD Single : A 83 THR OG1 : rot 157:sc= 0.00353 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.485 6.127 -18.685 1.00 0.00 N ATOM 2 CA GLY A 1 -10.948 5.190 -19.715 1.00 0.00 C ATOM 3 C GLY A 1 -9.841 4.906 -20.713 1.00 0.00 C ATOM 4 O GLY A 1 -8.668 5.096 -20.391 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.784 5.788 -17.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.447 6.191 -18.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.895 7.066 -18.861 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.273 4.260 -19.249 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.813 5.607 -20.231 1.00 0.00 H new ATOM 8 N SER A 2 -10.222 4.496 -21.928 1.00 0.00 N ATOM 9 CA SER A 2 -9.344 4.063 -23.019 1.00 0.00 C ATOM 10 C SER A 2 -8.643 2.743 -22.682 1.00 0.00 C ATOM 11 O SER A 2 -8.765 2.238 -21.560 1.00 0.00 O ATOM 12 CB SER A 2 -8.332 5.160 -23.387 1.00 0.00 C ATOM 13 OG SER A 2 -8.967 6.406 -23.623 1.00 0.00 O ATOM 0 H SER A 2 -11.207 4.455 -22.190 1.00 0.00 H new ATOM 0 HA SER A 2 -9.968 3.885 -23.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.606 5.269 -22.582 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.779 4.860 -24.277 1.00 0.00 H new ATOM 0 HG SER A 2 -8.292 7.079 -23.852 1.00 0.00 H new ATOM 19 N SER A 3 -7.921 2.159 -23.643 1.00 0.00 N ATOM 20 CA SER A 3 -7.115 0.975 -23.396 1.00 0.00 C ATOM 21 C SER A 3 -5.894 0.922 -24.320 1.00 0.00 C ATOM 22 O SER A 3 -5.885 1.543 -25.388 1.00 0.00 O ATOM 23 CB SER A 3 -8.006 -0.274 -23.474 1.00 0.00 C ATOM 24 OG SER A 3 -8.511 -0.503 -24.772 1.00 0.00 O ATOM 0 H SER A 3 -7.883 2.496 -24.605 1.00 0.00 H new ATOM 0 HA SER A 3 -6.702 1.015 -22.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.434 -1.144 -23.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.838 -0.165 -22.779 1.00 0.00 H new ATOM 0 HG SER A 3 -9.069 -1.309 -24.768 1.00 0.00 H new ATOM 30 N GLY A 4 -4.882 0.150 -23.913 1.00 0.00 N ATOM 31 CA GLY A 4 -3.687 -0.146 -24.689 1.00 0.00 C ATOM 32 C GLY A 4 -2.629 0.952 -24.573 1.00 0.00 C ATOM 33 O GLY A 4 -2.926 2.119 -24.816 1.00 0.00 O ATOM 0 H GLY A 4 -4.878 -0.300 -22.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.263 -1.092 -24.352 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.960 -0.274 -25.736 1.00 0.00 H new ATOM 37 N SER A 5 -1.393 0.556 -24.248 1.00 0.00 N ATOM 38 CA SER A 5 -0.209 1.385 -24.002 1.00 0.00 C ATOM 39 C SER A 5 -0.463 2.608 -23.111 1.00 0.00 C ATOM 40 O SER A 5 -0.173 2.527 -21.916 1.00 0.00 O ATOM 41 CB SER A 5 0.482 1.727 -25.322 1.00 0.00 C ATOM 42 OG SER A 5 1.107 0.567 -25.848 1.00 0.00 O ATOM 0 H SER A 5 -1.178 -0.435 -24.142 1.00 0.00 H new ATOM 0 HA SER A 5 0.479 0.784 -23.407 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.246 2.115 -26.035 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.223 2.511 -25.164 1.00 0.00 H new ATOM 0 HG SER A 5 1.548 0.788 -26.695 1.00 0.00 H new ATOM 48 N SER A 6 -0.984 3.724 -23.632 1.00 0.00 N ATOM 49 CA SER A 6 -1.395 4.847 -22.799 1.00 0.00 C ATOM 50 C SER A 6 -2.419 4.335 -21.770 1.00 0.00 C ATOM 51 O SER A 6 -3.206 3.413 -22.023 1.00 0.00 O ATOM 52 CB SER A 6 -1.917 5.973 -23.704 1.00 0.00 C ATOM 53 OG SER A 6 -2.335 7.133 -22.998 1.00 0.00 O ATOM 0 H SER A 6 -1.129 3.869 -24.631 1.00 0.00 H new ATOM 0 HA SER A 6 -0.565 5.272 -22.234 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.134 6.251 -24.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.754 5.595 -24.291 1.00 0.00 H new ATOM 0 HG SER A 6 -2.652 7.807 -23.635 1.00 0.00 H new ATOM 59 N GLY A 7 -2.387 4.883 -20.561 1.00 0.00 N ATOM 60 CA GLY A 7 -3.123 4.346 -19.434 1.00 0.00 C ATOM 61 C GLY A 7 -2.886 5.198 -18.204 1.00 0.00 C ATOM 62 O GLY A 7 -2.239 6.245 -18.284 1.00 0.00 O ATOM 0 H GLY A 7 -1.845 5.718 -20.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.188 4.316 -19.666 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.810 3.320 -19.241 1.00 0.00 H new ATOM 66 N GLN A 8 -3.485 4.798 -17.089 1.00 0.00 N ATOM 67 CA GLN A 8 -3.568 5.613 -15.892 1.00 0.00 C ATOM 68 C GLN A 8 -3.757 4.666 -14.699 1.00 0.00 C ATOM 69 O GLN A 8 -4.390 3.615 -14.857 1.00 0.00 O ATOM 70 CB GLN A 8 -4.737 6.605 -16.107 1.00 0.00 C ATOM 71 CG GLN A 8 -4.524 7.994 -15.494 1.00 0.00 C ATOM 72 CD GLN A 8 -4.979 8.134 -14.047 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.404 7.191 -13.387 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.913 9.346 -13.526 1.00 0.00 N ATOM 0 H GLN A 8 -3.931 3.886 -16.994 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.672 6.200 -15.688 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.906 6.718 -17.178 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.644 6.172 -15.685 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.464 8.242 -15.552 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.056 8.728 -16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.558 10.122 -14.084 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.217 9.505 -12.566 1.00 0.00 H new ATOM 83 N ALA A 9 -3.219 5.060 -13.538 1.00 0.00 N ATOM 84 CA ALA A 9 -2.957 4.262 -12.337 1.00 0.00 C ATOM 85 C ALA A 9 -1.900 3.178 -12.594 1.00 0.00 C ATOM 86 O ALA A 9 -1.596 2.853 -13.745 1.00 0.00 O ATOM 87 CB ALA A 9 -4.251 3.706 -11.722 1.00 0.00 C ATOM 0 H ALA A 9 -2.932 6.030 -13.405 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.532 4.930 -11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.010 3.121 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.906 4.532 -11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.756 3.070 -12.449 1.00 0.00 H new ATOM 93 N GLU A 10 -1.304 2.644 -11.523 1.00 0.00 N ATOM 94 CA GLU A 10 -0.148 1.758 -11.604 1.00 0.00 C ATOM 95 C GLU A 10 -0.174 0.791 -10.409 1.00 0.00 C ATOM 96 O GLU A 10 0.126 1.177 -9.280 1.00 0.00 O ATOM 97 CB GLU A 10 1.126 2.630 -11.687 1.00 0.00 C ATOM 98 CG GLU A 10 2.240 2.016 -12.550 1.00 0.00 C ATOM 99 CD GLU A 10 3.362 1.380 -11.734 1.00 0.00 C ATOM 100 OE1 GLU A 10 3.139 0.323 -11.121 1.00 0.00 O ATOM 101 OE2 GLU A 10 4.507 1.913 -11.759 1.00 0.00 O ATOM 0 H GLU A 10 -1.617 2.819 -10.568 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.165 1.135 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.861 3.607 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.508 2.796 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.806 1.261 -13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.661 2.791 -13.190 1.00 0.00 H new ATOM 108 N LEU A 11 -0.622 -0.449 -10.634 1.00 0.00 N ATOM 109 CA LEU A 11 -0.739 -1.515 -9.629 1.00 0.00 C ATOM 110 C LEU A 11 -0.128 -2.804 -10.189 1.00 0.00 C ATOM 111 O LEU A 11 0.342 -2.816 -11.335 1.00 0.00 O ATOM 112 CB LEU A 11 -2.211 -1.728 -9.235 1.00 0.00 C ATOM 113 CG LEU A 11 -2.802 -0.526 -8.466 1.00 0.00 C ATOM 114 CD1 LEU A 11 -3.796 0.230 -9.354 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.467 -0.992 -7.169 1.00 0.00 C ATOM 0 H LEU A 11 -0.926 -0.751 -11.560 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.196 -1.226 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.802 -1.905 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.292 -2.624 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.993 0.155 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.207 1.075 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.285 0.593 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.605 -0.440 -9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.877 -0.131 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.270 -1.691 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.728 -1.486 -6.538 1.00 0.00 H new ATOM 127 N MET A 12 -0.104 -3.882 -9.399 1.00 0.00 N ATOM 128 CA MET A 12 0.213 -5.229 -9.865 1.00 0.00 C ATOM 129 C MET A 12 -1.022 -6.110 -9.736 1.00 0.00 C ATOM 130 O MET A 12 -1.860 -5.888 -8.862 1.00 0.00 O ATOM 131 CB MET A 12 1.365 -5.859 -9.061 1.00 0.00 C ATOM 132 CG MET A 12 2.739 -5.633 -9.699 1.00 0.00 C ATOM 133 SD MET A 12 3.879 -7.043 -9.551 1.00 0.00 S ATOM 134 CE MET A 12 4.037 -7.204 -7.753 1.00 0.00 C ATOM 0 H MET A 12 -0.308 -3.839 -8.401 1.00 0.00 H new ATOM 0 HA MET A 12 0.528 -5.156 -10.906 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.366 -5.443 -8.053 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.188 -6.930 -8.964 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.602 -5.402 -10.755 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.200 -4.759 -9.239 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.825 -7.920 -7.520 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.288 -6.235 -7.322 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.093 -7.554 -7.335 1.00 0.00 H new ATOM 144 N THR A 13 -1.081 -7.156 -10.558 1.00 0.00 N ATOM 145 CA THR A 13 -2.056 -8.230 -10.481 1.00 0.00 C ATOM 146 C THR A 13 -1.277 -9.546 -10.552 1.00 0.00 C ATOM 147 O THR A 13 -0.348 -9.668 -11.360 1.00 0.00 O ATOM 148 CB THR A 13 -3.078 -8.067 -11.618 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.718 -6.805 -11.547 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.168 -9.134 -11.552 1.00 0.00 C ATOM 0 H THR A 13 -0.421 -7.279 -11.326 1.00 0.00 H new ATOM 0 HA THR A 13 -2.626 -8.214 -9.552 1.00 0.00 H new ATOM 0 HB THR A 13 -2.518 -8.163 -12.548 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.362 -6.723 -12.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.872 -8.986 -12.371 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.715 -10.122 -11.636 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.696 -9.056 -10.602 1.00 0.00 H new ATOM 158 N LEU A 14 -1.613 -10.499 -9.677 1.00 0.00 N ATOM 159 CA LEU A 14 -0.927 -11.776 -9.491 1.00 0.00 C ATOM 160 C LEU A 14 -1.972 -12.848 -9.138 1.00 0.00 C ATOM 161 O LEU A 14 -3.105 -12.512 -8.779 1.00 0.00 O ATOM 162 CB LEU A 14 0.119 -11.661 -8.369 1.00 0.00 C ATOM 163 CG LEU A 14 1.274 -10.660 -8.561 1.00 0.00 C ATOM 164 CD1 LEU A 14 2.050 -10.534 -7.245 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.233 -11.108 -9.666 1.00 0.00 C ATOM 0 H LEU A 14 -2.410 -10.393 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.409 -12.054 -10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.404 -11.396 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.554 -12.648 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 14 0.847 -9.700 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.870 -9.827 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.382 -10.177 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.451 -11.508 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.034 -10.376 -9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.659 -12.077 -9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.690 -11.190 -10.608 1.00 0.00 H new ATOM 177 N THR A 15 -1.609 -14.135 -9.167 1.00 0.00 N ATOM 178 CA THR A 15 -2.513 -15.254 -8.861 1.00 0.00 C ATOM 179 C THR A 15 -1.941 -16.110 -7.711 1.00 0.00 C ATOM 180 O THR A 15 -0.722 -16.171 -7.549 1.00 0.00 O ATOM 181 CB THR A 15 -2.729 -16.086 -10.137 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.871 -15.323 -11.321 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.017 -16.895 -10.077 1.00 0.00 C ATOM 0 H THR A 15 -0.664 -14.435 -9.407 1.00 0.00 H new ATOM 0 HA THR A 15 -3.478 -14.872 -8.527 1.00 0.00 H new ATOM 0 HB THR A 15 -1.828 -16.699 -10.173 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.002 -15.924 -12.084 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.130 -17.467 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.979 -17.577 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.865 -16.220 -9.963 1.00 0.00 H new ATOM 191 N ILE A 16 -2.790 -16.796 -6.937 1.00 0.00 N ATOM 192 CA ILE A 16 -2.425 -17.741 -5.877 1.00 0.00 C ATOM 193 C ILE A 16 -3.366 -18.955 -5.908 1.00 0.00 C ATOM 194 O ILE A 16 -4.507 -18.842 -6.350 1.00 0.00 O ATOM 195 CB ILE A 16 -2.431 -17.059 -4.486 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.761 -16.355 -4.178 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.275 -16.077 -4.263 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.772 -15.707 -2.794 1.00 0.00 C ATOM 0 H ILE A 16 -3.801 -16.702 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.408 -18.087 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.295 -17.888 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.949 -15.593 -4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.575 -17.077 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.353 -15.644 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.326 -16.605 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.323 -15.283 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.734 -15.223 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.613 -16.471 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.977 -14.964 -2.734 1.00 0.00 H new ATOM 210 N VAL A 17 -2.919 -20.106 -5.396 1.00 0.00 N ATOM 211 CA VAL A 17 -3.629 -21.384 -5.405 1.00 0.00 C ATOM 212 C VAL A 17 -3.648 -21.924 -3.972 1.00 0.00 C ATOM 213 O VAL A 17 -2.664 -22.482 -3.474 1.00 0.00 O ATOM 214 CB VAL A 17 -2.998 -22.358 -6.425 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.750 -23.699 -6.454 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.025 -21.778 -7.846 1.00 0.00 C ATOM 0 H VAL A 17 -2.008 -20.172 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.660 -21.257 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.967 -22.511 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.282 -24.363 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.712 -24.159 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.789 -23.527 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.573 -22.489 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.057 -21.589 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.464 -20.844 -7.868 1.00 0.00 H new ATOM 226 N LYS A 18 -4.783 -21.711 -3.301 1.00 0.00 N ATOM 227 CA LYS A 18 -5.049 -22.006 -1.887 1.00 0.00 C ATOM 228 C LYS A 18 -4.732 -23.469 -1.545 1.00 0.00 C ATOM 229 O LYS A 18 -5.453 -24.369 -1.979 1.00 0.00 O ATOM 230 CB LYS A 18 -6.514 -21.637 -1.627 1.00 0.00 C ATOM 231 CG LYS A 18 -6.920 -21.542 -0.151 1.00 0.00 C ATOM 232 CD LYS A 18 -8.412 -21.208 -0.026 1.00 0.00 C ATOM 233 CE LYS A 18 -8.779 -20.856 1.416 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.205 -21.105 1.712 1.00 0.00 N ATOM 0 H LYS A 18 -5.596 -21.300 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.400 -21.422 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.719 -20.679 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.149 -22.378 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.709 -22.486 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.326 -20.775 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.657 -20.372 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.007 -22.058 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.162 -21.441 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.551 -19.806 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.660 -20.215 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.676 -21.476 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.284 -21.799 2.482 1.00 0.00 H new ATOM 248 N GLY A 19 -3.667 -23.718 -0.784 1.00 0.00 N ATOM 249 CA GLY A 19 -3.016 -25.022 -0.646 1.00 0.00 C ATOM 250 C GLY A 19 -3.558 -25.926 0.469 1.00 0.00 C ATOM 251 O GLY A 19 -2.788 -26.689 1.058 1.00 0.00 O ATOM 0 H GLY A 19 -3.217 -22.992 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.105 -25.553 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.953 -24.859 -0.471 1.00 0.00 H new ATOM 255 N ALA A 20 -4.861 -25.861 0.753 1.00 0.00 N ATOM 256 CA ALA A 20 -5.562 -26.501 1.872 1.00 0.00 C ATOM 257 C ALA A 20 -5.045 -26.072 3.248 1.00 0.00 C ATOM 258 O ALA A 20 -3.998 -25.449 3.384 1.00 0.00 O ATOM 259 CB ALA A 20 -5.586 -28.025 1.741 1.00 0.00 C ATOM 0 H ALA A 20 -5.500 -25.323 0.167 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.589 -26.142 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.115 -28.455 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.096 -28.303 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.564 -28.404 1.720 1.00 0.00 H new ATOM 265 N GLN A 21 -5.855 -26.322 4.282 1.00 0.00 N ATOM 266 CA GLN A 21 -5.903 -25.578 5.547 1.00 0.00 C ATOM 267 C GLN A 21 -6.061 -24.056 5.396 1.00 0.00 C ATOM 268 O GLN A 21 -6.373 -23.374 6.375 1.00 0.00 O ATOM 269 CB GLN A 21 -4.731 -25.936 6.471 1.00 0.00 C ATOM 270 CG GLN A 21 -4.727 -27.425 6.855 1.00 0.00 C ATOM 271 CD GLN A 21 -3.908 -27.680 8.117 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.017 -26.938 9.095 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.109 -28.729 8.157 1.00 0.00 N ATOM 0 H GLN A 21 -6.529 -27.087 4.259 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.826 -25.910 6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.792 -25.688 5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.785 -25.330 7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.751 -27.763 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.320 -28.012 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.025 -29.338 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.575 -28.932 9.002 1.00 0.00 H new ATOM 282 N GLY A 22 -5.935 -23.507 4.194 1.00 0.00 N ATOM 283 CA GLY A 22 -6.040 -22.108 3.878 1.00 0.00 C ATOM 284 C GLY A 22 -5.100 -21.836 2.727 1.00 0.00 C ATOM 285 O GLY A 22 -4.791 -22.741 1.948 1.00 0.00 O ATOM 0 H GLY A 22 -5.744 -24.074 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.064 -21.851 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.776 -21.498 4.742 1.00 0.00 H new ATOM 289 N PHE A 23 -4.667 -20.589 2.607 1.00 0.00 N ATOM 290 CA PHE A 23 -3.400 -20.329 1.958 1.00 0.00 C ATOM 291 C PHE A 23 -2.318 -20.513 3.016 1.00 0.00 C ATOM 292 O PHE A 23 -2.554 -20.246 4.204 1.00 0.00 O ATOM 293 CB PHE A 23 -3.348 -18.899 1.422 1.00 0.00 C ATOM 294 CG PHE A 23 -4.483 -18.524 0.495 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.719 -18.115 1.026 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.318 -18.597 -0.900 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.782 -17.818 0.166 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.395 -18.312 -1.752 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.627 -17.908 -1.219 1.00 0.00 C ATOM 0 H PHE A 23 -5.163 -19.763 2.943 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.260 -21.006 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.345 -18.210 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.405 -18.759 0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.848 -18.030 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.360 -18.873 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.733 -17.516 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.275 -18.404 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.451 -17.668 -1.875 1.00 0.00 H new ATOM 309 N GLY A 24 -1.114 -20.874 2.578 1.00 0.00 N ATOM 310 CA GLY A 24 0.056 -20.899 3.433 1.00 0.00 C ATOM 311 C GLY A 24 0.307 -19.498 3.965 1.00 0.00 C ATOM 312 O GLY A 24 0.362 -19.312 5.177 1.00 0.00 O ATOM 0 H GLY A 24 -0.929 -21.157 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.095 -21.594 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.923 -21.251 2.875 1.00 0.00 H new ATOM 316 N PHE A 25 0.451 -18.520 3.062 1.00 0.00 N ATOM 317 CA PHE A 25 0.707 -17.124 3.402 1.00 0.00 C ATOM 318 C PHE A 25 -0.343 -16.568 4.367 1.00 0.00 C ATOM 319 O PHE A 25 -1.464 -17.071 4.489 1.00 0.00 O ATOM 320 CB PHE A 25 0.853 -16.230 2.145 1.00 0.00 C ATOM 321 CG PHE A 25 -0.397 -15.502 1.674 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.354 -16.178 0.908 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.602 -14.143 1.978 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.552 -15.546 0.538 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.769 -13.487 1.545 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.762 -14.195 0.849 1.00 0.00 C ATOM 0 H PHE A 25 0.391 -18.685 2.057 1.00 0.00 H new ATOM 0 HA PHE A 25 1.666 -17.104 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.625 -15.486 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.213 -16.852 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.169 -17.196 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.140 -13.601 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.314 -16.102 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.902 -12.435 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.678 -13.704 0.556 1.00 0.00 H new ATOM 336 N THR A 26 0.025 -15.488 5.037 1.00 0.00 N ATOM 337 CA THR A 26 -0.715 -14.865 6.120 1.00 0.00 C ATOM 338 C THR A 26 -0.863 -13.375 5.808 1.00 0.00 C ATOM 339 O THR A 26 -0.092 -12.828 5.010 1.00 0.00 O ATOM 340 CB THR A 26 0.067 -15.097 7.423 1.00 0.00 C ATOM 341 OG1 THR A 26 1.434 -14.764 7.247 1.00 0.00 O ATOM 342 CG2 THR A 26 0.036 -16.551 7.894 1.00 0.00 C ATOM 0 H THR A 26 0.894 -14.997 4.828 1.00 0.00 H new ATOM 0 HA THR A 26 -1.712 -15.292 6.231 1.00 0.00 H new ATOM 0 HB THR A 26 -0.420 -14.465 8.165 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.969 -15.199 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.606 -16.646 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.996 -16.854 8.072 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.475 -17.191 7.129 1.00 0.00 H new ATOM 350 N ILE A 27 -1.809 -12.688 6.453 1.00 0.00 N ATOM 351 CA ILE A 27 -1.948 -11.242 6.327 1.00 0.00 C ATOM 352 C ILE A 27 -1.939 -10.601 7.710 1.00 0.00 C ATOM 353 O ILE A 27 -2.100 -11.263 8.741 1.00 0.00 O ATOM 354 CB ILE A 27 -3.148 -10.838 5.434 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.516 -11.307 5.957 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.909 -11.383 4.018 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.689 -10.712 5.167 1.00 0.00 C ATOM 0 H ILE A 27 -2.495 -13.119 7.073 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.085 -10.844 5.792 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.196 -9.749 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.565 -12.395 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.613 -11.030 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.746 -11.107 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.988 -10.960 3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.823 -12.469 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.629 -11.078 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.661 -9.625 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.612 -11.010 4.121 1.00 0.00 H new ATOM 369 N ALA A 28 -1.706 -9.298 7.736 1.00 0.00 N ATOM 370 CA ALA A 28 -1.691 -8.483 8.927 1.00 0.00 C ATOM 371 C ALA A 28 -2.365 -7.164 8.597 1.00 0.00 C ATOM 372 O ALA A 28 -2.252 -6.645 7.484 1.00 0.00 O ATOM 373 CB ALA A 28 -0.250 -8.260 9.393 1.00 0.00 C ATOM 0 H ALA A 28 -1.515 -8.763 6.889 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.226 -8.977 9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.250 -7.644 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.215 -9.221 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.313 -7.756 8.607 1.00 0.00 H new ATOM 379 N ASP A 29 -3.033 -6.622 9.604 1.00 0.00 N ATOM 380 CA ASP A 29 -3.730 -5.355 9.517 1.00 0.00 C ATOM 381 C ASP A 29 -2.692 -4.243 9.455 1.00 0.00 C ATOM 382 O ASP A 29 -1.690 -4.281 10.184 1.00 0.00 O ATOM 383 CB ASP A 29 -4.624 -5.216 10.749 1.00 0.00 C ATOM 384 CG ASP A 29 -5.622 -4.075 10.626 1.00 0.00 C ATOM 385 OD1 ASP A 29 -6.295 -3.974 9.576 1.00 0.00 O ATOM 386 OD2 ASP A 29 -5.751 -3.333 11.627 1.00 0.00 O ATOM 0 H ASP A 29 -3.105 -7.062 10.521 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.354 -5.297 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.164 -6.150 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.001 -5.054 11.628 1.00 0.00 H new ATOM 391 N SER A 30 -2.893 -3.274 8.569 1.00 0.00 N ATOM 392 CA SER A 30 -2.012 -2.131 8.400 1.00 0.00 C ATOM 393 C SER A 30 -2.893 -0.871 8.327 1.00 0.00 C ATOM 394 O SER A 30 -4.112 -0.958 8.139 1.00 0.00 O ATOM 395 CB SER A 30 -1.082 -2.385 7.187 1.00 0.00 C ATOM 396 OG SER A 30 -1.699 -2.082 5.961 1.00 0.00 O ATOM 0 H SER A 30 -3.692 -3.264 7.935 1.00 0.00 H new ATOM 0 HA SER A 30 -1.333 -1.976 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.179 -1.784 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.771 -3.430 7.185 1.00 0.00 H new ATOM 0 HG SER A 30 -2.671 -2.172 6.053 1.00 0.00 H new ATOM 402 N PRO A 31 -2.309 0.327 8.463 1.00 0.00 N ATOM 403 CA PRO A 31 -3.064 1.568 8.385 1.00 0.00 C ATOM 404 C PRO A 31 -3.594 1.847 6.973 1.00 0.00 C ATOM 405 O PRO A 31 -4.441 2.725 6.795 1.00 0.00 O ATOM 406 CB PRO A 31 -2.096 2.654 8.844 1.00 0.00 C ATOM 407 CG PRO A 31 -0.704 2.061 8.629 1.00 0.00 C ATOM 408 CD PRO A 31 -0.903 0.564 8.714 1.00 0.00 C ATOM 0 HA PRO A 31 -3.956 1.523 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.228 3.570 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.258 2.910 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.296 2.351 7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.004 2.410 9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.284 0.047 7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.614 0.188 9.696 1.00 0.00 H new ATOM 416 N THR A 32 -3.106 1.112 5.978 1.00 0.00 N ATOM 417 CA THR A 32 -3.299 1.375 4.566 1.00 0.00 C ATOM 418 C THR A 32 -4.228 0.345 3.917 1.00 0.00 C ATOM 419 O THR A 32 -4.364 0.356 2.698 1.00 0.00 O ATOM 420 CB THR A 32 -1.906 1.438 3.914 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.076 0.395 4.397 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.200 2.738 4.296 1.00 0.00 C ATOM 0 H THR A 32 -2.540 0.280 6.148 1.00 0.00 H new ATOM 0 HA THR A 32 -3.805 2.329 4.417 1.00 0.00 H new ATOM 0 HB THR A 32 -2.057 1.359 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.196 0.452 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.216 2.769 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.791 3.587 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.088 2.787 5.379 1.00 0.00 H new ATOM 430 N GLY A 33 -4.831 -0.569 4.684 1.00 0.00 N ATOM 431 CA GLY A 33 -5.478 -1.774 4.176 1.00 0.00 C ATOM 432 C GLY A 33 -4.798 -2.981 4.812 1.00 0.00 C ATOM 433 O GLY A 33 -4.157 -2.854 5.859 1.00 0.00 O ATOM 0 H GLY A 33 -4.882 -0.486 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.541 -1.765 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.397 -1.820 3.090 1.00 0.00 H new ATOM 437 N GLN A 34 -4.918 -4.160 4.217 1.00 0.00 N ATOM 438 CA GLN A 34 -4.182 -5.334 4.670 1.00 0.00 C ATOM 439 C GLN A 34 -2.818 -5.390 4.003 1.00 0.00 C ATOM 440 O GLN A 34 -2.643 -4.928 2.875 1.00 0.00 O ATOM 441 CB GLN A 34 -4.976 -6.608 4.377 1.00 0.00 C ATOM 442 CG GLN A 34 -6.333 -6.608 5.079 1.00 0.00 C ATOM 443 CD GLN A 34 -6.196 -6.309 6.570 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.521 -7.047 7.283 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.783 -5.222 7.053 1.00 0.00 N ATOM 0 H GLN A 34 -5.523 -4.330 3.413 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.037 -5.260 5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.124 -6.704 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.401 -7.476 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.982 -5.864 4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.813 -7.578 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.338 -4.626 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.679 -4.982 8.039 1.00 0.00 H new ATOM 454 N ARG A 35 -1.866 -6.016 4.690 1.00 0.00 N ATOM 455 CA ARG A 35 -0.567 -6.381 4.152 1.00 0.00 C ATOM 456 C ARG A 35 -0.385 -7.873 4.243 1.00 0.00 C ATOM 457 O ARG A 35 -0.968 -8.533 5.101 1.00 0.00 O ATOM 458 CB ARG A 35 0.556 -5.729 4.961 1.00 0.00 C ATOM 459 CG ARG A 35 0.835 -4.289 4.543 1.00 0.00 C ATOM 460 CD ARG A 35 2.151 -3.857 5.189 1.00 0.00 C ATOM 461 NE ARG A 35 2.014 -3.095 6.440 1.00 0.00 N ATOM 462 CZ ARG A 35 2.930 -2.248 6.933 1.00 0.00 C ATOM 463 NH1 ARG A 35 4.071 -2.023 6.285 1.00 0.00 N ATOM 464 NH2 ARG A 35 2.709 -1.633 8.096 1.00 0.00 N ATOM 0 H ARG A 35 -1.985 -6.290 5.665 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.525 -6.043 3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.293 -5.750 6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.467 -6.317 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.900 -4.213 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.022 -3.636 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.749 -4.746 5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.707 -3.252 4.473 1.00 0.00 H new ATOM 0 HE ARG A 35 1.155 -3.221 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.258 -2.497 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.758 -1.376 6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.845 -1.807 8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.404 -0.989 8.472 1.00 0.00 H new ATOM 478 N VAL A 36 0.519 -8.376 3.424 1.00 0.00 N ATOM 479 CA VAL A 36 1.056 -9.718 3.536 1.00 0.00 C ATOM 480 C VAL A 36 1.956 -9.735 4.763 1.00 0.00 C ATOM 481 O VAL A 36 2.929 -8.988 4.836 1.00 0.00 O ATOM 482 CB VAL A 36 1.787 -10.045 2.228 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.549 -11.370 2.294 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.784 -10.085 1.066 1.00 0.00 C ATOM 0 H VAL A 36 0.910 -7.849 2.643 1.00 0.00 H new ATOM 0 HA VAL A 36 0.293 -10.485 3.671 1.00 0.00 H new ATOM 0 HB VAL A 36 2.521 -9.256 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.047 -11.551 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.293 -11.323 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.851 -12.182 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.309 -10.318 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.033 -10.851 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.296 -9.115 0.973 1.00 0.00 H new ATOM 494 N LYS A 37 1.608 -10.580 5.735 1.00 0.00 N ATOM 495 CA LYS A 37 2.446 -10.852 6.889 1.00 0.00 C ATOM 496 C LYS A 37 3.664 -11.627 6.398 1.00 0.00 C ATOM 497 O LYS A 37 4.759 -11.081 6.418 1.00 0.00 O ATOM 498 CB LYS A 37 1.630 -11.568 7.976 1.00 0.00 C ATOM 499 CG LYS A 37 2.520 -12.192 9.068 1.00 0.00 C ATOM 500 CD LYS A 37 1.761 -12.984 10.133 1.00 0.00 C ATOM 501 CE LYS A 37 2.744 -13.318 11.260 1.00 0.00 C ATOM 502 NZ LYS A 37 2.651 -14.721 11.709 1.00 0.00 N ATOM 0 H LYS A 37 0.728 -11.096 5.737 1.00 0.00 H new ATOM 0 HA LYS A 37 2.805 -9.939 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.941 -10.859 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.024 -12.349 7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.247 -12.851 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.083 -11.397 9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.923 -12.402 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.345 -13.897 9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.760 -13.118 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.555 -12.658 12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.338 -14.888 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.691 -14.910 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.858 -15.355 10.911 1.00 0.00 H new ATOM 516 N GLN A 38 3.492 -12.876 5.963 1.00 0.00 N ATOM 517 CA GLN A 38 4.583 -13.761 5.575 1.00 0.00 C ATOM 518 C GLN A 38 4.054 -14.745 4.533 1.00 0.00 C ATOM 519 O GLN A 38 2.874 -15.098 4.574 1.00 0.00 O ATOM 520 CB GLN A 38 5.063 -14.508 6.833 1.00 0.00 C ATOM 521 CG GLN A 38 6.334 -15.328 6.578 1.00 0.00 C ATOM 522 CD GLN A 38 6.844 -16.055 7.815 1.00 0.00 C ATOM 523 OE1 GLN A 38 6.252 -16.018 8.889 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.917 -16.807 7.658 1.00 0.00 N ATOM 0 H GLN A 38 2.572 -13.306 5.870 1.00 0.00 H new ATOM 0 HA GLN A 38 5.417 -13.205 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.252 -13.788 7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.271 -15.170 7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.135 -16.058 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.116 -14.666 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.398 -16.827 6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.265 -17.368 8.436 1.00 0.00 H new ATOM 533 N ILE A 39 4.918 -15.240 3.643 1.00 0.00 N ATOM 534 CA ILE A 39 4.557 -16.154 2.563 1.00 0.00 C ATOM 535 C ILE A 39 5.225 -17.494 2.859 1.00 0.00 C ATOM 536 O ILE A 39 6.391 -17.718 2.536 1.00 0.00 O ATOM 537 CB ILE A 39 4.879 -15.545 1.181 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.205 -14.163 1.026 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.436 -16.496 0.053 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.547 -13.465 -0.285 1.00 0.00 C ATOM 0 H ILE A 39 5.911 -15.009 3.656 1.00 0.00 H new ATOM 0 HA ILE A 39 3.482 -16.325 2.517 1.00 0.00 H new ATOM 0 HB ILE A 39 5.958 -15.409 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.124 -14.285 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.506 -13.525 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.671 -16.049 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.961 -17.446 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.362 -16.666 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.040 -12.501 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.624 -13.311 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.221 -14.083 -1.122 1.00 0.00 H new ATOM 552 N LEU A 40 4.471 -18.351 3.549 1.00 0.00 N ATOM 553 CA LEU A 40 4.918 -19.648 4.051 1.00 0.00 C ATOM 554 C LEU A 40 4.846 -20.738 2.979 1.00 0.00 C ATOM 555 O LEU A 40 5.477 -21.784 3.131 1.00 0.00 O ATOM 556 CB LEU A 40 4.023 -20.067 5.229 1.00 0.00 C ATOM 557 CG LEU A 40 4.008 -19.075 6.407 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.918 -19.486 7.389 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.358 -19.023 7.117 1.00 0.00 C ATOM 0 H LEU A 40 3.498 -18.152 3.781 1.00 0.00 H new ATOM 0 HA LEU A 40 5.958 -19.540 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.003 -20.195 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.356 -21.039 5.594 1.00 0.00 H new ATOM 0 HG LEU A 40 3.805 -18.078 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.901 -18.788 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.951 -19.473 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.121 -20.491 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.308 -18.312 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.604 -20.012 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.128 -18.708 6.413 1.00 0.00 H new ATOM 571 N ASP A 41 4.081 -20.525 1.910 1.00 0.00 N ATOM 572 CA ASP A 41 3.950 -21.449 0.786 1.00 0.00 C ATOM 573 C ASP A 41 4.315 -20.673 -0.464 1.00 0.00 C ATOM 574 O ASP A 41 3.499 -19.957 -1.039 1.00 0.00 O ATOM 575 CB ASP A 41 2.548 -22.059 0.699 1.00 0.00 C ATOM 576 CG ASP A 41 2.368 -22.900 -0.574 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.355 -23.270 -1.243 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.197 -23.200 -0.913 1.00 0.00 O ATOM 0 H ASP A 41 3.519 -19.681 1.799 1.00 0.00 H new ATOM 0 HA ASP A 41 4.618 -22.301 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.368 -22.683 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.804 -21.263 0.717 1.00 0.00 H new ATOM 583 N ILE A 42 5.593 -20.737 -0.813 1.00 0.00 N ATOM 584 CA ILE A 42 6.168 -19.997 -1.923 1.00 0.00 C ATOM 585 C ILE A 42 5.665 -20.554 -3.256 1.00 0.00 C ATOM 586 O ILE A 42 5.590 -19.816 -4.239 1.00 0.00 O ATOM 587 CB ILE A 42 7.703 -20.057 -1.747 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.048 -19.067 -0.618 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.485 -19.726 -3.024 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.491 -19.138 -0.118 1.00 0.00 C ATOM 0 H ILE A 42 6.271 -21.318 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 42 5.861 -18.951 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 42 7.998 -21.078 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.850 -18.054 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.378 -19.249 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.554 -19.789 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.221 -20.437 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.236 -18.717 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.638 -18.405 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.693 -20.137 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.172 -18.923 -0.941 1.00 0.00 H new ATOM 602 N GLN A 43 5.344 -21.847 -3.303 1.00 0.00 N ATOM 603 CA GLN A 43 4.842 -22.508 -4.494 1.00 0.00 C ATOM 604 C GLN A 43 3.399 -22.092 -4.752 1.00 0.00 C ATOM 605 O GLN A 43 3.113 -21.523 -5.799 1.00 0.00 O ATOM 606 CB GLN A 43 4.969 -24.035 -4.335 1.00 0.00 C ATOM 607 CG GLN A 43 6.093 -24.647 -5.187 1.00 0.00 C ATOM 608 CD GLN A 43 5.600 -25.914 -5.881 1.00 0.00 C ATOM 609 OE1 GLN A 43 5.206 -26.876 -5.230 1.00 0.00 O ATOM 610 NE2 GLN A 43 5.537 -25.939 -7.206 1.00 0.00 N ATOM 0 H GLN A 43 5.429 -22.469 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 43 5.436 -22.207 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.150 -24.270 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.022 -24.501 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.430 -23.924 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.951 -24.880 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.865 -25.139 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.161 -26.758 -7.683 1.00 0.00 H new ATOM 619 N GLY A 44 2.498 -22.365 -3.807 1.00 0.00 N ATOM 620 CA GLY A 44 1.068 -22.145 -3.967 1.00 0.00 C ATOM 621 C GLY A 44 0.676 -20.685 -3.791 1.00 0.00 C ATOM 622 O GLY A 44 -0.480 -20.336 -4.027 1.00 0.00 O ATOM 0 H GLY A 44 2.750 -22.751 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.761 -22.483 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.527 -22.752 -3.241 1.00 0.00 H new ATOM 626 N CYS A 45 1.608 -19.806 -3.422 1.00 0.00 N ATOM 627 CA CYS A 45 1.428 -18.369 -3.530 1.00 0.00 C ATOM 628 C CYS A 45 2.530 -17.826 -4.459 1.00 0.00 C ATOM 629 O CYS A 45 3.423 -17.118 -3.987 1.00 0.00 O ATOM 630 CB CYS A 45 1.383 -17.725 -2.132 1.00 0.00 C ATOM 631 SG CYS A 45 0.311 -18.647 -0.984 1.00 0.00 S ATOM 0 H CYS A 45 2.513 -20.079 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 45 0.469 -18.110 -3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.392 -17.676 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.024 -16.699 -2.218 1.00 0.00 H new ATOM 0 HG CYS A 45 0.954 -18.873 0.123 1.00 0.00 H new ATOM 637 N PRO A 46 2.522 -18.182 -5.760 1.00 0.00 N ATOM 638 CA PRO A 46 3.622 -17.884 -6.660 1.00 0.00 C ATOM 639 C PRO A 46 3.683 -16.387 -6.948 1.00 0.00 C ATOM 640 O PRO A 46 2.654 -15.710 -6.999 1.00 0.00 O ATOM 641 CB PRO A 46 3.348 -18.697 -7.927 1.00 0.00 C ATOM 642 CG PRO A 46 1.824 -18.760 -7.972 1.00 0.00 C ATOM 643 CD PRO A 46 1.458 -18.853 -6.493 1.00 0.00 C ATOM 0 HA PRO A 46 4.589 -18.148 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.758 -18.213 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.792 -19.691 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.394 -17.876 -8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.469 -19.624 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.496 -18.378 -6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.368 -19.893 -6.180 1.00 0.00 H new ATOM 651 N GLY A 47 4.894 -15.863 -7.134 1.00 0.00 N ATOM 652 CA GLY A 47 5.126 -14.474 -7.505 1.00 0.00 C ATOM 653 C GLY A 47 4.748 -13.449 -6.435 1.00 0.00 C ATOM 654 O GLY A 47 5.023 -12.264 -6.618 1.00 0.00 O ATOM 0 H GLY A 47 5.753 -16.403 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.181 -14.350 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.561 -14.256 -8.411 1.00 0.00 H new ATOM 658 N LEU A 48 4.105 -13.878 -5.349 1.00 0.00 N ATOM 659 CA LEU A 48 3.599 -13.019 -4.296 1.00 0.00 C ATOM 660 C LEU A 48 4.800 -12.542 -3.492 1.00 0.00 C ATOM 661 O LEU A 48 5.667 -13.362 -3.154 1.00 0.00 O ATOM 662 CB LEU A 48 2.564 -13.823 -3.482 1.00 0.00 C ATOM 663 CG LEU A 48 1.516 -12.932 -2.792 1.00 0.00 C ATOM 664 CD1 LEU A 48 0.222 -13.702 -2.562 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.775 -12.331 -1.438 1.00 0.00 C ATOM 0 H LEU A 48 3.920 -14.867 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 48 3.081 -12.132 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.057 -14.525 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.083 -14.414 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 48 1.512 -12.114 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.505 -13.054 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.177 -14.038 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.421 -14.567 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.913 -11.739 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.944 -13.127 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.656 -11.691 -1.486 1.00 0.00 H new ATOM 677 N CYS A 49 4.889 -11.242 -3.202 1.00 0.00 N ATOM 678 CA CYS A 49 6.022 -10.686 -2.485 1.00 0.00 C ATOM 679 C CYS A 49 5.598 -10.231 -1.088 1.00 0.00 C ATOM 680 O CYS A 49 4.437 -9.944 -0.791 1.00 0.00 O ATOM 681 CB CYS A 49 6.658 -9.548 -3.284 1.00 0.00 C ATOM 682 SG CYS A 49 7.196 -10.078 -4.942 1.00 0.00 S ATOM 0 H CYS A 49 4.180 -10.555 -3.458 1.00 0.00 H new ATOM 0 HA CYS A 49 6.778 -11.462 -2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.942 -8.732 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.515 -9.157 -2.735 1.00 0.00 H new ATOM 0 HG CYS A 49 6.309 -10.882 -5.450 1.00 0.00 H new ATOM 688 N GLU A 50 6.576 -10.202 -0.194 1.00 0.00 N ATOM 689 CA GLU A 50 6.363 -9.929 1.220 1.00 0.00 C ATOM 690 C GLU A 50 5.886 -8.482 1.398 1.00 0.00 C ATOM 691 O GLU A 50 6.267 -7.600 0.627 1.00 0.00 O ATOM 692 CB GLU A 50 7.679 -10.221 1.951 1.00 0.00 C ATOM 693 CG GLU A 50 7.878 -11.738 2.120 1.00 0.00 C ATOM 694 CD GLU A 50 9.355 -12.110 2.239 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.986 -11.760 3.267 1.00 0.00 O ATOM 696 OE2 GLU A 50 9.887 -12.768 1.314 1.00 0.00 O ATOM 0 H GLU A 50 7.553 -10.370 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 50 5.585 -10.563 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.514 -9.799 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.674 -9.738 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.346 -12.077 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.440 -12.259 1.268 1.00 0.00 H new ATOM 703 N GLY A 51 5.059 -8.216 2.413 1.00 0.00 N ATOM 704 CA GLY A 51 4.521 -6.894 2.736 1.00 0.00 C ATOM 705 C GLY A 51 3.655 -6.234 1.653 1.00 0.00 C ATOM 706 O GLY A 51 3.336 -5.056 1.811 1.00 0.00 O ATOM 0 H GLY A 51 4.735 -8.941 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.927 -6.978 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.355 -6.229 2.960 1.00 0.00 H new ATOM 710 N ASP A 52 3.287 -6.938 0.574 1.00 0.00 N ATOM 711 CA ASP A 52 2.425 -6.410 -0.494 1.00 0.00 C ATOM 712 C ASP A 52 1.066 -6.006 0.105 1.00 0.00 C ATOM 713 O ASP A 52 0.539 -6.703 0.979 1.00 0.00 O ATOM 714 CB ASP A 52 2.253 -7.455 -1.623 1.00 0.00 C ATOM 715 CG ASP A 52 3.375 -7.509 -2.677 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.211 -6.571 -2.755 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.387 -8.502 -3.441 1.00 0.00 O ATOM 0 H ASP A 52 3.583 -7.901 0.416 1.00 0.00 H new ATOM 0 HA ASP A 52 2.891 -5.529 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.164 -8.441 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.312 -7.255 -2.135 1.00 0.00 H new ATOM 722 N LEU A 53 0.506 -4.874 -0.335 1.00 0.00 N ATOM 723 CA LEU A 53 -0.744 -4.288 0.155 1.00 0.00 C ATOM 724 C LEU A 53 -1.923 -4.785 -0.674 1.00 0.00 C ATOM 725 O LEU A 53 -1.899 -4.649 -1.894 1.00 0.00 O ATOM 726 CB LEU A 53 -0.718 -2.757 0.019 1.00 0.00 C ATOM 727 CG LEU A 53 -1.939 -2.121 0.722 1.00 0.00 C ATOM 728 CD1 LEU A 53 -1.572 -1.720 2.149 1.00 0.00 C ATOM 729 CD2 LEU A 53 -2.476 -0.944 -0.093 1.00 0.00 C ATOM 0 H LEU A 53 0.932 -4.317 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.849 -4.580 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.202 -2.365 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.716 -2.481 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.742 -2.855 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.439 -1.273 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.258 -2.603 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.756 -0.997 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.335 -0.510 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.697 -0.189 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.779 -1.293 -1.080 1.00 0.00 H new ATOM 741 N ILE A 54 -2.978 -5.281 -0.033 1.00 0.00 N ATOM 742 CA ILE A 54 -4.150 -5.837 -0.704 1.00 0.00 C ATOM 743 C ILE A 54 -5.106 -4.714 -1.143 1.00 0.00 C ATOM 744 O ILE A 54 -5.493 -3.870 -0.336 1.00 0.00 O ATOM 745 CB ILE A 54 -4.803 -6.880 0.240 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.790 -8.018 0.521 1.00 0.00 C ATOM 747 CG2 ILE A 54 -6.125 -7.470 -0.280 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.323 -9.202 1.334 1.00 0.00 C ATOM 0 H ILE A 54 -3.044 -5.308 0.985 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.868 -6.351 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.061 -6.347 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.421 -8.394 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.935 -7.595 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.511 -8.189 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.851 -6.669 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.950 -7.970 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.529 -9.937 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.663 -8.851 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.157 -9.662 0.803 1.00 0.00 H new ATOM 760 N VAL A 55 -5.530 -4.738 -2.411 1.00 0.00 N ATOM 761 CA VAL A 55 -6.482 -3.807 -3.025 1.00 0.00 C ATOM 762 C VAL A 55 -7.733 -4.574 -3.448 1.00 0.00 C ATOM 763 O VAL A 55 -8.830 -4.231 -3.004 1.00 0.00 O ATOM 764 CB VAL A 55 -5.783 -3.088 -4.202 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.738 -2.214 -5.020 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.610 -2.237 -3.691 1.00 0.00 C ATOM 0 H VAL A 55 -5.201 -5.444 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.803 -3.041 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.413 -3.870 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.189 -1.736 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.533 -2.834 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.173 -1.449 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.129 -1.738 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.981 -1.490 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.887 -2.879 -3.188 1.00 0.00 H new ATOM 776 N GLU A 56 -7.582 -5.629 -4.253 1.00 0.00 N ATOM 777 CA GLU A 56 -8.672 -6.531 -4.600 1.00 0.00 C ATOM 778 C GLU A 56 -8.265 -7.957 -4.260 1.00 0.00 C ATOM 779 O GLU A 56 -7.081 -8.312 -4.301 1.00 0.00 O ATOM 780 CB GLU A 56 -9.071 -6.426 -6.086 1.00 0.00 C ATOM 781 CG GLU A 56 -9.960 -5.216 -6.367 1.00 0.00 C ATOM 782 CD GLU A 56 -10.740 -5.377 -7.671 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.103 -5.464 -8.744 1.00 0.00 O ATOM 784 OE2 GLU A 56 -11.983 -5.482 -7.619 1.00 0.00 O ATOM 0 H GLU A 56 -6.691 -5.879 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.548 -6.242 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.171 -6.362 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.594 -7.335 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.657 -5.077 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.345 -4.317 -6.419 1.00 0.00 H new ATOM 791 N ILE A 57 -9.282 -8.767 -3.987 1.00 0.00 N ATOM 792 CA ILE A 57 -9.280 -10.222 -4.083 1.00 0.00 C ATOM 793 C ILE A 57 -10.476 -10.511 -4.996 1.00 0.00 C ATOM 794 O ILE A 57 -11.530 -9.901 -4.797 1.00 0.00 O ATOM 795 CB ILE A 57 -9.431 -10.907 -2.710 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.285 -10.565 -1.734 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.537 -12.438 -2.863 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.817 -10.486 -0.307 1.00 0.00 C ATOM 0 H ILE A 57 -10.183 -8.404 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.338 -10.613 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.354 -10.516 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.504 -11.323 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.830 -9.615 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.643 -12.896 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.407 -12.683 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.637 -12.819 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.000 -10.244 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.581 -9.711 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.250 -11.446 -0.027 1.00 0.00 H new ATOM 810 N ASN A 58 -10.311 -11.403 -5.974 1.00 0.00 N ATOM 811 CA ASN A 58 -11.293 -11.869 -6.956 1.00 0.00 C ATOM 812 C ASN A 58 -12.296 -10.786 -7.374 1.00 0.00 C ATOM 813 O ASN A 58 -13.513 -10.997 -7.310 1.00 0.00 O ATOM 814 CB ASN A 58 -12.012 -13.138 -6.458 1.00 0.00 C ATOM 815 CG ASN A 58 -11.158 -14.395 -6.416 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.052 -14.455 -6.951 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.686 -15.434 -5.801 1.00 0.00 N ATOM 0 H ASN A 58 -9.408 -11.858 -6.112 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.731 -12.119 -7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.398 -12.947 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.872 -13.324 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.175 -16.316 -5.760 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.605 -15.356 -5.366 1.00 0.00 H new ATOM 824 N GLN A 59 -11.810 -9.647 -7.879 1.00 0.00 N ATOM 825 CA GLN A 59 -12.662 -8.610 -8.453 1.00 0.00 C ATOM 826 C GLN A 59 -13.663 -8.020 -7.446 1.00 0.00 C ATOM 827 O GLN A 59 -14.736 -7.549 -7.837 1.00 0.00 O ATOM 828 CB GLN A 59 -13.306 -9.151 -9.749 1.00 0.00 C ATOM 829 CG GLN A 59 -12.842 -8.425 -11.008 1.00 0.00 C ATOM 830 CD GLN A 59 -13.804 -8.773 -12.134 1.00 0.00 C ATOM 831 OE1 GLN A 59 -14.814 -8.097 -12.328 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.564 -9.870 -12.831 1.00 0.00 N ATOM 0 H GLN A 59 -10.815 -9.422 -7.899 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.047 -7.750 -8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.075 -10.212 -9.845 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.390 -9.067 -9.669 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.824 -7.348 -10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.827 -8.725 -11.268 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.720 -10.414 -12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.223 -10.173 -13.548 1.00 0.00 H new ATOM 841 N GLN A 60 -13.373 -8.054 -6.148 1.00 0.00 N ATOM 842 CA GLN A 60 -14.121 -7.365 -5.126 1.00 0.00 C ATOM 843 C GLN A 60 -13.137 -6.430 -4.421 1.00 0.00 C ATOM 844 O GLN A 60 -12.052 -6.865 -4.012 1.00 0.00 O ATOM 845 CB GLN A 60 -14.777 -8.419 -4.226 1.00 0.00 C ATOM 846 CG GLN A 60 -15.170 -7.843 -2.866 1.00 0.00 C ATOM 847 CD GLN A 60 -15.916 -8.855 -2.003 1.00 0.00 C ATOM 848 OE1 GLN A 60 -17.061 -8.652 -1.614 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.291 -9.969 -1.667 1.00 0.00 N ATOM 0 H GLN A 60 -12.583 -8.582 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.937 -6.749 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.662 -8.818 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.089 -9.252 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.274 -7.512 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.796 -6.963 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.339 -10.137 -1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.761 -10.661 -1.084 1.00 0.00 H new ATOM 858 N ASN A 61 -13.514 -5.153 -4.288 1.00 0.00 N ATOM 859 CA ASN A 61 -12.673 -4.129 -3.674 1.00 0.00 C ATOM 860 C ASN A 61 -12.590 -4.322 -2.172 1.00 0.00 C ATOM 861 O ASN A 61 -13.625 -4.337 -1.500 1.00 0.00 O ATOM 862 CB ASN A 61 -13.184 -2.714 -3.949 1.00 0.00 C ATOM 863 CG ASN A 61 -12.070 -1.737 -3.595 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.879 -1.374 -2.439 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.264 -1.328 -4.554 1.00 0.00 N ATOM 0 H ASN A 61 -14.418 -4.803 -4.607 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.687 -4.241 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.467 -2.607 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.075 -2.508 -3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.482 -0.710 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.422 -1.629 -5.516 1.00 0.00 H new ATOM 872 N VAL A 62 -11.376 -4.392 -1.630 1.00 0.00 N ATOM 873 CA VAL A 62 -11.129 -4.608 -0.209 1.00 0.00 C ATOM 874 C VAL A 62 -10.166 -3.567 0.379 1.00 0.00 C ATOM 875 O VAL A 62 -9.601 -3.777 1.456 1.00 0.00 O ATOM 876 CB VAL A 62 -10.691 -6.057 0.037 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.716 -7.067 -0.481 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.350 -6.400 -0.612 1.00 0.00 C ATOM 0 H VAL A 62 -10.521 -4.298 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.063 -4.459 0.332 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.599 -6.127 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.361 -8.079 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.668 -6.911 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.850 -6.932 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.098 -7.439 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.420 -6.256 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.574 -5.749 -0.209 1.00 0.00 H new ATOM 888 N GLN A 63 -9.954 -2.434 -0.299 1.00 0.00 N ATOM 889 CA GLN A 63 -9.167 -1.340 0.263 1.00 0.00 C ATOM 890 C GLN A 63 -9.836 -0.720 1.507 1.00 0.00 C ATOM 891 O GLN A 63 -9.168 -0.029 2.281 1.00 0.00 O ATOM 892 CB GLN A 63 -8.882 -0.288 -0.826 1.00 0.00 C ATOM 893 CG GLN A 63 -7.721 -0.701 -1.725 1.00 0.00 C ATOM 894 CD GLN A 63 -6.907 0.476 -2.264 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.039 0.899 -3.413 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.004 0.987 -1.451 1.00 0.00 N ATOM 0 H GLN A 63 -10.317 -2.254 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.216 -1.745 0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.776 -0.141 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.655 0.669 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.059 -1.363 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.111 -1.276 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.908 0.624 -0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.401 1.745 -1.770 1.00 0.00 H new ATOM 905 N ASN A 64 -11.128 -0.984 1.732 1.00 0.00 N ATOM 906 CA ASN A 64 -11.990 -0.330 2.718 1.00 0.00 C ATOM 907 C ASN A 64 -12.545 -1.357 3.720 1.00 0.00 C ATOM 908 O ASN A 64 -13.565 -1.103 4.362 1.00 0.00 O ATOM 909 CB ASN A 64 -13.151 0.415 2.017 1.00 0.00 C ATOM 910 CG ASN A 64 -12.745 1.277 0.828 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.586 2.483 0.951 1.00 0.00 O ATOM 912 ND2 ASN A 64 -12.563 0.698 -0.353 1.00 0.00 N ATOM 0 H ASN A 64 -11.626 -1.699 1.201 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.390 0.397 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.882 -0.320 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.651 1.048 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.290 1.259 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.696 -0.308 -0.454 1.00 0.00 H new ATOM 919 N LEU A 65 -11.947 -2.553 3.815 1.00 0.00 N ATOM 920 CA LEU A 65 -12.436 -3.651 4.647 1.00 0.00 C ATOM 921 C LEU A 65 -11.504 -3.904 5.830 1.00 0.00 C ATOM 922 O LEU A 65 -10.282 -3.772 5.718 1.00 0.00 O ATOM 923 CB LEU A 65 -12.606 -4.922 3.808 1.00 0.00 C ATOM 924 CG LEU A 65 -13.790 -4.938 2.822 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.974 -6.365 2.294 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.119 -4.457 3.415 1.00 0.00 C ATOM 0 H LEU A 65 -11.095 -2.784 3.305 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.409 -3.366 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.688 -5.084 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.715 -5.768 4.487 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.536 -4.234 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.810 -6.389 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.065 -6.684 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.178 -7.038 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.896 -4.502 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.396 -5.097 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.011 -3.430 3.763 1.00 0.00 H new ATOM 938 N SER A 66 -12.096 -4.325 6.949 1.00 0.00 N ATOM 939 CA SER A 66 -11.389 -4.660 8.182 1.00 0.00 C ATOM 940 C SER A 66 -10.710 -6.011 7.987 1.00 0.00 C ATOM 941 O SER A 66 -11.319 -6.854 7.347 1.00 0.00 O ATOM 942 CB SER A 66 -12.403 -4.778 9.325 1.00 0.00 C ATOM 943 OG SER A 66 -13.251 -3.643 9.369 1.00 0.00 O ATOM 0 H SER A 66 -13.106 -4.445 7.023 1.00 0.00 H new ATOM 0 HA SER A 66 -10.654 -3.891 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.002 -5.679 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.877 -4.881 10.274 1.00 0.00 H new ATOM 0 HG SER A 66 -13.891 -3.741 10.105 1.00 0.00 H new ATOM 949 N HIS A 67 -9.547 -6.271 8.596 1.00 0.00 N ATOM 950 CA HIS A 67 -8.777 -7.540 8.538 1.00 0.00 C ATOM 951 C HIS A 67 -9.642 -8.799 8.667 1.00 0.00 C ATOM 952 O HIS A 67 -9.347 -9.805 8.040 1.00 0.00 O ATOM 953 CB HIS A 67 -7.753 -7.526 9.677 1.00 0.00 C ATOM 954 CG HIS A 67 -6.962 -8.800 9.845 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.798 -9.097 9.180 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.268 -9.864 10.655 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.402 -10.315 9.584 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.259 -10.823 10.487 1.00 0.00 N ATOM 0 H HIS A 67 -9.085 -5.571 9.176 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.308 -7.588 7.555 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.057 -6.704 9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.275 -7.315 10.611 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.321 -8.501 8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.128 -9.948 11.303 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.514 -10.819 9.231 1.00 0.00 H new ATOM 966 N THR A 68 -10.710 -8.770 9.440 1.00 0.00 N ATOM 967 CA THR A 68 -11.585 -9.914 9.616 1.00 0.00 C ATOM 968 C THR A 68 -12.334 -10.276 8.325 1.00 0.00 C ATOM 969 O THR A 68 -12.541 -11.449 8.042 1.00 0.00 O ATOM 970 CB THR A 68 -12.529 -9.561 10.779 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.863 -8.732 11.725 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.956 -10.825 11.498 1.00 0.00 C ATOM 0 H THR A 68 -10.998 -7.946 9.968 1.00 0.00 H new ATOM 0 HA THR A 68 -11.013 -10.811 9.853 1.00 0.00 H new ATOM 0 HB THR A 68 -13.393 -9.041 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.476 -8.514 12.458 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.624 -10.568 12.320 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.475 -11.483 10.801 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.076 -11.335 11.891 1.00 0.00 H new ATOM 980 N GLU A 69 -12.689 -9.286 7.510 1.00 0.00 N ATOM 981 CA GLU A 69 -13.552 -9.374 6.339 1.00 0.00 C ATOM 982 C GLU A 69 -12.799 -9.981 5.156 1.00 0.00 C ATOM 983 O GLU A 69 -13.268 -10.898 4.487 1.00 0.00 O ATOM 984 CB GLU A 69 -13.998 -7.934 6.024 1.00 0.00 C ATOM 985 CG GLU A 69 -14.837 -7.311 7.140 1.00 0.00 C ATOM 986 CD GLU A 69 -16.202 -7.994 7.187 1.00 0.00 C ATOM 987 OE1 GLU A 69 -17.044 -7.729 6.307 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.418 -8.897 8.029 1.00 0.00 O ATOM 0 H GLU A 69 -12.356 -8.334 7.663 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.410 -10.019 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.117 -7.316 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.575 -7.932 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.329 -7.422 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.958 -6.242 6.966 1.00 0.00 H new ATOM 995 N VAL A 70 -11.615 -9.441 4.912 1.00 0.00 N ATOM 996 CA VAL A 70 -10.549 -9.795 4.009 1.00 0.00 C ATOM 997 C VAL A 70 -10.017 -11.195 4.280 1.00 0.00 C ATOM 998 O VAL A 70 -9.796 -11.963 3.344 1.00 0.00 O ATOM 999 CB VAL A 70 -9.499 -8.674 4.191 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -9.887 -7.509 3.292 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.236 -8.174 5.575 1.00 0.00 C ATOM 0 H VAL A 70 -11.347 -8.607 5.435 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.874 -9.852 2.970 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.553 -9.142 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.159 -6.705 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.905 -7.841 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.875 -7.146 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.478 -7.392 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.156 -7.770 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.882 -8.996 6.198 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.840 -11.545 5.553 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.593 -12.919 5.965 1.00 0.00 C ATOM 1013 C VAL A 71 -10.763 -13.778 5.501 1.00 0.00 C ATOM 1014 O VAL A 71 -10.547 -14.804 4.860 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.415 -12.944 7.495 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.594 -14.312 8.140 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.008 -12.484 7.837 1.00 0.00 C ATOM 0 H VAL A 71 -9.865 -10.880 6.326 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.685 -13.321 5.517 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.196 -12.291 7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.450 -14.228 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.599 -14.682 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.862 -15.007 7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.873 -12.499 8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.284 -13.153 7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.856 -11.470 7.466 1.00 0.00 H new ATOM 1027 N ASP A 72 -11.983 -13.349 5.807 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.191 -14.145 5.541 1.00 0.00 C ATOM 1029 C ASP A 72 -13.355 -14.438 4.049 1.00 0.00 C ATOM 1030 O ASP A 72 -13.653 -15.562 3.664 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.454 -13.440 6.060 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.485 -14.442 6.552 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -16.189 -15.076 5.740 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.555 -14.619 7.796 1.00 0.00 O ATOM 0 H ASP A 72 -12.169 -12.446 6.244 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.065 -15.088 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.187 -12.762 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.886 -12.832 5.265 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.082 -13.453 3.194 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.076 -13.585 1.743 1.00 0.00 C ATOM 1041 C ILE A 73 -12.058 -14.642 1.321 1.00 0.00 C ATOM 1042 O ILE A 73 -12.383 -15.538 0.544 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.772 -12.203 1.134 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -13.992 -11.285 1.350 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.424 -12.281 -0.363 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.608 -9.807 1.393 1.00 0.00 C ATOM 0 H ILE A 73 -12.851 -12.510 3.506 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.047 -13.919 1.377 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.894 -11.797 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.712 -11.447 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.487 -11.556 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.219 -11.280 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.543 -12.908 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.263 -12.710 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.502 -9.203 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.909 -9.636 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.138 -9.526 0.451 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.817 -14.547 1.810 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.792 -15.539 1.497 1.00 0.00 C ATOM 1060 C LEU A 74 -10.226 -16.923 1.997 1.00 0.00 C ATOM 1061 O LEU A 74 -9.871 -17.941 1.407 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.434 -15.117 2.088 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.800 -13.895 1.394 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.642 -13.357 2.247 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.264 -14.221 -0.008 1.00 0.00 C ATOM 0 H LEU A 74 -10.502 -13.794 2.422 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.672 -15.599 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.564 -14.894 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.744 -15.958 2.022 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.588 -13.149 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.197 -12.493 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.018 -13.061 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.888 -14.134 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.829 -13.324 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.501 -14.996 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.081 -14.575 -0.637 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.027 -16.997 3.055 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.577 -18.260 3.515 1.00 0.00 C ATOM 1079 C LYS A 75 -12.661 -18.730 2.548 1.00 0.00 C ATOM 1080 O LYS A 75 -12.661 -19.910 2.203 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.030 -18.128 4.975 1.00 0.00 C ATOM 1082 CG LYS A 75 -10.791 -17.913 5.862 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.091 -17.256 7.200 1.00 0.00 C ATOM 1084 CE LYS A 75 -11.970 -18.121 8.089 1.00 0.00 C ATOM 1085 NZ LYS A 75 -12.122 -17.538 9.431 1.00 0.00 N ATOM 0 H LYS A 75 -11.309 -16.190 3.611 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.819 -19.044 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.720 -17.291 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.566 -19.025 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.314 -18.877 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.072 -17.298 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.154 -17.045 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.583 -16.299 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.951 -18.237 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.536 -19.118 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.727 -18.154 10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.188 -17.450 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.559 -16.597 9.353 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.542 -17.866 2.054 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.578 -18.241 1.086 1.00 0.00 C ATOM 1101 C ASP A 76 -14.002 -18.613 -0.292 1.00 0.00 C ATOM 1102 O ASP A 76 -14.674 -19.261 -1.095 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.612 -17.115 0.960 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.898 -17.551 0.255 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.242 -18.755 0.241 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.616 -16.654 -0.243 1.00 0.00 O ATOM 0 H ASP A 76 -13.561 -16.880 2.313 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.066 -19.138 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.859 -16.745 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.169 -16.284 0.411 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.745 -18.249 -0.575 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.022 -18.720 -1.754 1.00 0.00 C ATOM 1113 C CYS A 77 -11.895 -20.253 -1.716 1.00 0.00 C ATOM 1114 O CYS A 77 -11.611 -20.824 -0.656 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.633 -18.079 -1.821 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.787 -16.284 -2.064 1.00 0.00 S ATOM 0 H CYS A 77 -12.202 -17.616 0.013 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.581 -18.432 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.084 -18.284 -0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.060 -18.517 -2.639 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.420 -15.762 -1.055 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.040 -20.927 -2.866 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.821 -22.359 -3.019 1.00 0.00 C ATOM 1124 C PRO A 78 -10.407 -22.750 -2.631 1.00 0.00 C ATOM 1125 O PRO A 78 -9.439 -22.059 -2.949 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.029 -22.672 -4.502 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.632 -21.410 -5.106 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.321 -20.302 -4.140 1.00 0.00 C ATOM 0 HA PRO A 78 -12.505 -22.911 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.085 -22.926 -4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.694 -23.526 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.205 -21.204 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.708 -21.518 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.466 -19.719 -4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.162 -19.614 -4.056 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.291 -23.915 -2.009 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.052 -24.663 -1.946 1.00 0.00 C ATOM 1138 C ILE A 79 -8.805 -25.207 -3.356 1.00 0.00 C ATOM 1139 O ILE A 79 -9.736 -25.702 -4.003 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.189 -25.731 -0.846 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.062 -25.019 0.519 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.116 -26.829 -0.972 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.435 -25.890 1.722 1.00 0.00 C ATOM 0 H ILE A 79 -11.068 -24.370 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.181 -24.070 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.156 -26.224 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.036 -24.673 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.699 -24.134 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.250 -27.562 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.212 -27.322 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.126 -26.381 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.318 -25.313 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.471 -26.216 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.782 -26.762 1.756 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.560 -25.119 -3.818 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.156 -25.645 -5.108 1.00 0.00 C ATOM 1157 C GLY A 80 -7.865 -24.952 -6.264 1.00 0.00 C ATOM 1158 O GLY A 80 -8.464 -25.608 -7.115 1.00 0.00 O ATOM 0 H GLY A 80 -6.802 -24.676 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.078 -25.529 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.367 -26.714 -5.144 1.00 0.00 H new ATOM 1162 N SER A 81 -7.837 -23.623 -6.299 1.00 0.00 N ATOM 1163 CA SER A 81 -8.172 -22.856 -7.490 1.00 0.00 C ATOM 1164 C SER A 81 -7.371 -21.564 -7.459 1.00 0.00 C ATOM 1165 O SER A 81 -7.064 -21.043 -6.388 1.00 0.00 O ATOM 1166 CB SER A 81 -9.673 -22.544 -7.525 1.00 0.00 C ATOM 1167 OG SER A 81 -10.426 -23.740 -7.470 1.00 0.00 O ATOM 0 H SER A 81 -7.580 -23.047 -5.497 1.00 0.00 H new ATOM 0 HA SER A 81 -7.929 -23.432 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.937 -21.901 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.916 -21.995 -8.435 1.00 0.00 H new ATOM 0 HG SER A 81 -9.819 -24.510 -7.488 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.080 -21.041 -8.653 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.518 -19.728 -8.864 1.00 0.00 C ATOM 1175 C GLU A 82 -7.484 -18.672 -8.340 1.00 0.00 C ATOM 1176 O GLU A 82 -8.495 -18.328 -8.966 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.249 -19.494 -10.350 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.900 -20.038 -10.839 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.763 -21.552 -10.969 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.745 -22.308 -10.814 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.626 -21.991 -11.259 1.00 0.00 O ATOM 0 H GLU A 82 -7.240 -21.548 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.573 -19.657 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.047 -19.958 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.291 -18.424 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.690 -19.595 -11.813 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.127 -19.686 -10.156 1.00 0.00 H new ATOM 1188 N THR A 83 -7.147 -18.168 -7.176 1.00 0.00 N ATOM 1189 CA THR A 83 -7.618 -16.910 -6.630 1.00 0.00 C ATOM 1190 C THR A 83 -6.726 -15.823 -7.245 1.00 0.00 C ATOM 1191 O THR A 83 -5.534 -16.061 -7.461 1.00 0.00 O ATOM 1192 CB THR A 83 -7.470 -16.974 -5.105 1.00 0.00 C ATOM 1193 OG1 THR A 83 -7.959 -18.205 -4.595 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.187 -15.832 -4.389 1.00 0.00 C ATOM 0 H THR A 83 -6.502 -18.648 -6.548 1.00 0.00 H new ATOM 0 HA THR A 83 -8.663 -16.700 -6.856 1.00 0.00 H new ATOM 0 HB THR A 83 -6.401 -16.883 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.541 -18.389 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.046 -15.932 -3.313 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.776 -14.879 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.252 -15.869 -4.620 1.00 0.00 H new ATOM 1202 N SER A 84 -7.266 -14.637 -7.504 1.00 0.00 N ATOM 1203 CA SER A 84 -6.564 -13.528 -8.127 1.00 0.00 C ATOM 1204 C SER A 84 -6.597 -12.361 -7.157 1.00 0.00 C ATOM 1205 O SER A 84 -7.650 -12.038 -6.602 1.00 0.00 O ATOM 1206 CB SER A 84 -7.242 -13.191 -9.456 1.00 0.00 C ATOM 1207 OG SER A 84 -6.909 -14.182 -10.409 1.00 0.00 O ATOM 0 H SER A 84 -8.236 -14.417 -7.278 1.00 0.00 H new ATOM 0 HA SER A 84 -5.525 -13.775 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.323 -13.143 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.919 -12.210 -9.805 1.00 0.00 H new ATOM 0 HG SER A 84 -7.342 -13.973 -11.263 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.442 -11.747 -6.922 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.274 -10.634 -6.005 1.00 0.00 C ATOM 1215 C LEU A 85 -4.590 -9.520 -6.776 1.00 0.00 C ATOM 1216 O LEU A 85 -3.752 -9.764 -7.648 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.414 -11.009 -4.780 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.161 -11.610 -3.579 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.715 -13.012 -3.849 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.230 -11.691 -2.360 1.00 0.00 C ATOM 0 H LEU A 85 -4.573 -12.021 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.251 -10.332 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.654 -11.722 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.890 -10.114 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.003 -10.945 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.230 -13.377 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.415 -12.972 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.895 -13.686 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.772 -12.118 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.373 -12.321 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.884 -10.691 -2.100 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.883 -8.289 -6.387 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.320 -7.080 -6.967 1.00 0.00 C ATOM 1234 C ILE A 86 -3.667 -6.335 -5.811 1.00 0.00 C ATOM 1235 O ILE A 86 -4.331 -6.137 -4.782 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.437 -6.293 -7.675 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.128 -7.209 -8.718 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.899 -5.022 -8.324 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.888 -6.526 -9.857 1.00 0.00 C ATOM 0 H ILE A 86 -5.542 -8.098 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.568 -7.266 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.172 -5.981 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.367 -7.853 -9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.826 -7.857 -8.188 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.714 -4.491 -8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.457 -4.382 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.140 -5.283 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.321 -7.283 -10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.684 -5.906 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.202 -5.902 -10.429 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.386 -5.984 -5.936 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.616 -5.354 -4.867 1.00 0.00 C ATOM 1253 C ILE A 87 -1.049 -4.012 -5.325 1.00 0.00 C ATOM 1254 O ILE A 87 -0.855 -3.756 -6.518 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.569 -6.319 -4.239 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.603 -6.702 -5.167 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.269 -7.576 -3.704 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.742 -5.676 -5.120 1.00 0.00 C ATOM 0 H ILE A 87 -1.850 -6.131 -6.791 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.293 -5.128 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.109 -5.763 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.987 -7.681 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.239 -6.791 -6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.529 -8.246 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.996 -7.292 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.780 -8.084 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.543 -5.990 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.367 -4.702 -5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.127 -5.606 -4.103 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.804 -3.129 -4.359 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.454 -1.742 -4.623 1.00 0.00 C ATOM 1272 C HIS A 88 1.066 -1.607 -4.712 1.00 0.00 C ATOM 1273 O HIS A 88 1.728 -1.226 -3.740 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.118 -0.834 -3.571 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.532 0.522 -4.083 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.671 1.203 -3.707 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -0.849 1.312 -4.971 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.679 2.375 -4.359 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -1.577 2.497 -5.118 1.00 0.00 N ATOM 0 H HIS A 88 -0.844 -3.361 -3.366 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.840 -1.412 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.997 -1.342 -3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.427 -0.698 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.079 1.065 -5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.461 3.116 -4.284 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.320 3.300 -5.692 1.00 0.00 H new ATOM 1287 N ARG A 89 1.639 -1.958 -5.865 1.00 0.00 N ATOM 1288 CA ARG A 89 3.049 -1.702 -6.162 1.00 0.00 C ATOM 1289 C ARG A 89 3.195 -0.265 -6.690 1.00 0.00 C ATOM 1290 O ARG A 89 2.393 0.588 -6.302 1.00 0.00 O ATOM 1291 CB ARG A 89 3.597 -2.829 -7.063 1.00 0.00 C ATOM 1292 CG ARG A 89 5.030 -3.288 -6.742 1.00 0.00 C ATOM 1293 CD ARG A 89 5.229 -3.882 -5.335 1.00 0.00 C ATOM 1294 NE ARG A 89 5.580 -2.839 -4.361 1.00 0.00 N ATOM 1295 CZ ARG A 89 5.483 -2.875 -3.031 1.00 0.00 C ATOM 1296 NH1 ARG A 89 5.096 -3.963 -2.370 1.00 0.00 N ATOM 1297 NH2 ARG A 89 5.779 -1.770 -2.360 1.00 0.00 N ATOM 0 H ARG A 89 1.138 -2.428 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 89 3.679 -1.738 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.932 -3.689 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.564 -2.492 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.329 -4.033 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.701 -2.437 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.316 -4.386 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.016 -4.636 -5.364 1.00 0.00 H new ATOM 0 HE ARG A 89 5.947 -1.972 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.860 -4.813 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.036 -3.947 -1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.069 -0.931 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.716 -1.759 -1.342 1.00 0.00 H new ATOM 1311 N GLY A 90 4.235 0.052 -7.466 1.00 0.00 N ATOM 1312 CA GLY A 90 4.404 1.378 -8.066 1.00 0.00 C ATOM 1313 C GLY A 90 5.813 1.958 -7.951 1.00 0.00 C ATOM 1314 O GLY A 90 6.071 3.020 -8.528 1.00 0.00 O ATOM 0 H GLY A 90 4.983 -0.603 -7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.135 1.321 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.703 2.067 -7.595 1.00 0.00 H new ATOM 1318 N SER A 91 6.731 1.302 -7.228 1.00 0.00 N ATOM 1319 CA SER A 91 8.086 1.805 -7.006 1.00 0.00 C ATOM 1320 C SER A 91 9.121 0.875 -7.642 1.00 0.00 C ATOM 1321 O SER A 91 9.810 1.290 -8.574 1.00 0.00 O ATOM 1322 CB SER A 91 8.346 2.055 -5.513 1.00 0.00 C ATOM 1323 OG SER A 91 7.258 2.738 -4.916 1.00 0.00 O ATOM 0 H SER A 91 6.550 0.404 -6.780 1.00 0.00 H new ATOM 0 HA SER A 91 8.185 2.771 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.507 1.105 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.258 2.640 -5.392 1.00 0.00 H new ATOM 0 HG SER A 91 7.446 2.884 -3.965 1.00 0.00 H new ATOM 1329 N GLY A 92 9.254 -0.363 -7.164 1.00 0.00 N ATOM 1330 CA GLY A 92 10.288 -1.280 -7.627 1.00 0.00 C ATOM 1331 C GLY A 92 10.882 -2.085 -6.476 1.00 0.00 C ATOM 1332 O GLY A 92 10.226 -2.243 -5.447 1.00 0.00 O ATOM 0 H GLY A 92 8.646 -0.755 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.867 -1.960 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.078 -0.717 -8.124 1.00 0.00 H new ATOM 1336 N PRO A 93 12.083 -2.657 -6.641 1.00 0.00 N ATOM 1337 CA PRO A 93 12.679 -3.491 -5.611 1.00 0.00 C ATOM 1338 C PRO A 93 13.100 -2.660 -4.391 1.00 0.00 C ATOM 1339 O PRO A 93 13.239 -1.436 -4.476 1.00 0.00 O ATOM 1340 CB PRO A 93 13.880 -4.154 -6.295 1.00 0.00 C ATOM 1341 CG PRO A 93 14.308 -3.118 -7.331 1.00 0.00 C ATOM 1342 CD PRO A 93 12.974 -2.522 -7.783 1.00 0.00 C ATOM 0 HA PRO A 93 11.978 -4.230 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.680 -4.368 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 93 13.606 -5.100 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.964 -2.362 -6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.849 -3.574 -8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 93 13.088 -1.477 -8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.582 -3.051 -8.652 1.00 0.00 H new ATOM 1350 N SER A 94 13.404 -3.354 -3.291 1.00 0.00 N ATOM 1351 CA SER A 94 14.103 -2.847 -2.109 1.00 0.00 C ATOM 1352 C SER A 94 13.547 -1.499 -1.620 1.00 0.00 C ATOM 1353 O SER A 94 14.252 -0.483 -1.596 1.00 0.00 O ATOM 1354 CB SER A 94 15.637 -2.880 -2.324 1.00 0.00 C ATOM 1355 OG SER A 94 16.058 -2.758 -3.678 1.00 0.00 O ATOM 0 H SER A 94 13.155 -4.339 -3.197 1.00 0.00 H new ATOM 0 HA SER A 94 13.903 -3.521 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.087 -2.073 -1.745 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.025 -3.816 -1.922 1.00 0.00 H new ATOM 0 HG SER A 94 17.037 -2.787 -3.720 1.00 0.00 H new ATOM 1361 N SER A 95 12.257 -1.474 -1.271 1.00 0.00 N ATOM 1362 CA SER A 95 11.567 -0.271 -0.814 1.00 0.00 C ATOM 1363 C SER A 95 11.666 -0.083 0.715 1.00 0.00 C ATOM 1364 O SER A 95 11.749 1.050 1.196 1.00 0.00 O ATOM 1365 CB SER A 95 10.114 -0.326 -1.299 1.00 0.00 C ATOM 1366 OG SER A 95 10.030 -0.669 -2.677 1.00 0.00 O ATOM 0 H SER A 95 11.659 -2.300 -1.299 1.00 0.00 H new ATOM 0 HA SER A 95 12.055 0.605 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.561 -1.056 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.639 0.642 -1.136 1.00 0.00 H new ATOM 0 HG SER A 95 9.089 -0.696 -2.951 1.00 0.00 H new ATOM 1372 N GLY A 96 11.739 -1.180 1.474 1.00 0.00 N ATOM 1373 CA GLY A 96 11.876 -1.212 2.928 1.00 0.00 C ATOM 1374 C GLY A 96 10.514 -1.260 3.575 1.00 0.00 C ATOM 1375 O GLY A 96 10.085 -0.227 4.145 1.00 0.00 O ATOM 0 H GLY A 96 11.702 -2.115 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.460 -2.082 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.419 -0.331 3.270 1.00 0.00 H new TER 1379 GLY A 96