USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 140:sc= 0.26 USER MOD Set 1.2: A 48 ASN : amide:sc= -7.97! C(o=-7.7!,f=-7.4!) USER MOD Set 2.1: A 12 GLN : amide:sc= 0 X(o=-0.24,f=-0.24) USER MOD Set 2.2: A 15 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 0.222 USER MOD Single : A 3 SER OG : rot -14:sc= 0.84 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= -1.28 (180deg=-3.89!) USER MOD Single : A 26 HIS : no HD1:sc= -5.39! K(o=-5.4!,f=-3.3) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -106:sc= -4.18! (180deg=-8.14!) USER MOD Single : A 41 CYS SG : rot 38:sc= 0.231 USER MOD Single : A 45 THR OG1 : rot -130:sc= -0.242 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.758 12.999 -4.355 1.00 0.00 N ATOM 2 CA GLY A 1 -14.066 11.734 -4.533 1.00 0.00 C ATOM 3 C GLY A 1 -13.486 11.236 -3.208 1.00 0.00 C ATOM 4 O GLY A 1 -13.893 10.192 -2.701 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.142 13.316 -5.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.536 12.877 -3.676 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.092 13.711 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.756 10.991 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.265 11.853 -5.263 1.00 0.00 H new ATOM 8 N SER A 2 -12.544 12.006 -2.684 1.00 0.00 N ATOM 9 CA SER A 2 -11.903 11.656 -1.429 1.00 0.00 C ATOM 10 C SER A 2 -10.974 12.786 -0.982 1.00 0.00 C ATOM 11 O SER A 2 -10.677 13.694 -1.758 1.00 0.00 O ATOM 12 CB SER A 2 -11.122 10.346 -1.555 1.00 0.00 C ATOM 13 OG SER A 2 -11.782 9.266 -0.900 1.00 0.00 O ATOM 0 H SER A 2 -12.209 12.872 -3.107 1.00 0.00 H new ATOM 0 HA SER A 2 -12.680 11.514 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.989 10.103 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.127 10.475 -1.129 1.00 0.00 H new ATOM 0 HG SER A 2 -12.695 9.182 -1.246 1.00 0.00 H new ATOM 18 N SER A 3 -10.539 12.694 0.266 1.00 0.00 N ATOM 19 CA SER A 3 -9.651 13.698 0.826 1.00 0.00 C ATOM 20 C SER A 3 -8.912 13.127 2.038 1.00 0.00 C ATOM 21 O SER A 3 -9.331 12.119 2.606 1.00 0.00 O ATOM 22 CB SER A 3 -10.422 14.960 1.220 1.00 0.00 C ATOM 23 OG SER A 3 -11.068 15.562 0.102 1.00 0.00 O ATOM 0 H SER A 3 -10.785 11.939 0.906 1.00 0.00 H new ATOM 0 HA SER A 3 -8.924 13.974 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.166 14.709 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.737 15.677 1.672 1.00 0.00 H new ATOM 0 HG SER A 3 -10.705 15.186 -0.727 1.00 0.00 H new ATOM 28 N GLY A 4 -7.826 13.794 2.398 1.00 0.00 N ATOM 29 CA GLY A 4 -7.025 13.366 3.533 1.00 0.00 C ATOM 30 C GLY A 4 -6.279 14.547 4.155 1.00 0.00 C ATOM 31 O GLY A 4 -5.141 14.833 3.783 1.00 0.00 O ATOM 0 H GLY A 4 -7.481 14.629 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.667 12.902 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.310 12.608 3.213 1.00 0.00 H new ATOM 35 N SER A 5 -6.948 15.203 5.091 1.00 0.00 N ATOM 36 CA SER A 5 -6.363 16.346 5.769 1.00 0.00 C ATOM 37 C SER A 5 -4.912 16.044 6.146 1.00 0.00 C ATOM 38 O SER A 5 -4.085 16.952 6.228 1.00 0.00 O ATOM 39 CB SER A 5 -7.168 16.721 7.015 1.00 0.00 C ATOM 40 OG SER A 5 -7.839 15.595 7.575 1.00 0.00 O ATOM 0 H SER A 5 -7.891 14.964 5.396 1.00 0.00 H new ATOM 0 HA SER A 5 -6.386 17.196 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.501 17.154 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.899 17.488 6.758 1.00 0.00 H new ATOM 0 HG SER A 5 -8.340 15.875 8.369 1.00 0.00 H new ATOM 45 N SER A 6 -4.645 14.765 6.367 1.00 0.00 N ATOM 46 CA SER A 6 -3.307 14.332 6.733 1.00 0.00 C ATOM 47 C SER A 6 -2.369 14.456 5.532 1.00 0.00 C ATOM 48 O SER A 6 -2.584 13.817 4.503 1.00 0.00 O ATOM 49 CB SER A 6 -3.317 12.893 7.253 1.00 0.00 C ATOM 50 OG SER A 6 -2.036 12.486 7.723 1.00 0.00 O ATOM 0 H SER A 6 -5.333 14.015 6.300 1.00 0.00 H new ATOM 0 HA SER A 6 -2.947 14.977 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.044 12.804 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.641 12.222 6.457 1.00 0.00 H new ATOM 0 HG SER A 6 -2.085 11.563 8.048 1.00 0.00 H new ATOM 55 N GLY A 7 -1.348 15.283 5.701 1.00 0.00 N ATOM 56 CA GLY A 7 -0.376 15.499 4.643 1.00 0.00 C ATOM 57 C GLY A 7 0.978 14.889 5.010 1.00 0.00 C ATOM 58 O GLY A 7 1.529 15.182 6.070 1.00 0.00 O ATOM 0 H GLY A 7 -1.173 15.812 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.739 15.057 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.261 16.568 4.463 1.00 0.00 H new ATOM 62 N SER A 8 1.476 14.051 4.113 1.00 0.00 N ATOM 63 CA SER A 8 2.756 13.397 4.329 1.00 0.00 C ATOM 64 C SER A 8 3.553 13.363 3.023 1.00 0.00 C ATOM 65 O SER A 8 2.974 13.332 1.938 1.00 0.00 O ATOM 66 CB SER A 8 2.565 11.979 4.872 1.00 0.00 C ATOM 67 OG SER A 8 1.516 11.287 4.200 1.00 0.00 O ATOM 0 H SER A 8 1.016 13.810 3.235 1.00 0.00 H new ATOM 0 HA SER A 8 3.312 13.969 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.495 11.421 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.344 12.026 5.938 1.00 0.00 H new ATOM 0 HG SER A 8 1.427 10.386 4.574 1.00 0.00 H new ATOM 72 N PRO A 9 4.905 13.369 3.174 1.00 0.00 N ATOM 73 CA PRO A 9 5.787 13.339 2.020 1.00 0.00 C ATOM 74 C PRO A 9 5.829 11.942 1.399 1.00 0.00 C ATOM 75 O PRO A 9 5.449 10.963 2.038 1.00 0.00 O ATOM 76 CB PRO A 9 7.138 13.796 2.546 1.00 0.00 C ATOM 77 CG PRO A 9 7.080 13.619 4.054 1.00 0.00 C ATOM 78 CD PRO A 9 5.626 13.406 4.442 1.00 0.00 C ATOM 0 HA PRO A 9 5.448 13.989 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.945 13.205 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.328 14.836 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.686 12.767 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.485 14.497 4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.497 12.478 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.264 14.213 5.080 1.00 0.00 H new ATOM 83 N ASP A 10 6.294 11.894 0.159 1.00 0.00 N ATOM 84 CA ASP A 10 6.390 10.633 -0.556 1.00 0.00 C ATOM 85 C ASP A 10 5.018 9.957 -0.578 1.00 0.00 C ATOM 86 O ASP A 10 4.566 9.431 0.439 1.00 0.00 O ATOM 87 CB ASP A 10 7.375 9.683 0.131 1.00 0.00 C ATOM 88 CG ASP A 10 8.217 10.317 1.240 1.00 0.00 C ATOM 89 OD1 ASP A 10 9.295 10.850 0.899 1.00 0.00 O ATOM 90 OD2 ASP A 10 7.763 10.255 2.402 1.00 0.00 O ATOM 0 H ASP A 10 6.608 12.708 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 10 6.739 10.845 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.817 8.847 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.045 9.271 -0.623 1.00 0.00 H new ATOM 94 N VAL A 11 4.394 9.994 -1.745 1.00 0.00 N ATOM 95 CA VAL A 11 3.082 9.391 -1.912 1.00 0.00 C ATOM 96 C VAL A 11 3.058 8.583 -3.210 1.00 0.00 C ATOM 97 O VAL A 11 2.028 8.505 -3.879 1.00 0.00 O ATOM 98 CB VAL A 11 2.000 10.472 -1.861 1.00 0.00 C ATOM 99 CG1 VAL A 11 0.609 9.849 -1.710 1.00 0.00 C ATOM 100 CG2 VAL A 11 2.276 11.472 -0.736 1.00 0.00 C ATOM 0 H VAL A 11 4.772 10.432 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 11 2.872 8.700 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 11 2.025 11.015 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.142 10.639 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.409 9.195 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.568 9.270 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.492 12.229 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.292 10.949 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.241 11.951 -0.904 1.00 0.00 H new ATOM 110 N GLN A 12 4.205 8.000 -3.528 1.00 0.00 N ATOM 111 CA GLN A 12 4.328 7.200 -4.734 1.00 0.00 C ATOM 112 C GLN A 12 3.932 5.749 -4.451 1.00 0.00 C ATOM 113 O GLN A 12 4.023 5.287 -3.315 1.00 0.00 O ATOM 114 CB GLN A 12 5.746 7.280 -5.302 1.00 0.00 C ATOM 115 CG GLN A 12 6.744 6.561 -4.392 1.00 0.00 C ATOM 116 CD GLN A 12 8.163 7.090 -4.608 1.00 0.00 C ATOM 117 OE1 GLN A 12 8.743 7.749 -3.762 1.00 0.00 O ATOM 118 NE2 GLN A 12 8.688 6.765 -5.786 1.00 0.00 N ATOM 0 H GLN A 12 5.057 8.066 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 12 3.648 7.602 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.769 6.834 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.038 8.324 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.456 6.698 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.717 5.490 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.148 6.210 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.631 7.071 -6.026 1.00 0.00 H new ATOM 125 N LEU A 13 3.501 5.071 -5.505 1.00 0.00 N ATOM 126 CA LEU A 13 3.090 3.682 -5.384 1.00 0.00 C ATOM 127 C LEU A 13 4.069 2.943 -4.470 1.00 0.00 C ATOM 128 O LEU A 13 3.666 2.353 -3.470 1.00 0.00 O ATOM 129 CB LEU A 13 2.940 3.046 -6.768 1.00 0.00 C ATOM 130 CG LEU A 13 1.639 2.278 -7.016 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.356 2.149 -8.513 1.00 0.00 C ATOM 132 CD2 LEU A 13 1.664 0.918 -6.317 1.00 0.00 C ATOM 0 H LEU A 13 3.427 5.457 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 13 2.107 3.614 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.023 3.832 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.776 2.365 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 13 0.817 2.847 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.426 1.599 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.265 3.142 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.175 1.613 -8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.728 0.393 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.497 0.328 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.785 1.063 -5.243 1.00 0.00 H new ATOM 143 N ALA A 14 5.338 3.000 -4.847 1.00 0.00 N ATOM 144 CA ALA A 14 6.379 2.343 -4.075 1.00 0.00 C ATOM 145 C ALA A 14 6.141 2.600 -2.585 1.00 0.00 C ATOM 146 O ALA A 14 5.882 1.668 -1.824 1.00 0.00 O ATOM 147 CB ALA A 14 7.751 2.837 -4.540 1.00 0.00 C ATOM 0 H ALA A 14 5.669 3.491 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 14 6.351 1.265 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.531 2.344 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.882 2.605 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.818 3.915 -4.395 1.00 0.00 H new ATOM 153 N THR A 15 6.237 3.868 -2.214 1.00 0.00 N ATOM 154 CA THR A 15 6.035 4.259 -0.829 1.00 0.00 C ATOM 155 C THR A 15 4.832 3.524 -0.237 1.00 0.00 C ATOM 156 O THR A 15 4.912 2.981 0.864 1.00 0.00 O ATOM 157 CB THR A 15 5.899 5.782 -0.783 1.00 0.00 C ATOM 158 OG1 THR A 15 7.202 6.258 -1.108 1.00 0.00 O ATOM 159 CG2 THR A 15 5.653 6.306 0.633 1.00 0.00 C ATOM 0 H THR A 15 6.452 4.638 -2.848 1.00 0.00 H new ATOM 0 HA THR A 15 6.886 3.975 -0.210 1.00 0.00 H new ATOM 0 HB THR A 15 5.080 6.092 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.203 7.238 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.564 7.392 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.732 5.875 1.025 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.488 6.025 1.275 1.00 0.00 H new ATOM 167 N LEU A 16 3.744 3.528 -0.994 1.00 0.00 N ATOM 168 CA LEU A 16 2.526 2.867 -0.557 1.00 0.00 C ATOM 169 C LEU A 16 2.813 1.385 -0.316 1.00 0.00 C ATOM 170 O LEU A 16 2.690 0.900 0.808 1.00 0.00 O ATOM 171 CB LEU A 16 1.393 3.120 -1.554 1.00 0.00 C ATOM 172 CG LEU A 16 1.087 4.587 -1.865 1.00 0.00 C ATOM 173 CD1 LEU A 16 0.011 4.705 -2.945 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.711 5.349 -0.593 1.00 0.00 C ATOM 0 H LEU A 16 3.681 3.978 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 16 2.185 3.284 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.638 2.615 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.486 2.654 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 16 1.991 5.049 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.188 5.757 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.357 4.219 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.904 4.223 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.498 6.389 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.173 4.895 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.539 5.307 0.115 1.00 0.00 H new ATOM 185 N ALA A 17 3.191 0.706 -1.389 1.00 0.00 N ATOM 186 CA ALA A 17 3.497 -0.712 -1.307 1.00 0.00 C ATOM 187 C ALA A 17 4.256 -0.993 -0.009 1.00 0.00 C ATOM 188 O ALA A 17 4.057 -2.031 0.619 1.00 0.00 O ATOM 189 CB ALA A 17 4.287 -1.136 -2.547 1.00 0.00 C ATOM 0 H ALA A 17 3.292 1.111 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 17 2.580 -1.301 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.517 -2.200 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.693 -0.944 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.215 -0.567 -2.599 1.00 0.00 H new ATOM 195 N GLN A 18 5.111 -0.048 0.354 1.00 0.00 N ATOM 196 CA GLN A 18 5.902 -0.180 1.567 1.00 0.00 C ATOM 197 C GLN A 18 4.986 -0.267 2.789 1.00 0.00 C ATOM 198 O GLN A 18 5.069 -1.219 3.565 1.00 0.00 O ATOM 199 CB GLN A 18 6.891 0.979 1.705 1.00 0.00 C ATOM 200 CG GLN A 18 8.335 0.479 1.613 1.00 0.00 C ATOM 201 CD GLN A 18 9.237 1.230 2.594 1.00 0.00 C ATOM 202 OE1 GLN A 18 9.793 0.665 3.522 1.00 0.00 O ATOM 203 NE2 GLN A 18 9.354 2.529 2.338 1.00 0.00 N ATOM 0 H GLN A 18 5.274 0.812 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 18 6.480 -1.102 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.706 1.715 0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.736 1.483 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.368 -0.589 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.706 0.612 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.861 2.939 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.937 3.116 2.935 1.00 0.00 H new ATOM 210 N ARG A 19 4.135 0.739 2.925 1.00 0.00 N ATOM 211 CA ARG A 19 3.205 0.787 4.041 1.00 0.00 C ATOM 212 C ARG A 19 2.286 -0.436 4.019 1.00 0.00 C ATOM 213 O ARG A 19 2.358 -1.287 4.906 1.00 0.00 O ATOM 214 CB ARG A 19 2.353 2.057 3.993 1.00 0.00 C ATOM 215 CG ARG A 19 3.171 3.280 4.411 1.00 0.00 C ATOM 216 CD ARG A 19 2.427 4.102 5.466 1.00 0.00 C ATOM 217 NE ARG A 19 2.959 5.483 5.500 1.00 0.00 N ATOM 218 CZ ARG A 19 2.320 6.521 6.060 1.00 0.00 C ATOM 219 NH1 ARG A 19 1.124 6.339 6.634 1.00 0.00 N ATOM 220 NH2 ARG A 19 2.879 7.738 6.043 1.00 0.00 N ATOM 0 H ARG A 19 4.070 1.527 2.281 1.00 0.00 H new ATOM 0 HA ARG A 19 3.790 0.790 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.965 2.201 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.492 1.947 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.135 2.960 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.376 3.901 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.361 4.120 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.537 3.637 6.446 1.00 0.00 H new ATOM 0 HE ARG A 19 3.868 5.656 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.700 5.412 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.637 7.128 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.790 7.875 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.394 8.528 6.469 1.00 0.00 H new ATOM 231 N VAL A 20 1.443 -0.486 2.998 1.00 0.00 N ATOM 232 CA VAL A 20 0.511 -1.591 2.850 1.00 0.00 C ATOM 233 C VAL A 20 1.228 -2.904 3.169 1.00 0.00 C ATOM 234 O VAL A 20 0.678 -3.766 3.852 1.00 0.00 O ATOM 235 CB VAL A 20 -0.105 -1.571 1.450 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.379 -0.724 1.424 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.905 -1.074 0.413 1.00 0.00 C ATOM 0 H VAL A 20 1.386 0.221 2.265 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.314 -1.492 3.555 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.377 -2.594 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.797 -0.726 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.107 -1.140 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.142 0.299 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.441 -1.070 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.222 -0.063 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.772 -1.735 0.404 1.00 0.00 H new ATOM 247 N LYS A 21 2.446 -3.015 2.659 1.00 0.00 N ATOM 248 CA LYS A 21 3.244 -4.209 2.880 1.00 0.00 C ATOM 249 C LYS A 21 3.673 -4.265 4.348 1.00 0.00 C ATOM 250 O LYS A 21 3.647 -5.328 4.966 1.00 0.00 O ATOM 251 CB LYS A 21 4.414 -4.261 1.896 1.00 0.00 C ATOM 252 CG LYS A 21 5.237 -5.537 2.090 1.00 0.00 C ATOM 253 CD LYS A 21 4.659 -6.691 1.269 1.00 0.00 C ATOM 254 CE LYS A 21 5.656 -7.850 1.175 1.00 0.00 C ATOM 255 NZ LYS A 21 5.384 -8.671 -0.026 1.00 0.00 N ATOM 0 H LYS A 21 2.900 -2.298 2.093 1.00 0.00 H new ATOM 0 HA LYS A 21 2.653 -5.104 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.037 -4.219 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.051 -3.388 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.270 -5.356 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.251 -5.808 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.733 -7.039 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.408 -6.340 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.673 -7.460 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.588 -8.469 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.336 -9.674 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.478 -8.382 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.147 -8.535 -0.720 1.00 0.00 H new ATOM 265 N GLU A 22 4.057 -3.106 4.864 1.00 0.00 N ATOM 266 CA GLU A 22 4.491 -3.010 6.248 1.00 0.00 C ATOM 267 C GLU A 22 3.365 -3.443 7.188 1.00 0.00 C ATOM 268 O GLU A 22 3.620 -3.875 8.311 1.00 0.00 O ATOM 269 CB GLU A 22 4.965 -1.593 6.576 1.00 0.00 C ATOM 270 CG GLU A 22 4.799 -1.292 8.067 1.00 0.00 C ATOM 271 CD GLU A 22 5.617 -0.063 8.472 1.00 0.00 C ATOM 272 OE1 GLU A 22 5.209 1.048 8.073 1.00 0.00 O ATOM 273 OE2 GLU A 22 6.633 -0.264 9.173 1.00 0.00 O ATOM 0 H GLU A 22 4.077 -2.226 4.349 1.00 0.00 H new ATOM 0 HA GLU A 22 5.336 -3.683 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.012 -1.481 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.397 -0.871 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.746 -1.123 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.116 -2.154 8.653 1.00 0.00 H new ATOM 278 N VAL A 23 2.141 -3.313 6.695 1.00 0.00 N ATOM 279 CA VAL A 23 0.975 -3.686 7.477 1.00 0.00 C ATOM 280 C VAL A 23 0.581 -5.126 7.143 1.00 0.00 C ATOM 281 O VAL A 23 0.166 -5.880 8.022 1.00 0.00 O ATOM 282 CB VAL A 23 -0.157 -2.686 7.237 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.402 -3.063 8.043 1.00 0.00 C ATOM 284 CG2 VAL A 23 0.293 -1.260 7.559 1.00 0.00 C ATOM 0 H VAL A 23 1.932 -2.954 5.763 1.00 0.00 H new ATOM 0 HA VAL A 23 1.202 -3.650 8.542 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.418 -2.724 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.192 -2.336 7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.743 -4.054 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.160 -3.068 9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.531 -0.569 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.595 -1.201 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.136 -0.992 6.922 1.00 0.00 H new ATOM 294 N LEU A 24 0.726 -5.465 5.870 1.00 0.00 N ATOM 295 CA LEU A 24 0.392 -6.802 5.410 1.00 0.00 C ATOM 296 C LEU A 24 1.552 -7.358 4.582 1.00 0.00 C ATOM 297 O LEU A 24 1.606 -7.157 3.369 1.00 0.00 O ATOM 298 CB LEU A 24 -0.946 -6.793 4.666 1.00 0.00 C ATOM 299 CG LEU A 24 -2.049 -5.929 5.280 1.00 0.00 C ATOM 300 CD1 LEU A 24 -3.129 -5.602 4.246 1.00 0.00 C ATOM 301 CD2 LEU A 24 -2.634 -6.592 6.528 1.00 0.00 C ATOM 0 H LEU A 24 1.070 -4.837 5.143 1.00 0.00 H new ATOM 0 HA LEU A 24 0.256 -7.473 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.770 -6.451 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.309 -7.819 4.600 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.607 -4.984 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.901 -4.987 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.683 -5.059 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.574 -6.527 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.416 -5.957 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.057 -7.561 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.847 -6.732 7.269 1.00 0.00 H new ATOM 312 N PRO A 25 2.475 -8.063 5.288 1.00 0.00 N ATOM 313 CA PRO A 25 3.632 -8.650 4.632 1.00 0.00 C ATOM 314 C PRO A 25 3.238 -9.895 3.836 1.00 0.00 C ATOM 315 O PRO A 25 3.798 -10.161 2.774 1.00 0.00 O ATOM 316 CB PRO A 25 4.612 -8.947 5.754 1.00 0.00 C ATOM 317 CG PRO A 25 3.792 -8.948 7.034 1.00 0.00 C ATOM 318 CD PRO A 25 2.444 -8.321 6.725 1.00 0.00 C ATOM 0 HA PRO A 25 4.081 -7.984 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.100 -9.910 5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.399 -8.194 5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.664 -9.965 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.304 -8.386 7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.626 -8.991 6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.297 -7.400 7.289 1.00 0.00 H new ATOM 323 N HIS A 26 2.277 -10.627 4.380 1.00 0.00 N ATOM 324 CA HIS A 26 1.801 -11.838 3.734 1.00 0.00 C ATOM 325 C HIS A 26 1.489 -11.548 2.265 1.00 0.00 C ATOM 326 O HIS A 26 2.100 -12.132 1.371 1.00 0.00 O ATOM 327 CB HIS A 26 0.606 -12.423 4.490 1.00 0.00 C ATOM 328 CG HIS A 26 -0.517 -11.439 4.718 1.00 0.00 C ATOM 329 ND1 HIS A 26 -0.554 -10.583 5.805 1.00 0.00 N ATOM 330 CD2 HIS A 26 -1.641 -11.186 3.989 1.00 0.00 C ATOM 331 CE1 HIS A 26 -1.656 -9.852 5.722 1.00 0.00 C ATOM 332 NE2 HIS A 26 -2.329 -10.227 4.598 1.00 0.00 N ATOM 0 H HIS A 26 1.815 -10.404 5.262 1.00 0.00 H new ATOM 0 HA HIS A 26 2.581 -12.599 3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.220 -13.277 3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.948 -12.799 5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.924 -11.681 3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.967 -9.091 6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.215 -9.836 4.277 1.00 0.00 H new ATOM 339 N VAL A 27 0.541 -10.646 2.062 1.00 0.00 N ATOM 340 CA VAL A 27 0.141 -10.272 0.716 1.00 0.00 C ATOM 341 C VAL A 27 1.388 -9.964 -0.115 1.00 0.00 C ATOM 342 O VAL A 27 2.354 -9.400 0.395 1.00 0.00 O ATOM 343 CB VAL A 27 -0.846 -9.103 0.769 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.324 -7.986 1.675 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.146 -8.575 -0.635 1.00 0.00 C ATOM 0 H VAL A 27 0.038 -10.163 2.806 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.379 -11.097 0.229 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.779 -9.471 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.044 -7.168 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.185 -8.372 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.629 -7.622 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.850 -7.745 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.222 -8.231 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.581 -9.372 -1.238 1.00 0.00 H new ATOM 355 N PRO A 28 1.325 -10.359 -1.415 1.00 0.00 N ATOM 356 CA PRO A 28 2.437 -10.131 -2.321 1.00 0.00 C ATOM 357 C PRO A 28 2.514 -8.660 -2.736 1.00 0.00 C ATOM 358 O PRO A 28 1.544 -7.919 -2.589 1.00 0.00 O ATOM 359 CB PRO A 28 2.187 -11.066 -3.493 1.00 0.00 C ATOM 360 CG PRO A 28 0.716 -11.440 -3.423 1.00 0.00 C ATOM 361 CD PRO A 28 0.196 -11.030 -2.054 1.00 0.00 C ATOM 0 HA PRO A 28 3.403 -10.339 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.421 -10.577 -4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.819 -11.952 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.156 -10.936 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.587 -12.512 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.663 -10.365 -2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.128 -11.897 -1.477 1.00 0.00 H new ATOM 366 N LEU A 29 3.678 -8.282 -3.245 1.00 0.00 N ATOM 367 CA LEU A 29 3.894 -6.914 -3.682 1.00 0.00 C ATOM 368 C LEU A 29 3.329 -6.737 -5.092 1.00 0.00 C ATOM 369 O LEU A 29 2.775 -5.688 -5.416 1.00 0.00 O ATOM 370 CB LEU A 29 5.374 -6.541 -3.562 1.00 0.00 C ATOM 371 CG LEU A 29 5.845 -6.106 -2.173 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.371 -6.163 -2.069 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.298 -4.722 -1.817 1.00 0.00 C ATOM 0 H LEU A 29 4.481 -8.900 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 29 3.359 -6.219 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.971 -7.398 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.583 -5.734 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 29 5.445 -6.808 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.680 -5.849 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.710 -7.183 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.811 -5.498 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.648 -4.437 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.648 -3.993 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.208 -4.749 -1.824 1.00 0.00 H new ATOM 384 N GLY A 30 3.486 -7.780 -5.893 1.00 0.00 N ATOM 385 CA GLY A 30 2.997 -7.754 -7.262 1.00 0.00 C ATOM 386 C GLY A 30 1.498 -7.453 -7.302 1.00 0.00 C ATOM 387 O GLY A 30 1.015 -6.810 -8.234 1.00 0.00 O ATOM 0 H GLY A 30 3.945 -8.649 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.539 -6.999 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.192 -8.714 -7.740 1.00 0.00 H new ATOM 391 N VAL A 31 0.802 -7.931 -6.281 1.00 0.00 N ATOM 392 CA VAL A 31 -0.633 -7.722 -6.188 1.00 0.00 C ATOM 393 C VAL A 31 -0.904 -6.375 -5.516 1.00 0.00 C ATOM 394 O VAL A 31 -1.753 -5.609 -5.971 1.00 0.00 O ATOM 395 CB VAL A 31 -1.287 -8.897 -5.459 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.322 -8.653 -3.949 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.691 -9.166 -6.003 1.00 0.00 C ATOM 0 H VAL A 31 1.206 -8.463 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.079 -7.685 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.681 -9.784 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.792 -9.503 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.305 -8.533 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.894 -7.749 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.134 -10.006 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.311 -8.280 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.630 -9.404 -7.065 1.00 0.00 H new ATOM 407 N ILE A 32 -0.167 -6.125 -4.444 1.00 0.00 N ATOM 408 CA ILE A 32 -0.317 -4.883 -3.705 1.00 0.00 C ATOM 409 C ILE A 32 -0.260 -3.704 -4.679 1.00 0.00 C ATOM 410 O ILE A 32 -1.203 -2.918 -4.764 1.00 0.00 O ATOM 411 CB ILE A 32 0.715 -4.800 -2.579 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.306 -5.679 -1.394 1.00 0.00 C ATOM 413 CG2 ILE A 32 0.955 -3.349 -2.160 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.522 -6.059 -0.549 1.00 0.00 C ATOM 0 H ILE A 32 0.536 -6.762 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.291 -4.847 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 32 1.662 -5.187 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.419 -5.149 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.185 -6.582 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.693 -3.319 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.323 -2.780 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.020 -2.912 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.204 -6.683 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.234 -6.610 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.996 -5.155 -0.166 1.00 0.00 H new ATOM 425 N GLN A 33 0.854 -3.619 -5.389 1.00 0.00 N ATOM 426 CA GLN A 33 1.046 -2.550 -6.354 1.00 0.00 C ATOM 427 C GLN A 33 -0.212 -2.371 -7.207 1.00 0.00 C ATOM 428 O GLN A 33 -0.857 -1.325 -7.155 1.00 0.00 O ATOM 429 CB GLN A 33 2.270 -2.817 -7.233 1.00 0.00 C ATOM 430 CG GLN A 33 3.541 -2.263 -6.586 1.00 0.00 C ATOM 431 CD GLN A 33 4.723 -2.328 -7.555 1.00 0.00 C ATOM 432 OE1 GLN A 33 5.062 -3.371 -8.093 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.331 -1.161 -7.748 1.00 0.00 N ATOM 0 H GLN A 33 1.633 -4.273 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 33 1.226 -1.624 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.378 -3.889 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.126 -2.359 -8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.376 -1.231 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.773 -2.832 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.997 -0.326 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.131 -1.101 -8.377 1.00 0.00 H new ATOM 440 N ARG A 34 -0.521 -3.407 -7.972 1.00 0.00 N ATOM 441 CA ARG A 34 -1.691 -3.378 -8.834 1.00 0.00 C ATOM 442 C ARG A 34 -2.940 -3.027 -8.022 1.00 0.00 C ATOM 443 O ARG A 34 -3.737 -2.187 -8.435 1.00 0.00 O ATOM 444 CB ARG A 34 -1.901 -4.727 -9.524 1.00 0.00 C ATOM 445 CG ARG A 34 -2.937 -4.616 -10.643 1.00 0.00 C ATOM 446 CD ARG A 34 -3.685 -5.937 -10.832 1.00 0.00 C ATOM 447 NE ARG A 34 -4.460 -5.904 -12.092 1.00 0.00 N ATOM 448 CZ ARG A 34 -5.135 -6.951 -12.586 1.00 0.00 C ATOM 449 NH1 ARG A 34 -5.135 -8.119 -11.929 1.00 0.00 N ATOM 450 NH2 ARG A 34 -5.811 -6.829 -13.737 1.00 0.00 N ATOM 0 H ARG A 34 0.018 -4.272 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.523 -2.616 -9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.955 -5.081 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.228 -5.466 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.647 -3.823 -10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.443 -4.337 -11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.977 -6.766 -10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.354 -6.110 -9.989 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.482 -5.030 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.621 -8.211 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.649 -8.916 -12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.811 -5.940 -14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.325 -7.626 -14.114 1.00 0.00 H new ATOM 461 N ASP A 35 -3.071 -3.690 -6.883 1.00 0.00 N ATOM 462 CA ASP A 35 -4.209 -3.460 -6.010 1.00 0.00 C ATOM 463 C ASP A 35 -4.292 -1.970 -5.669 1.00 0.00 C ATOM 464 O ASP A 35 -5.343 -1.351 -5.827 1.00 0.00 O ATOM 465 CB ASP A 35 -4.066 -4.237 -4.700 1.00 0.00 C ATOM 466 CG ASP A 35 -4.475 -5.709 -4.774 1.00 0.00 C ATOM 467 OD1 ASP A 35 -5.434 -5.996 -5.522 1.00 0.00 O ATOM 468 OD2 ASP A 35 -3.818 -6.516 -4.080 1.00 0.00 O ATOM 0 H ASP A 35 -2.408 -4.387 -6.544 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.106 -3.795 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.028 -4.180 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.669 -3.746 -3.936 1.00 0.00 H new ATOM 472 N LEU A 36 -3.169 -1.438 -5.208 1.00 0.00 N ATOM 473 CA LEU A 36 -3.101 -0.034 -4.844 1.00 0.00 C ATOM 474 C LEU A 36 -3.773 0.805 -5.933 1.00 0.00 C ATOM 475 O LEU A 36 -4.400 1.821 -5.641 1.00 0.00 O ATOM 476 CB LEU A 36 -1.656 0.376 -4.556 1.00 0.00 C ATOM 477 CG LEU A 36 -1.153 0.113 -3.135 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.364 0.291 -3.048 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.893 0.988 -2.122 1.00 0.00 C ATOM 0 H LEU A 36 -2.299 -1.955 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.649 0.146 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.004 -0.150 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.553 1.441 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.369 -0.925 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.695 0.098 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.852 -0.409 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.627 1.311 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.517 0.782 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.730 2.039 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.960 0.768 -2.162 1.00 0.00 H new ATOM 490 N ALA A 37 -3.618 0.347 -7.168 1.00 0.00 N ATOM 491 CA ALA A 37 -4.202 1.042 -8.302 1.00 0.00 C ATOM 492 C ALA A 37 -5.726 1.016 -8.180 1.00 0.00 C ATOM 493 O ALA A 37 -6.388 2.029 -8.406 1.00 0.00 O ATOM 494 CB ALA A 37 -3.709 0.401 -9.601 1.00 0.00 C ATOM 0 H ALA A 37 -3.097 -0.496 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.891 2.087 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.147 0.922 -10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.622 0.471 -9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.006 -0.647 -9.625 1.00 0.00 H new ATOM 500 N LYS A 38 -6.241 -0.152 -7.826 1.00 0.00 N ATOM 501 CA LYS A 38 -7.676 -0.323 -7.672 1.00 0.00 C ATOM 502 C LYS A 38 -8.256 0.899 -6.957 1.00 0.00 C ATOM 503 O LYS A 38 -9.327 1.385 -7.319 1.00 0.00 O ATOM 504 CB LYS A 38 -7.986 -1.649 -6.974 1.00 0.00 C ATOM 505 CG LYS A 38 -7.499 -2.835 -7.810 1.00 0.00 C ATOM 506 CD LYS A 38 -8.607 -3.345 -8.735 1.00 0.00 C ATOM 507 CE LYS A 38 -8.698 -2.491 -10.002 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.728 -1.440 -9.845 1.00 0.00 N ATOM 0 H LYS A 38 -5.690 -0.990 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.160 -0.382 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.508 -1.669 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.060 -1.734 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.634 -2.536 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.171 -3.639 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.412 -4.383 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.562 -3.326 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.731 -2.033 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.941 -3.122 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.567 -1.690 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.993 -1.360 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.349 -0.530 -10.176 1.00 0.00 H new ATOM 518 N THR A 39 -7.524 1.360 -5.953 1.00 0.00 N ATOM 519 CA THR A 39 -7.954 2.515 -5.183 1.00 0.00 C ATOM 520 C THR A 39 -6.882 3.607 -5.218 1.00 0.00 C ATOM 521 O THR A 39 -6.991 4.564 -5.982 1.00 0.00 O ATOM 522 CB THR A 39 -8.294 2.042 -3.768 1.00 0.00 C ATOM 523 OG1 THR A 39 -7.229 1.155 -3.434 1.00 0.00 O ATOM 524 CG2 THR A 39 -9.540 1.156 -3.731 1.00 0.00 C ATOM 0 H THR A 39 -6.637 0.955 -5.655 1.00 0.00 H new ATOM 0 HA THR A 39 -8.848 2.966 -5.613 1.00 0.00 H new ATOM 0 HB THR A 39 -8.444 2.907 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.970 1.292 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.737 0.848 -2.704 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.395 1.714 -4.113 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.377 0.274 -4.350 1.00 0.00 H new ATOM 532 N GLY A 40 -5.872 3.426 -4.380 1.00 0.00 N ATOM 533 CA GLY A 40 -4.781 4.384 -4.305 1.00 0.00 C ATOM 534 C GLY A 40 -4.713 5.029 -2.919 1.00 0.00 C ATOM 535 O GLY A 40 -4.395 6.210 -2.796 1.00 0.00 O ATOM 0 H GLY A 40 -5.786 2.631 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.837 3.884 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.917 5.155 -5.063 1.00 0.00 H new ATOM 539 N CYS A 41 -5.016 4.224 -1.911 1.00 0.00 N ATOM 540 CA CYS A 41 -4.992 4.702 -0.539 1.00 0.00 C ATOM 541 C CYS A 41 -4.730 3.507 0.380 1.00 0.00 C ATOM 542 O CYS A 41 -5.552 2.596 0.471 1.00 0.00 O ATOM 543 CB CYS A 41 -6.286 5.431 -0.172 1.00 0.00 C ATOM 544 SG CYS A 41 -6.047 7.240 -0.318 1.00 0.00 S ATOM 0 H CYS A 41 -5.279 3.244 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.193 5.434 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.094 5.108 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.581 5.176 0.846 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.303 7.497 -1.352 1.00 0.00 H new ATOM 549 N VAL A 42 -3.581 3.549 1.039 1.00 0.00 N ATOM 550 CA VAL A 42 -3.201 2.482 1.948 1.00 0.00 C ATOM 551 C VAL A 42 -4.419 2.062 2.774 1.00 0.00 C ATOM 552 O VAL A 42 -4.784 0.888 2.795 1.00 0.00 O ATOM 553 CB VAL A 42 -2.018 2.926 2.811 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.743 3.047 1.974 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.328 4.240 3.531 1.00 0.00 C ATOM 0 H VAL A 42 -2.901 4.305 0.961 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.869 1.606 1.390 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.850 2.160 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.082 3.364 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.507 2.080 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.895 3.783 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.471 4.533 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.536 5.018 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.198 4.106 4.173 1.00 0.00 H new ATOM 565 N ASP A 43 -5.014 3.045 3.433 1.00 0.00 N ATOM 566 CA ASP A 43 -6.183 2.792 4.258 1.00 0.00 C ATOM 567 C ASP A 43 -7.203 1.984 3.454 1.00 0.00 C ATOM 568 O ASP A 43 -7.702 0.963 3.927 1.00 0.00 O ATOM 569 CB ASP A 43 -6.849 4.102 4.686 1.00 0.00 C ATOM 570 CG ASP A 43 -6.597 4.511 6.139 1.00 0.00 C ATOM 571 OD1 ASP A 43 -5.946 3.714 6.848 1.00 0.00 O ATOM 572 OD2 ASP A 43 -7.061 5.612 6.506 1.00 0.00 O ATOM 0 H ASP A 43 -4.709 4.018 3.413 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.859 2.246 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.497 4.901 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.924 4.013 4.531 1.00 0.00 H new ATOM 576 N LEU A 44 -7.484 2.470 2.255 1.00 0.00 N ATOM 577 CA LEU A 44 -8.436 1.805 1.381 1.00 0.00 C ATOM 578 C LEU A 44 -8.026 0.341 1.207 1.00 0.00 C ATOM 579 O LEU A 44 -8.787 -0.565 1.543 1.00 0.00 O ATOM 580 CB LEU A 44 -8.574 2.566 0.061 1.00 0.00 C ATOM 581 CG LEU A 44 -9.700 3.599 -0.003 1.00 0.00 C ATOM 582 CD1 LEU A 44 -9.531 4.664 1.081 1.00 0.00 C ATOM 583 CD2 LEU A 44 -9.802 4.214 -1.400 1.00 0.00 C ATOM 0 H LEU A 44 -7.069 3.317 1.867 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.430 1.807 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.631 3.073 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.727 1.841 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.642 3.088 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.345 5.385 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.548 4.190 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.579 5.177 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.610 4.945 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.862 4.706 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.006 3.430 -2.129 1.00 0.00 H new ATOM 594 N THR A 45 -6.824 0.155 0.683 1.00 0.00 N ATOM 595 CA THR A 45 -6.303 -1.183 0.459 1.00 0.00 C ATOM 596 C THR A 45 -6.688 -2.105 1.620 1.00 0.00 C ATOM 597 O THR A 45 -7.310 -3.145 1.411 1.00 0.00 O ATOM 598 CB THR A 45 -4.793 -1.074 0.246 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.666 -0.527 -1.064 1.00 0.00 O ATOM 600 CG2 THR A 45 -4.114 -2.441 0.146 1.00 0.00 C ATOM 0 H THR A 45 -6.195 0.909 0.407 1.00 0.00 H new ATOM 0 HA THR A 45 -6.739 -1.633 -0.433 1.00 0.00 H new ATOM 0 HB THR A 45 -4.351 -0.509 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.035 -1.067 -1.584 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.043 -2.305 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.283 -2.999 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.532 -2.994 -0.695 1.00 0.00 H new ATOM 608 N ILE A 46 -6.301 -1.688 2.817 1.00 0.00 N ATOM 609 CA ILE A 46 -6.597 -2.464 4.010 1.00 0.00 C ATOM 610 C ILE A 46 -8.069 -2.882 3.988 1.00 0.00 C ATOM 611 O ILE A 46 -8.382 -4.067 4.080 1.00 0.00 O ATOM 612 CB ILE A 46 -6.196 -1.688 5.266 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.693 -1.803 5.525 1.00 0.00 C ATOM 614 CG2 ILE A 46 -7.022 -2.134 6.474 1.00 0.00 C ATOM 615 CD1 ILE A 46 -4.042 -0.419 5.600 1.00 0.00 C ATOM 0 H ILE A 46 -5.786 -0.824 2.986 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.006 -3.379 4.027 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.414 -0.633 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.521 -2.341 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.227 -2.386 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.717 -1.567 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.079 -1.957 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.859 -3.197 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.973 -0.529 5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.195 0.107 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.494 0.152 6.411 1.00 0.00 H new ATOM 626 N THR A 47 -8.933 -1.885 3.866 1.00 0.00 N ATOM 627 CA THR A 47 -10.364 -2.134 3.832 1.00 0.00 C ATOM 628 C THR A 47 -10.719 -3.043 2.654 1.00 0.00 C ATOM 629 O THR A 47 -11.391 -4.058 2.828 1.00 0.00 O ATOM 630 CB THR A 47 -11.079 -0.782 3.794 1.00 0.00 C ATOM 631 OG1 THR A 47 -11.276 -0.454 5.167 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.496 -0.885 3.228 1.00 0.00 C ATOM 0 H THR A 47 -8.669 -0.903 3.789 1.00 0.00 H new ATOM 0 HA THR A 47 -10.694 -2.667 4.724 1.00 0.00 H new ATOM 0 HB THR A 47 -10.499 -0.082 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.733 0.410 5.235 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.959 0.102 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.454 -1.271 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.087 -1.560 3.847 1.00 0.00 H new ATOM 640 N ASN A 48 -10.250 -2.645 1.480 1.00 0.00 N ATOM 641 CA ASN A 48 -10.510 -3.411 0.273 1.00 0.00 C ATOM 642 C ASN A 48 -10.214 -4.889 0.538 1.00 0.00 C ATOM 643 O ASN A 48 -11.086 -5.740 0.367 1.00 0.00 O ATOM 644 CB ASN A 48 -9.612 -2.948 -0.876 1.00 0.00 C ATOM 645 CG ASN A 48 -9.588 -1.422 -0.974 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.430 -0.727 -0.430 1.00 0.00 O ATOM 647 ND2 ASN A 48 -8.579 -0.941 -1.695 1.00 0.00 N ATOM 0 H ASN A 48 -9.692 -1.803 1.339 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.554 -3.263 -0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.599 -3.322 -0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.970 -3.370 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.476 0.066 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.909 -1.579 -2.124 1.00 0.00 H new ATOM 653 N LEU A 49 -8.982 -5.148 0.951 1.00 0.00 N ATOM 654 CA LEU A 49 -8.562 -6.508 1.242 1.00 0.00 C ATOM 655 C LEU A 49 -9.533 -7.134 2.245 1.00 0.00 C ATOM 656 O LEU A 49 -9.936 -8.286 2.089 1.00 0.00 O ATOM 657 CB LEU A 49 -7.103 -6.531 1.702 1.00 0.00 C ATOM 658 CG LEU A 49 -6.053 -6.638 0.595 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.725 -6.021 1.037 1.00 0.00 C ATOM 660 CD2 LEU A 49 -5.885 -8.089 0.137 1.00 0.00 C ATOM 0 H LEU A 49 -8.262 -4.440 1.091 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.598 -7.119 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.909 -5.623 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.971 -7.371 2.383 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.404 -6.067 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.996 -6.111 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.875 -4.968 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.357 -6.544 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.133 -8.137 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.567 -8.702 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.835 -8.462 -0.245 1.00 0.00 H new ATOM 671 N LEU A 50 -9.880 -6.349 3.253 1.00 0.00 N ATOM 672 CA LEU A 50 -10.796 -6.812 4.283 1.00 0.00 C ATOM 673 C LEU A 50 -12.083 -7.312 3.625 1.00 0.00 C ATOM 674 O LEU A 50 -12.407 -8.497 3.706 1.00 0.00 O ATOM 675 CB LEU A 50 -11.024 -5.719 5.327 1.00 0.00 C ATOM 676 CG LEU A 50 -10.441 -5.986 6.717 1.00 0.00 C ATOM 677 CD1 LEU A 50 -9.053 -5.359 6.858 1.00 0.00 C ATOM 678 CD2 LEU A 50 -11.397 -5.513 7.813 1.00 0.00 C ATOM 0 H LEU A 50 -9.544 -5.394 3.380 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.366 -7.654 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.599 -4.789 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.098 -5.560 5.429 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.322 -7.063 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.661 -5.563 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.384 -5.785 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.124 -4.281 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.958 -5.715 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.571 -4.442 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.344 -6.045 7.724 1.00 0.00 H new ATOM 689 N GLU A 51 -12.784 -6.385 2.987 1.00 0.00 N ATOM 690 CA GLU A 51 -14.029 -6.719 2.316 1.00 0.00 C ATOM 691 C GLU A 51 -13.767 -7.052 0.846 1.00 0.00 C ATOM 692 O GLU A 51 -13.428 -8.187 0.514 1.00 0.00 O ATOM 693 CB GLU A 51 -15.043 -5.581 2.447 1.00 0.00 C ATOM 694 CG GLU A 51 -15.546 -5.458 3.887 1.00 0.00 C ATOM 695 CD GLU A 51 -16.617 -6.509 4.185 1.00 0.00 C ATOM 696 OE1 GLU A 51 -17.447 -6.747 3.280 1.00 0.00 O ATOM 697 OE2 GLU A 51 -16.584 -7.050 5.311 1.00 0.00 O ATOM 0 H GLU A 51 -12.513 -5.404 2.921 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.454 -7.600 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.584 -4.642 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.885 -5.760 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.712 -5.577 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.955 -4.461 4.049 1.00 0.00 H new ATOM 702 N GLY A 52 -13.933 -6.043 0.004 1.00 0.00 N ATOM 703 CA GLY A 52 -13.718 -6.215 -1.422 1.00 0.00 C ATOM 704 C GLY A 52 -13.947 -4.902 -2.174 1.00 0.00 C ATOM 705 O GLY A 52 -15.087 -4.474 -2.350 1.00 0.00 O ATOM 0 H GLY A 52 -14.214 -5.103 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.702 -6.568 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.393 -6.980 -1.805 1.00 0.00 H new ATOM 709 N ALA A 53 -12.846 -4.299 -2.596 1.00 0.00 N ATOM 710 CA ALA A 53 -12.911 -3.044 -3.324 1.00 0.00 C ATOM 711 C ALA A 53 -12.030 -3.135 -4.572 1.00 0.00 C ATOM 712 O ALA A 53 -10.974 -2.509 -4.637 1.00 0.00 O ATOM 713 CB ALA A 53 -12.497 -1.896 -2.402 1.00 0.00 C ATOM 0 H ALA A 53 -11.902 -4.657 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.931 -2.846 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.546 -0.954 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.172 -1.855 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.478 -2.060 -2.052 1.00 0.00 H new ATOM 719 N VAL A 54 -12.497 -3.921 -5.531 1.00 0.00 N ATOM 720 CA VAL A 54 -11.764 -4.104 -6.772 1.00 0.00 C ATOM 721 C VAL A 54 -12.695 -3.824 -7.954 1.00 0.00 C ATOM 722 O VAL A 54 -13.838 -4.277 -7.970 1.00 0.00 O ATOM 723 CB VAL A 54 -11.147 -5.503 -6.815 1.00 0.00 C ATOM 724 CG1 VAL A 54 -10.491 -5.771 -8.171 1.00 0.00 C ATOM 725 CG2 VAL A 54 -10.146 -5.697 -5.674 1.00 0.00 C ATOM 0 H VAL A 54 -13.374 -4.438 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.936 -3.397 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.951 -6.227 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.060 -6.772 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.240 -5.695 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.705 -5.037 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.722 -6.700 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.347 -4.960 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.654 -5.569 -4.718 1.00 0.00 H new ATOM 735 N ALA A 55 -12.170 -3.078 -8.915 1.00 0.00 N ATOM 736 CA ALA A 55 -12.940 -2.733 -10.098 1.00 0.00 C ATOM 737 C ALA A 55 -12.242 -3.296 -11.338 1.00 0.00 C ATOM 738 O ALA A 55 -11.703 -2.543 -12.148 1.00 0.00 O ATOM 739 CB ALA A 55 -13.116 -1.215 -10.168 1.00 0.00 C ATOM 0 H ALA A 55 -11.222 -2.703 -8.899 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.935 -3.175 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.694 -0.956 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.642 -0.868 -9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.138 -0.737 -10.220 1.00 0.00 H new ATOM 745 N PHE A 56 -12.272 -4.616 -11.447 1.00 0.00 N ATOM 746 CA PHE A 56 -11.649 -5.289 -12.574 1.00 0.00 C ATOM 747 C PHE A 56 -11.994 -4.588 -13.889 1.00 0.00 C ATOM 748 O PHE A 56 -13.139 -4.194 -14.106 1.00 0.00 O ATOM 749 CB PHE A 56 -12.206 -6.713 -12.608 1.00 0.00 C ATOM 750 CG PHE A 56 -13.692 -6.793 -12.963 1.00 0.00 C ATOM 751 CD1 PHE A 56 -14.084 -6.740 -14.264 1.00 0.00 C ATOM 752 CD2 PHE A 56 -14.621 -6.916 -11.978 1.00 0.00 C ATOM 753 CE1 PHE A 56 -15.463 -6.813 -14.594 1.00 0.00 C ATOM 754 CE2 PHE A 56 -16.001 -6.990 -12.307 1.00 0.00 C ATOM 755 CZ PHE A 56 -16.392 -6.937 -13.608 1.00 0.00 C ATOM 0 H PHE A 56 -12.718 -5.238 -10.773 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.565 -5.279 -12.461 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -11.638 -7.297 -13.333 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.051 -7.176 -11.634 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.346 -6.642 -15.047 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -14.310 -6.957 -10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -15.774 -6.770 -15.627 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -16.739 -7.088 -11.524 1.00 0.00 H new ATOM 0 HZ PHE A 56 -17.441 -6.993 -13.859 1.00 0.00 H new ATOM 764 N MET A 57 -10.982 -4.453 -14.734 1.00 0.00 N ATOM 765 CA MET A 57 -11.163 -3.806 -16.023 1.00 0.00 C ATOM 766 C MET A 57 -12.216 -4.537 -16.859 1.00 0.00 C ATOM 767 O MET A 57 -11.983 -5.653 -17.320 1.00 0.00 O ATOM 768 CB MET A 57 -9.832 -3.789 -16.777 1.00 0.00 C ATOM 769 CG MET A 57 -9.081 -2.479 -16.534 1.00 0.00 C ATOM 770 SD MET A 57 -7.420 -2.823 -15.976 1.00 0.00 S ATOM 771 CE MET A 57 -6.758 -1.166 -15.935 1.00 0.00 C ATOM 0 H MET A 57 -10.034 -4.781 -14.551 1.00 0.00 H new ATOM 0 HA MET A 57 -11.506 -2.786 -15.852 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.217 -4.630 -16.456 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.013 -3.916 -17.844 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.051 -1.892 -17.452 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.607 -1.881 -15.790 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.720 -1.197 -15.605 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.809 -0.729 -16.932 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.341 -0.558 -15.243 1.00 0.00 H new ATOM 779 N PRO A 58 -13.382 -3.860 -17.035 1.00 0.00 N ATOM 780 CA PRO A 58 -14.471 -4.432 -17.807 1.00 0.00 C ATOM 781 C PRO A 58 -14.171 -4.371 -19.306 1.00 0.00 C ATOM 782 O PRO A 58 -13.642 -3.375 -19.798 1.00 0.00 O ATOM 783 CB PRO A 58 -15.699 -3.626 -17.415 1.00 0.00 C ATOM 784 CG PRO A 58 -15.173 -2.341 -16.795 1.00 0.00 C ATOM 785 CD PRO A 58 -13.693 -2.535 -16.504 1.00 0.00 C ATOM 0 HA PRO A 58 -14.623 -5.491 -17.598 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.321 -3.414 -18.285 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.318 -4.177 -16.707 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -15.322 -1.501 -17.474 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -15.715 -2.110 -15.878 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.090 -1.764 -16.985 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -13.489 -2.479 -15.435 1.00 0.00 H new ATOM 790 N GLU A 59 -14.520 -5.451 -19.991 1.00 0.00 N ATOM 791 CA GLU A 59 -14.294 -5.532 -21.425 1.00 0.00 C ATOM 792 C GLU A 59 -15.114 -4.465 -22.154 1.00 0.00 C ATOM 793 O GLU A 59 -16.023 -3.873 -21.573 1.00 0.00 O ATOM 794 CB GLU A 59 -14.621 -6.930 -21.952 1.00 0.00 C ATOM 795 CG GLU A 59 -13.443 -7.884 -21.745 1.00 0.00 C ATOM 796 CD GLU A 59 -13.778 -8.950 -20.699 1.00 0.00 C ATOM 797 OE1 GLU A 59 -13.562 -8.658 -19.503 1.00 0.00 O ATOM 798 OE2 GLU A 59 -14.241 -10.032 -21.120 1.00 0.00 O ATOM 0 H GLU A 59 -14.957 -6.276 -19.580 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.238 -5.344 -21.618 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.502 -7.318 -21.441 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.866 -6.874 -23.013 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.189 -8.364 -22.690 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.566 -7.321 -21.427 1.00 0.00 H new ATOM 803 N ASP A 60 -14.765 -4.254 -23.413 1.00 0.00 N ATOM 804 CA ASP A 60 -15.458 -3.270 -24.227 1.00 0.00 C ATOM 805 C ASP A 60 -14.973 -3.378 -25.675 1.00 0.00 C ATOM 806 O ASP A 60 -13.828 -3.044 -25.976 1.00 0.00 O ATOM 807 CB ASP A 60 -15.169 -1.849 -23.737 1.00 0.00 C ATOM 808 CG ASP A 60 -16.307 -1.192 -22.953 1.00 0.00 C ATOM 809 OD1 ASP A 60 -17.182 -0.594 -23.616 1.00 0.00 O ATOM 810 OD2 ASP A 60 -16.275 -1.302 -21.708 1.00 0.00 O ATOM 0 H ASP A 60 -14.011 -4.748 -23.891 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.528 -3.467 -24.156 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.280 -1.872 -23.107 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.933 -1.224 -24.599 1.00 0.00 H new ATOM 814 N ILE A 61 -15.869 -3.846 -26.530 1.00 0.00 N ATOM 815 CA ILE A 61 -15.546 -4.003 -27.939 1.00 0.00 C ATOM 816 C ILE A 61 -15.445 -2.623 -28.592 1.00 0.00 C ATOM 817 O ILE A 61 -14.469 -2.329 -29.280 1.00 0.00 O ATOM 818 CB ILE A 61 -16.554 -4.932 -28.619 1.00 0.00 C ATOM 819 CG1 ILE A 61 -17.750 -4.143 -29.158 1.00 0.00 C ATOM 820 CG2 ILE A 61 -16.987 -6.056 -27.676 1.00 0.00 C ATOM 821 CD1 ILE A 61 -18.435 -3.354 -28.040 1.00 0.00 C ATOM 0 H ILE A 61 -16.818 -4.122 -26.276 1.00 0.00 H new ATOM 0 HA ILE A 61 -14.574 -4.483 -28.056 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.065 -5.400 -29.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.417 -3.459 -29.939 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.465 -4.827 -29.616 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -17.703 -6.702 -28.184 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -16.115 -6.641 -27.383 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -17.451 -5.627 -26.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -19.281 -2.802 -28.450 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.788 -4.043 -27.272 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -17.724 -2.654 -27.600 1.00 0.00 H new TER 832 ILE A 61