USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 38 HIS : no HE2:sc= -1.61 K(o=-3.3,f=-5.1!) USER MOD Set 1.2: A 39 ASN : amide:sc= -1.67 K(o=-3.3,f=-1.6) USER MOD Set 2.1: A 5 MET CE :methyl 160:sc= -1.47 (180deg=-3.34) USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0193 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 146:sc= 0.965 (180deg=0.0541) USER MOD Single : A 6 SER OG : rot 43:sc= 0.125 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -34:sc= 0.578 USER MOD Single : A 20 GLN : amide:sc= 0.405 K(o=0.41,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.052) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.492 X(o=0.49,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.2 (180deg=-0.715) USER MOD Single : A 54 MET CE :methyl -156:sc= -0.46 (180deg=-0.694) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 85:sc= 1.1 USER MOD Single : A 63 SER OG : rot 90:sc= 0.404 USER MOD Single : A 64 MET CE :methyl 176:sc= 0 (180deg=-0.018) USER MOD Single : A 65 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.5!) USER MOD Single : A 71 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.718 K(o=0.72,f=-0.3) USER MOD Single : A 83 THR OG1 : rot 12:sc= 0.353 USER MOD Single : A 85 GLN : amide:sc= -0.532 K(o=-0.53,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.457 -8.892 2.814 1.00 0.00 N ATOM 2 CA GLY A 1 -21.624 -7.468 3.120 1.00 0.00 C ATOM 3 C GLY A 1 -20.276 -6.764 3.140 1.00 0.00 C ATOM 4 O GLY A 1 -19.283 -7.329 3.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.737 -9.070 1.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.461 -9.161 2.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.054 -9.456 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.272 -7.004 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.115 -7.353 4.086 1.00 0.00 H new ATOM 8 N HIS A 2 -20.221 -5.535 2.616 1.00 0.00 N ATOM 9 CA HIS A 2 -19.015 -4.712 2.610 1.00 0.00 C ATOM 10 C HIS A 2 -18.816 -4.099 3.994 1.00 0.00 C ATOM 11 O HIS A 2 -19.695 -3.371 4.457 1.00 0.00 O ATOM 12 CB HIS A 2 -19.142 -3.607 1.551 1.00 0.00 C ATOM 13 CG HIS A 2 -19.130 -4.140 0.138 1.00 0.00 C ATOM 14 ND1 HIS A 2 -17.999 -4.360 -0.623 1.00 0.00 N ATOM 15 CD2 HIS A 2 -20.212 -4.569 -0.579 1.00 0.00 C ATOM 16 CE1 HIS A 2 -18.392 -4.924 -1.782 1.00 0.00 C ATOM 17 NE2 HIS A 2 -19.734 -5.058 -1.778 1.00 0.00 N ATOM 0 H HIS A 2 -21.024 -5.082 2.180 1.00 0.00 H new ATOM 0 HA HIS A 2 -18.152 -5.330 2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -20.068 -3.056 1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.323 -2.898 1.673 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -21.245 -4.532 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -17.736 -5.222 -2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -20.298 -5.452 -2.531 1.00 0.00 H new ATOM 26 N SER A 3 -17.665 -4.331 4.626 1.00 0.00 N ATOM 27 CA SER A 3 -17.324 -3.733 5.919 1.00 0.00 C ATOM 28 C SER A 3 -17.094 -2.221 5.779 1.00 0.00 C ATOM 29 O SER A 3 -17.639 -1.433 6.559 1.00 0.00 O ATOM 30 CB SER A 3 -16.115 -4.470 6.505 1.00 0.00 C ATOM 31 OG SER A 3 -15.924 -4.248 7.887 1.00 0.00 O ATOM 0 H SER A 3 -16.938 -4.942 4.254 1.00 0.00 H new ATOM 0 HA SER A 3 -18.155 -3.845 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.235 -5.539 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.218 -4.159 5.970 1.00 0.00 H new ATOM 0 HG SER A 3 -15.139 -4.748 8.193 1.00 0.00 H new ATOM 37 N LYS A 4 -16.346 -1.775 4.763 1.00 0.00 N ATOM 38 CA LYS A 4 -16.278 -0.358 4.412 1.00 0.00 C ATOM 39 C LYS A 4 -15.964 -0.166 2.933 1.00 0.00 C ATOM 40 O LYS A 4 -15.587 -1.122 2.247 1.00 0.00 O ATOM 41 CB LYS A 4 -15.276 0.392 5.317 1.00 0.00 C ATOM 42 CG LYS A 4 -13.825 -0.089 5.219 1.00 0.00 C ATOM 43 CD LYS A 4 -12.870 0.617 6.198 1.00 0.00 C ATOM 44 CE LYS A 4 -12.735 2.139 6.018 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.612 2.942 6.904 1.00 0.00 N ATOM 0 H LYS A 4 -15.779 -2.380 4.170 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.262 0.078 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.308 1.453 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.604 0.298 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.794 -1.162 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.468 0.067 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.210 0.419 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.881 0.169 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.698 2.423 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.958 2.391 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.126 3.823 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.495 3.169 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.830 2.397 7.763 1.00 0.00 H new ATOM 59 N MET A 5 -16.061 1.085 2.483 1.00 0.00 N ATOM 60 CA MET A 5 -15.664 1.565 1.163 1.00 0.00 C ATOM 61 C MET A 5 -16.345 0.733 0.063 1.00 0.00 C ATOM 62 O MET A 5 -15.720 -0.034 -0.676 1.00 0.00 O ATOM 63 CB MET A 5 -14.118 1.688 1.102 1.00 0.00 C ATOM 64 CG MET A 5 -13.656 3.012 0.473 1.00 0.00 C ATOM 65 SD MET A 5 -12.616 2.936 -1.007 1.00 0.00 S ATOM 66 CE MET A 5 -13.414 1.651 -1.988 1.00 0.00 C ATOM 0 H MET A 5 -16.441 1.832 3.065 1.00 0.00 H new ATOM 0 HA MET A 5 -16.024 2.576 0.971 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.711 1.607 2.110 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.713 0.856 0.526 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.545 3.592 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.112 3.571 1.234 1.00 0.00 H new ATOM 0 HE1 MET A 5 -13.112 1.749 -3.031 1.00 0.00 H new ATOM 0 HE2 MET A 5 -13.117 0.671 -1.614 1.00 0.00 H new ATOM 0 HE3 MET A 5 -14.496 1.755 -1.913 1.00 0.00 H new ATOM 76 N SER A 6 -17.669 0.852 0.007 1.00 0.00 N ATOM 77 CA SER A 6 -18.569 0.108 -0.855 1.00 0.00 C ATOM 78 C SER A 6 -18.795 0.889 -2.154 1.00 0.00 C ATOM 79 O SER A 6 -19.506 1.897 -2.157 1.00 0.00 O ATOM 80 CB SER A 6 -19.853 -0.156 -0.067 1.00 0.00 C ATOM 81 OG SER A 6 -20.300 1.018 0.595 1.00 0.00 O ATOM 0 H SER A 6 -18.168 1.513 0.602 1.00 0.00 H new ATOM 0 HA SER A 6 -18.153 -0.855 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.630 -0.514 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.678 -0.945 0.665 1.00 0.00 H new ATOM 0 HG SER A 6 -20.213 1.786 -0.007 1.00 0.00 H new ATOM 87 N ASP A 7 -18.143 0.428 -3.224 1.00 0.00 N ATOM 88 CA ASP A 7 -18.103 0.933 -4.594 1.00 0.00 C ATOM 89 C ASP A 7 -17.919 2.449 -4.700 1.00 0.00 C ATOM 90 O ASP A 7 -18.799 3.269 -4.431 1.00 0.00 O ATOM 91 CB ASP A 7 -19.153 0.307 -5.527 1.00 0.00 C ATOM 92 CG ASP A 7 -20.601 0.714 -5.294 1.00 0.00 C ATOM 93 OD1 ASP A 7 -21.286 -0.017 -4.540 1.00 0.00 O ATOM 94 OD2 ASP A 7 -21.099 1.646 -5.967 1.00 0.00 O ATOM 0 H ASP A 7 -17.563 -0.407 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.168 0.557 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.889 0.559 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.085 -0.777 -5.437 1.00 0.00 H new ATOM 99 N VAL A 8 -16.685 2.801 -5.055 1.00 0.00 N ATOM 100 CA VAL A 8 -16.011 4.097 -4.966 1.00 0.00 C ATOM 101 C VAL A 8 -15.059 4.164 -6.170 1.00 0.00 C ATOM 102 O VAL A 8 -14.009 4.804 -6.148 1.00 0.00 O ATOM 103 CB VAL A 8 -15.278 4.211 -3.608 1.00 0.00 C ATOM 104 CG1 VAL A 8 -14.843 5.638 -3.244 1.00 0.00 C ATOM 105 CG2 VAL A 8 -16.185 3.733 -2.472 1.00 0.00 C ATOM 0 H VAL A 8 -16.060 2.104 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.704 4.938 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.387 3.593 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.337 5.629 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.162 6.017 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.720 6.283 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.656 3.819 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.085 4.347 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.461 2.692 -2.640 1.00 0.00 H new ATOM 115 N LYS A 9 -15.401 3.393 -7.204 1.00 0.00 N ATOM 116 CA LYS A 9 -14.762 3.183 -8.500 1.00 0.00 C ATOM 117 C LYS A 9 -13.482 2.354 -8.356 1.00 0.00 C ATOM 118 O LYS A 9 -13.366 1.271 -8.942 1.00 0.00 O ATOM 119 CB LYS A 9 -14.544 4.528 -9.208 1.00 0.00 C ATOM 120 CG LYS A 9 -15.882 5.262 -9.401 1.00 0.00 C ATOM 121 CD LYS A 9 -16.390 5.173 -10.844 1.00 0.00 C ATOM 122 CE LYS A 9 -17.887 5.476 -10.853 1.00 0.00 C ATOM 123 NZ LYS A 9 -18.180 6.923 -10.754 1.00 0.00 N ATOM 0 H LYS A 9 -16.247 2.827 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.424 2.597 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.865 5.147 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.071 4.363 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.627 4.837 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.763 6.309 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.857 5.882 -11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.203 4.179 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.327 5.083 -11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.363 4.956 -10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.209 7.070 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.786 7.297 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.751 7.420 -11.560 1.00 0.00 H new ATOM 137 N CYS A 10 -12.532 2.831 -7.553 1.00 0.00 N ATOM 138 CA CYS A 10 -11.130 2.435 -7.566 1.00 0.00 C ATOM 139 C CYS A 10 -10.686 1.845 -6.236 1.00 0.00 C ATOM 140 O CYS A 10 -9.579 2.095 -5.759 1.00 0.00 O ATOM 141 CB CYS A 10 -10.284 3.655 -7.994 1.00 0.00 C ATOM 142 SG CYS A 10 -10.899 4.382 -9.544 1.00 0.00 S ATOM 0 H CYS A 10 -12.731 3.537 -6.844 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.984 1.632 -8.289 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.303 4.407 -7.205 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.245 3.352 -8.120 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.163 5.404 -9.866 1.00 0.00 H new ATOM 148 N THR A 11 -11.517 0.965 -5.703 1.00 0.00 N ATOM 149 CA THR A 11 -11.243 0.101 -4.578 1.00 0.00 C ATOM 150 C THR A 11 -9.884 -0.610 -4.707 1.00 0.00 C ATOM 151 O THR A 11 -8.918 -0.287 -4.002 1.00 0.00 O ATOM 152 CB THR A 11 -12.432 -0.874 -4.509 1.00 0.00 C ATOM 153 OG1 THR A 11 -13.656 -0.161 -4.588 1.00 0.00 O ATOM 154 CG2 THR A 11 -12.341 -1.724 -3.266 1.00 0.00 C ATOM 0 H THR A 11 -12.459 0.830 -6.071 1.00 0.00 H new ATOM 0 HA THR A 11 -11.153 0.666 -3.650 1.00 0.00 H new ATOM 0 HB THR A 11 -12.397 -1.550 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.405 -0.791 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.188 -2.409 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.413 -2.296 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.356 -1.083 -2.385 1.00 0.00 H new ATOM 162 N SER A 12 -9.795 -1.611 -5.583 1.00 0.00 N ATOM 163 CA SER A 12 -8.726 -2.607 -5.583 1.00 0.00 C ATOM 164 C SER A 12 -7.840 -2.439 -6.806 1.00 0.00 C ATOM 165 O SER A 12 -7.329 -3.401 -7.367 1.00 0.00 O ATOM 166 CB SER A 12 -9.391 -3.994 -5.451 1.00 0.00 C ATOM 167 OG SER A 12 -10.688 -4.016 -6.039 1.00 0.00 O ATOM 0 H SER A 12 -10.478 -1.754 -6.327 1.00 0.00 H new ATOM 0 HA SER A 12 -8.047 -2.483 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.762 -4.746 -5.929 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.465 -4.263 -4.397 1.00 0.00 H new ATOM 0 HG SER A 12 -11.078 -4.910 -5.938 1.00 0.00 H new ATOM 173 N VAL A 13 -7.626 -1.178 -7.169 1.00 0.00 N ATOM 174 CA VAL A 13 -6.875 -0.781 -8.345 1.00 0.00 C ATOM 175 C VAL A 13 -5.702 0.120 -7.946 1.00 0.00 C ATOM 176 O VAL A 13 -4.557 -0.159 -8.270 1.00 0.00 O ATOM 177 CB VAL A 13 -7.868 -0.228 -9.383 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.029 -1.201 -9.638 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.458 1.119 -8.992 1.00 0.00 C ATOM 0 H VAL A 13 -7.982 -0.385 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.381 -1.618 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.277 -0.101 -10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.707 -0.773 -10.376 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.636 -2.147 -10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.569 -1.375 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.149 1.452 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.992 1.022 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.656 1.849 -8.883 1.00 0.00 H new ATOM 189 N VAL A 14 -5.967 1.158 -7.143 1.00 0.00 N ATOM 190 CA VAL A 14 -5.038 2.250 -6.846 1.00 0.00 C ATOM 191 C VAL A 14 -3.642 1.766 -6.431 1.00 0.00 C ATOM 192 O VAL A 14 -2.628 2.135 -7.023 1.00 0.00 O ATOM 193 CB VAL A 14 -5.676 3.314 -5.939 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.874 3.983 -6.617 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.154 2.657 -4.664 1.00 0.00 C ATOM 0 H VAL A 14 -6.864 1.262 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.839 2.774 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.923 4.074 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.301 4.730 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.548 4.466 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.628 3.231 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.608 3.407 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.891 1.891 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.308 2.199 -4.152 1.00 0.00 H new ATOM 205 N LEU A 15 -3.576 0.867 -5.447 1.00 0.00 N ATOM 206 CA LEU A 15 -2.313 0.370 -4.922 1.00 0.00 C ATOM 207 C LEU A 15 -1.660 -0.624 -5.869 1.00 0.00 C ATOM 208 O LEU A 15 -0.437 -0.755 -5.872 1.00 0.00 O ATOM 209 CB LEU A 15 -2.567 -0.291 -3.569 1.00 0.00 C ATOM 210 CG LEU A 15 -1.304 -0.628 -2.761 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.374 0.573 -2.546 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.687 -1.191 -1.396 1.00 0.00 C ATOM 0 H LEU A 15 -4.398 0.466 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.630 1.212 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.196 0.369 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.132 -1.209 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.761 -1.364 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.496 0.261 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.049 0.959 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.908 1.354 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.784 -1.426 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.274 -0.453 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.278 -2.097 -1.529 1.00 0.00 H new ATOM 224 N LEU A 16 -2.458 -1.331 -6.669 1.00 0.00 N ATOM 225 CA LEU A 16 -1.943 -2.172 -7.735 1.00 0.00 C ATOM 226 C LEU A 16 -1.283 -1.284 -8.804 1.00 0.00 C ATOM 227 O LEU A 16 -0.231 -1.646 -9.326 1.00 0.00 O ATOM 228 CB LEU A 16 -3.042 -3.099 -8.301 1.00 0.00 C ATOM 229 CG LEU A 16 -3.200 -4.471 -7.598 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.410 -4.442 -6.069 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.366 -5.218 -8.234 1.00 0.00 C ATOM 0 H LEU A 16 -3.475 -1.333 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.177 -2.841 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.996 -2.574 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.833 -3.275 -9.356 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.241 -4.968 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.507 -5.461 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.555 -3.961 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.316 -3.883 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.487 -6.186 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.280 -4.635 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.167 -5.368 -9.295 1.00 0.00 H new ATOM 243 N SER A 17 -1.795 -0.074 -9.040 1.00 0.00 N ATOM 244 CA SER A 17 -1.200 0.853 -9.995 1.00 0.00 C ATOM 245 C SER A 17 0.056 1.553 -9.443 1.00 0.00 C ATOM 246 O SER A 17 0.638 2.352 -10.175 1.00 0.00 O ATOM 247 CB SER A 17 -2.249 1.877 -10.460 1.00 0.00 C ATOM 248 OG SER A 17 -1.752 2.607 -11.574 1.00 0.00 O ATOM 0 H SER A 17 -2.629 0.286 -8.576 1.00 0.00 H new ATOM 0 HA SER A 17 -0.868 0.268 -10.853 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.173 1.366 -10.732 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.490 2.560 -9.645 1.00 0.00 H new ATOM 0 HG SER A 17 -0.784 2.731 -11.479 1.00 0.00 H new ATOM 254 N VAL A 18 0.464 1.329 -8.185 1.00 0.00 N ATOM 255 CA VAL A 18 1.643 1.970 -7.593 1.00 0.00 C ATOM 256 C VAL A 18 2.660 0.918 -7.130 1.00 0.00 C ATOM 257 O VAL A 18 3.769 0.876 -7.654 1.00 0.00 O ATOM 258 CB VAL A 18 1.197 3.023 -6.546 1.00 0.00 C ATOM 259 CG1 VAL A 18 2.332 3.649 -5.720 1.00 0.00 C ATOM 260 CG2 VAL A 18 0.480 4.179 -7.266 1.00 0.00 C ATOM 0 H VAL A 18 -0.018 0.695 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 18 2.198 2.544 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 18 0.557 2.476 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.915 4.371 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.855 2.867 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.032 4.153 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.164 4.923 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.161 4.640 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.393 3.794 -7.792 1.00 0.00 H new ATOM 270 N LEU A 19 2.320 0.049 -6.174 1.00 0.00 N ATOM 271 CA LEU A 19 3.306 -0.799 -5.498 1.00 0.00 C ATOM 272 C LEU A 19 3.742 -1.968 -6.387 1.00 0.00 C ATOM 273 O LEU A 19 4.805 -1.916 -7.010 1.00 0.00 O ATOM 274 CB LEU A 19 2.771 -1.233 -4.115 1.00 0.00 C ATOM 275 CG LEU A 19 3.592 -0.692 -2.939 1.00 0.00 C ATOM 276 CD1 LEU A 19 5.013 -1.262 -2.907 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.577 0.832 -2.886 1.00 0.00 C ATOM 0 H LEU A 19 1.363 -0.086 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 19 4.214 -0.224 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.740 -0.896 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.757 -2.322 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 19 3.103 -1.042 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.552 -0.847 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.968 -2.347 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.532 -0.998 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.171 1.172 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.999 1.232 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.551 1.182 -2.774 1.00 0.00 H new ATOM 289 N GLN A 20 2.899 -2.998 -6.529 1.00 0.00 N ATOM 290 CA GLN A 20 3.086 -4.138 -7.416 1.00 0.00 C ATOM 291 C GLN A 20 3.303 -3.805 -8.887 1.00 0.00 C ATOM 292 O GLN A 20 3.653 -4.642 -9.712 1.00 0.00 O ATOM 293 CB GLN A 20 1.837 -4.996 -7.276 1.00 0.00 C ATOM 294 CG GLN A 20 0.619 -4.512 -8.041 1.00 0.00 C ATOM 295 CD GLN A 20 0.363 -5.078 -9.439 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.096 -6.263 -9.618 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.295 -4.211 -10.433 1.00 0.00 N ATOM 0 H GLN A 20 2.028 -3.056 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 20 4.007 -4.637 -7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.074 -6.007 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.578 -5.059 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.260 -4.722 -7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.693 -3.428 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.520 -3.229 -10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.018 -4.523 -11.364 1.00 0.00 H new ATOM 306 N GLN A 21 3.055 -2.547 -9.211 1.00 0.00 N ATOM 307 CA GLN A 21 3.322 -2.004 -10.516 1.00 0.00 C ATOM 308 C GLN A 21 4.773 -2.328 -10.937 1.00 0.00 C ATOM 309 O GLN A 21 5.015 -2.584 -12.112 1.00 0.00 O ATOM 310 CB GLN A 21 3.050 -0.488 -10.487 1.00 0.00 C ATOM 311 CG GLN A 21 2.279 0.024 -11.700 1.00 0.00 C ATOM 312 CD GLN A 21 2.891 -0.413 -13.020 1.00 0.00 C ATOM 313 OE1 GLN A 21 2.365 -1.311 -13.671 1.00 0.00 O ATOM 314 NE2 GLN A 21 4.003 0.178 -13.414 1.00 0.00 N ATOM 0 H GLN A 21 2.657 -1.871 -8.559 1.00 0.00 H new ATOM 0 HA GLN A 21 2.666 -2.456 -11.260 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.490 -0.246 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.001 0.041 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.250 -0.333 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.241 1.113 -11.666 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.413 0.921 -12.849 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.452 -0.108 -14.284 1.00 0.00 H new ATOM 323 N LEU A 22 5.727 -2.343 -9.986 1.00 0.00 N ATOM 324 CA LEU A 22 7.104 -2.810 -10.202 1.00 0.00 C ATOM 325 C LEU A 22 7.677 -3.604 -9.021 1.00 0.00 C ATOM 326 O LEU A 22 8.504 -4.484 -9.267 1.00 0.00 O ATOM 327 CB LEU A 22 8.057 -1.643 -10.505 1.00 0.00 C ATOM 328 CG LEU A 22 7.952 -1.139 -11.960 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.351 0.267 -12.032 1.00 0.00 C ATOM 330 CD2 LEU A 22 9.320 -1.203 -12.629 1.00 0.00 C ATOM 0 H LEU A 22 5.556 -2.025 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 22 7.036 -3.478 -11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.841 -0.819 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.082 -1.958 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 22 7.270 -1.793 -12.503 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.294 0.585 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.350 0.257 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.980 0.961 -11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.240 -0.846 -13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.023 -0.576 -12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.677 -2.233 -12.630 1.00 0.00 H new ATOM 342 N ARG A 23 7.345 -3.274 -7.762 1.00 0.00 N ATOM 343 CA ARG A 23 8.028 -3.829 -6.581 1.00 0.00 C ATOM 344 C ARG A 23 7.776 -5.334 -6.483 1.00 0.00 C ATOM 345 O ARG A 23 8.657 -6.140 -6.761 1.00 0.00 O ATOM 346 CB ARG A 23 7.577 -3.123 -5.279 1.00 0.00 C ATOM 347 CG ARG A 23 8.282 -1.805 -4.926 1.00 0.00 C ATOM 348 CD ARG A 23 7.995 -0.694 -5.932 1.00 0.00 C ATOM 349 NE ARG A 23 8.479 0.617 -5.457 1.00 0.00 N ATOM 350 CZ ARG A 23 9.724 1.100 -5.344 1.00 0.00 C ATOM 351 NH1 ARG A 23 10.775 0.414 -5.775 1.00 0.00 N ATOM 352 NH2 ARG A 23 9.918 2.287 -4.778 1.00 0.00 N ATOM 0 H ARG A 23 6.598 -2.617 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 23 9.097 -3.653 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.507 -2.927 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.718 -3.816 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.964 -1.482 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.357 -1.975 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.471 -0.934 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.922 -0.640 -6.117 1.00 0.00 H new ATOM 0 HE ARG A 23 7.744 1.262 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.645 -0.502 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.713 0.803 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.122 2.824 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.863 2.661 -4.689 1.00 0.00 H new ATOM 366 N VAL A 24 6.558 -5.679 -6.094 1.00 0.00 N ATOM 367 CA VAL A 24 6.054 -7.029 -5.914 1.00 0.00 C ATOM 368 C VAL A 24 5.418 -7.423 -7.239 1.00 0.00 C ATOM 369 O VAL A 24 4.588 -6.700 -7.769 1.00 0.00 O ATOM 370 CB VAL A 24 5.099 -7.091 -4.701 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.079 -5.954 -4.635 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.336 -8.423 -4.618 1.00 0.00 C ATOM 0 H VAL A 24 5.850 -4.976 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 24 6.839 -7.747 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 24 5.773 -6.989 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.452 -6.079 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.602 -4.999 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.455 -5.972 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.680 -8.413 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.740 -8.558 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.047 -9.244 -4.527 1.00 0.00 H new ATOM 382 N GLU A 25 5.850 -8.535 -7.800 1.00 0.00 N ATOM 383 CA GLU A 25 5.578 -8.896 -9.186 1.00 0.00 C ATOM 384 C GLU A 25 4.083 -9.067 -9.499 1.00 0.00 C ATOM 385 O GLU A 25 3.510 -8.236 -10.205 1.00 0.00 O ATOM 386 CB GLU A 25 6.425 -10.097 -9.640 1.00 0.00 C ATOM 387 CG GLU A 25 6.621 -11.239 -8.629 1.00 0.00 C ATOM 388 CD GLU A 25 7.816 -10.964 -7.709 1.00 0.00 C ATOM 389 OE1 GLU A 25 8.966 -11.158 -8.177 1.00 0.00 O ATOM 390 OE2 GLU A 25 7.599 -10.501 -6.564 1.00 0.00 O ATOM 0 H GLU A 25 6.409 -9.227 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 25 5.890 -8.041 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.967 -10.514 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.409 -9.727 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.718 -11.358 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.777 -12.177 -9.161 1.00 0.00 H new ATOM 397 N SER A 26 3.467 -10.176 -9.091 1.00 0.00 N ATOM 398 CA SER A 26 2.066 -10.505 -9.344 1.00 0.00 C ATOM 399 C SER A 26 1.742 -11.759 -8.527 1.00 0.00 C ATOM 400 O SER A 26 2.643 -12.563 -8.263 1.00 0.00 O ATOM 401 CB SER A 26 1.843 -10.763 -10.849 1.00 0.00 C ATOM 402 OG SER A 26 0.468 -10.784 -11.190 1.00 0.00 O ATOM 0 H SER A 26 3.949 -10.897 -8.555 1.00 0.00 H new ATOM 0 HA SER A 26 1.414 -9.682 -9.053 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.347 -9.989 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.299 -11.714 -11.124 1.00 0.00 H new ATOM 0 HG SER A 26 0.372 -10.948 -12.151 1.00 0.00 H new ATOM 408 N SER A 27 0.466 -11.943 -8.175 1.00 0.00 N ATOM 409 CA SER A 27 -0.090 -13.050 -7.403 1.00 0.00 C ATOM 410 C SER A 27 0.833 -13.571 -6.302 1.00 0.00 C ATOM 411 O SER A 27 1.544 -14.559 -6.465 1.00 0.00 O ATOM 412 CB SER A 27 -0.580 -14.169 -8.325 1.00 0.00 C ATOM 413 OG SER A 27 -1.786 -13.787 -8.964 1.00 0.00 O ATOM 0 H SER A 27 -0.254 -11.272 -8.443 1.00 0.00 H new ATOM 0 HA SER A 27 -0.950 -12.644 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.181 -14.393 -9.073 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.739 -15.081 -7.749 1.00 0.00 H new ATOM 0 HG SER A 27 -2.088 -14.510 -9.552 1.00 0.00 H new ATOM 419 N SER A 28 0.744 -12.936 -5.142 1.00 0.00 N ATOM 420 CA SER A 28 1.253 -13.450 -3.889 1.00 0.00 C ATOM 421 C SER A 28 0.139 -13.270 -2.874 1.00 0.00 C ATOM 422 O SER A 28 -0.140 -12.133 -2.500 1.00 0.00 O ATOM 423 CB SER A 28 2.506 -12.666 -3.470 1.00 0.00 C ATOM 424 OG SER A 28 3.678 -13.392 -3.737 1.00 0.00 O ATOM 0 H SER A 28 0.301 -12.022 -5.049 1.00 0.00 H new ATOM 0 HA SER A 28 1.541 -14.498 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.536 -11.715 -4.001 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.454 -12.435 -2.406 1.00 0.00 H new ATOM 0 HG SER A 28 4.458 -12.867 -3.461 1.00 0.00 H new ATOM 430 N LYS A 29 -0.497 -14.342 -2.402 1.00 0.00 N ATOM 431 CA LYS A 29 -1.404 -14.261 -1.253 1.00 0.00 C ATOM 432 C LYS A 29 -0.725 -13.570 -0.071 1.00 0.00 C ATOM 433 O LYS A 29 -1.376 -12.819 0.648 1.00 0.00 O ATOM 434 CB LYS A 29 -1.894 -15.659 -0.860 1.00 0.00 C ATOM 435 CG LYS A 29 -3.037 -16.160 -1.742 1.00 0.00 C ATOM 436 CD LYS A 29 -4.369 -15.532 -1.322 1.00 0.00 C ATOM 437 CE LYS A 29 -5.528 -16.218 -2.038 1.00 0.00 C ATOM 438 NZ LYS A 29 -6.160 -17.259 -1.200 1.00 0.00 N ATOM 0 H LYS A 29 -0.402 -15.278 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.268 -13.662 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.062 -16.360 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.224 -15.644 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.830 -15.919 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.105 -17.246 -1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.496 -15.620 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.367 -14.468 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.274 -15.473 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.167 -16.667 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.942 -17.700 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.455 -17.984 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.528 -16.827 -0.328 1.00 0.00 H new ATOM 452 N LEU A 30 0.593 -13.748 0.063 1.00 0.00 N ATOM 453 CA LEU A 30 1.449 -13.033 0.993 1.00 0.00 C ATOM 454 C LEU A 30 1.212 -11.519 0.859 1.00 0.00 C ATOM 455 O LEU A 30 0.759 -10.873 1.797 1.00 0.00 O ATOM 456 CB LEU A 30 2.895 -13.500 0.718 1.00 0.00 C ATOM 457 CG LEU A 30 3.976 -12.988 1.681 1.00 0.00 C ATOM 458 CD1 LEU A 30 5.312 -13.678 1.404 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.173 -11.487 1.505 1.00 0.00 C ATOM 0 H LEU A 30 1.107 -14.425 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 30 1.227 -13.251 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.911 -14.590 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.166 -13.194 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 30 3.647 -13.208 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.066 -13.302 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.200 -14.754 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.624 -13.470 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.942 -11.138 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.481 -11.278 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.236 -10.970 1.714 1.00 0.00 H new ATOM 471 N TRP A 31 1.503 -10.923 -0.296 1.00 0.00 N ATOM 472 CA TRP A 31 1.327 -9.487 -0.538 1.00 0.00 C ATOM 473 C TRP A 31 -0.142 -9.082 -0.465 1.00 0.00 C ATOM 474 O TRP A 31 -0.480 -8.037 0.102 1.00 0.00 O ATOM 475 CB TRP A 31 1.971 -9.144 -1.884 1.00 0.00 C ATOM 476 CG TRP A 31 1.277 -8.156 -2.766 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.378 -6.817 -2.673 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.417 -8.404 -3.917 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.709 -6.228 -3.726 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.034 -7.158 -4.483 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.070 -9.564 -4.544 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.828 -7.074 -5.587 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.922 -9.501 -5.663 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.312 -8.253 -6.176 1.00 0.00 C ATOM 0 H TRP A 31 1.872 -11.428 -1.102 1.00 0.00 H new ATOM 0 HA TRP A 31 1.823 -8.912 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.975 -8.767 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.083 -10.071 -2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.903 -6.285 -1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.714 -5.227 -3.920 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.217 -10.530 -4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.117 -6.111 -5.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.275 -10.411 -6.126 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.982 -8.200 -7.021 1.00 0.00 H new ATOM 495 N ALA A 32 -1.025 -9.925 -0.997 1.00 0.00 N ATOM 496 CA ALA A 32 -2.451 -9.683 -1.003 1.00 0.00 C ATOM 497 C ALA A 32 -2.974 -9.553 0.442 1.00 0.00 C ATOM 498 O ALA A 32 -3.917 -8.801 0.658 1.00 0.00 O ATOM 499 CB ALA A 32 -3.165 -10.810 -1.748 1.00 0.00 C ATOM 0 H ALA A 32 -0.758 -10.804 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.656 -8.746 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.239 -10.622 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.803 -10.854 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.963 -11.759 -1.252 1.00 0.00 H new ATOM 505 N GLN A 33 -2.332 -10.185 1.440 1.00 0.00 N ATOM 506 CA GLN A 33 -2.676 -10.106 2.863 1.00 0.00 C ATOM 507 C GLN A 33 -2.629 -8.668 3.409 1.00 0.00 C ATOM 508 O GLN A 33 -3.241 -8.385 4.444 1.00 0.00 O ATOM 509 CB GLN A 33 -1.832 -11.108 3.699 1.00 0.00 C ATOM 510 CG GLN A 33 -0.688 -10.509 4.538 1.00 0.00 C ATOM 511 CD GLN A 33 0.308 -11.564 5.040 1.00 0.00 C ATOM 512 OE1 GLN A 33 0.073 -12.275 6.014 1.00 0.00 O ATOM 513 NE2 GLN A 33 1.445 -11.697 4.381 1.00 0.00 N ATOM 0 H GLN A 33 -1.528 -10.788 1.266 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.718 -10.410 2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.504 -11.643 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.406 -11.846 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.155 -9.771 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.111 -9.981 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.638 -11.106 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.130 -12.391 4.680 1.00 0.00 H new ATOM 522 N CYS A 34 -1.946 -7.755 2.713 1.00 0.00 N ATOM 523 CA CYS A 34 -2.000 -6.319 2.937 1.00 0.00 C ATOM 524 C CYS A 34 -2.697 -5.592 1.794 1.00 0.00 C ATOM 525 O CYS A 34 -3.328 -4.560 2.035 1.00 0.00 O ATOM 526 CB CYS A 34 -0.584 -5.782 3.137 1.00 0.00 C ATOM 527 SG CYS A 34 0.061 -6.110 4.800 1.00 0.00 S ATOM 0 H CYS A 34 -1.319 -8.012 1.951 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.589 -6.135 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.079 -6.234 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.578 -4.707 2.955 1.00 0.00 H new ATOM 0 HG CYS A 34 1.265 -5.631 4.901 1.00 0.00 H new ATOM 533 N VAL A 35 -2.649 -6.106 0.563 1.00 0.00 N ATOM 534 CA VAL A 35 -3.350 -5.447 -0.524 1.00 0.00 C ATOM 535 C VAL A 35 -4.867 -5.463 -0.295 1.00 0.00 C ATOM 536 O VAL A 35 -5.534 -4.537 -0.748 1.00 0.00 O ATOM 537 CB VAL A 35 -2.878 -5.968 -1.904 1.00 0.00 C ATOM 538 CG1 VAL A 35 -3.897 -6.821 -2.677 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.497 -4.778 -2.790 1.00 0.00 C ATOM 0 H VAL A 35 -2.145 -6.954 0.305 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.085 -4.390 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.035 -6.623 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.464 -7.133 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.154 -7.702 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.796 -6.234 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.164 -5.140 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.364 -4.130 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.692 -4.216 -2.317 1.00 0.00 H new ATOM 549 N GLN A 36 -5.401 -6.424 0.461 1.00 0.00 N ATOM 550 CA GLN A 36 -6.776 -6.415 0.932 1.00 0.00 C ATOM 551 C GLN A 36 -6.996 -5.185 1.815 1.00 0.00 C ATOM 552 O GLN A 36 -7.865 -4.363 1.535 1.00 0.00 O ATOM 553 CB GLN A 36 -7.156 -7.741 1.628 1.00 0.00 C ATOM 554 CG GLN A 36 -6.329 -8.138 2.863 1.00 0.00 C ATOM 555 CD GLN A 36 -6.753 -9.479 3.442 1.00 0.00 C ATOM 556 OE1 GLN A 36 -6.065 -10.479 3.287 1.00 0.00 O ATOM 557 NE2 GLN A 36 -7.827 -9.529 4.208 1.00 0.00 N ATOM 0 H GLN A 36 -4.875 -7.243 0.766 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.451 -6.342 0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.203 -7.681 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.079 -8.544 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.274 -8.180 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.431 -7.368 3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.400 -8.695 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.083 -10.401 4.671 1.00 0.00 H new ATOM 566 N LEU A 37 -6.223 -5.030 2.891 1.00 0.00 N ATOM 567 CA LEU A 37 -6.461 -4.014 3.904 1.00 0.00 C ATOM 568 C LEU A 37 -6.337 -2.621 3.306 1.00 0.00 C ATOM 569 O LEU A 37 -7.098 -1.741 3.695 1.00 0.00 O ATOM 570 CB LEU A 37 -5.519 -4.207 5.112 1.00 0.00 C ATOM 571 CG LEU A 37 -6.248 -4.452 6.449 1.00 0.00 C ATOM 572 CD1 LEU A 37 -7.132 -3.271 6.862 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.062 -5.753 6.429 1.00 0.00 C ATOM 0 H LEU A 37 -5.408 -5.614 3.081 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.482 -4.124 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.858 -5.050 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.888 -3.324 5.211 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.466 -4.553 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.621 -3.497 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.517 -2.378 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.888 -3.097 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.559 -5.886 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.810 -5.702 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.396 -6.596 6.245 1.00 0.00 H new ATOM 585 N HIS A 38 -5.471 -2.415 2.304 1.00 0.00 N ATOM 586 CA HIS A 38 -5.393 -1.127 1.624 1.00 0.00 C ATOM 587 C HIS A 38 -6.758 -0.638 1.122 1.00 0.00 C ATOM 588 O HIS A 38 -6.945 0.571 1.048 1.00 0.00 O ATOM 589 CB HIS A 38 -4.356 -1.148 0.506 1.00 0.00 C ATOM 590 CG HIS A 38 -4.908 -1.030 -0.905 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.196 -2.069 -1.762 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.321 0.125 -1.511 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.759 -1.552 -2.865 1.00 0.00 C ATOM 594 NE2 HIS A 38 -5.897 -0.220 -2.718 1.00 0.00 N ATOM 0 H HIS A 38 -4.823 -3.120 1.953 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.063 -0.402 2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.653 -0.331 0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.789 -2.076 0.578 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.013 -3.057 -1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.216 1.125 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.056 -2.117 -3.736 1.00 0.00 H new ATOM 603 N ASN A 39 -7.675 -1.535 0.723 1.00 0.00 N ATOM 604 CA ASN A 39 -8.989 -1.158 0.184 1.00 0.00 C ATOM 605 C ASN A 39 -9.832 -0.503 1.265 1.00 0.00 C ATOM 606 O ASN A 39 -10.608 0.408 0.992 1.00 0.00 O ATOM 607 CB ASN A 39 -9.774 -2.378 -0.339 1.00 0.00 C ATOM 608 CG ASN A 39 -8.994 -3.206 -1.331 1.00 0.00 C ATOM 609 OD1 ASN A 39 -8.726 -4.384 -1.147 1.00 0.00 O ATOM 610 ND2 ASN A 39 -8.557 -2.608 -2.411 1.00 0.00 N ATOM 0 H ASN A 39 -7.524 -2.543 0.766 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.800 -0.470 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.060 -3.007 0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.696 -2.035 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.998 -3.125 -3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.775 -1.625 -2.574 1.00 0.00 H new ATOM 617 N ASP A 40 -9.687 -0.984 2.492 1.00 0.00 N ATOM 618 CA ASP A 40 -10.413 -0.537 3.652 1.00 0.00 C ATOM 619 C ASP A 40 -9.752 0.746 4.164 1.00 0.00 C ATOM 620 O ASP A 40 -10.443 1.722 4.445 1.00 0.00 O ATOM 621 CB ASP A 40 -10.447 -1.726 4.642 1.00 0.00 C ATOM 622 CG ASP A 40 -11.647 -2.658 4.374 1.00 0.00 C ATOM 623 OD1 ASP A 40 -12.324 -2.512 3.325 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.948 -3.560 5.190 1.00 0.00 O ATOM 0 H ASP A 40 -9.027 -1.731 2.706 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.451 -0.263 3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.520 -2.294 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.501 -1.348 5.663 1.00 0.00 H new ATOM 629 N ILE A 41 -8.418 0.799 4.179 1.00 0.00 N ATOM 630 CA ILE A 41 -7.583 1.929 4.551 1.00 0.00 C ATOM 631 C ILE A 41 -7.988 3.243 3.858 1.00 0.00 C ATOM 632 O ILE A 41 -7.722 4.281 4.443 1.00 0.00 O ATOM 633 CB ILE A 41 -6.094 1.536 4.326 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.613 0.447 5.319 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.138 2.728 4.370 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.118 0.942 6.681 1.00 0.00 C ATOM 0 H ILE A 41 -7.858 -0.010 3.910 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.731 2.149 5.608 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.068 1.127 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.434 -0.250 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.808 -0.116 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.117 2.382 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.409 3.441 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.205 3.212 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.809 0.090 7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.271 1.613 6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.922 1.476 7.188 1.00 0.00 H new ATOM 648 N LEU A 42 -8.654 3.277 2.690 1.00 0.00 N ATOM 649 CA LEU A 42 -8.990 4.560 2.052 1.00 0.00 C ATOM 650 C LEU A 42 -9.839 5.472 2.934 1.00 0.00 C ATOM 651 O LEU A 42 -9.709 6.693 2.850 1.00 0.00 O ATOM 652 CB LEU A 42 -9.717 4.388 0.710 1.00 0.00 C ATOM 653 CG LEU A 42 -8.889 3.997 -0.526 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.439 4.490 -0.502 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.930 2.491 -0.768 1.00 0.00 C ATOM 0 H LEU A 42 -8.964 2.450 2.179 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.020 5.028 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.489 3.631 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.226 5.325 0.486 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.369 4.514 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.930 4.169 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.426 5.578 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.928 4.074 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.335 2.248 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.523 1.972 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.961 2.176 -0.928 1.00 0.00 H new ATOM 667 N LEU A 43 -10.690 4.908 3.786 1.00 0.00 N ATOM 668 CA LEU A 43 -11.472 5.643 4.763 1.00 0.00 C ATOM 669 C LEU A 43 -10.900 5.376 6.141 1.00 0.00 C ATOM 670 O LEU A 43 -11.617 4.899 7.020 1.00 0.00 O ATOM 671 CB LEU A 43 -12.967 5.331 4.582 1.00 0.00 C ATOM 672 CG LEU A 43 -13.528 5.878 3.264 1.00 0.00 C ATOM 673 CD1 LEU A 43 -15.032 5.618 3.194 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.192 7.358 3.143 1.00 0.00 C ATOM 0 H LEU A 43 -10.856 3.902 3.813 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.404 6.721 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.116 4.252 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.527 5.756 5.415 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.070 5.365 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.425 6.009 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.219 4.545 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.526 6.114 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.591 7.746 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.634 7.901 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.110 7.488 3.158 1.00 0.00 H new ATOM 686 N ALA A 44 -9.596 5.627 6.308 1.00 0.00 N ATOM 687 CA ALA A 44 -8.945 5.423 7.594 1.00 0.00 C ATOM 688 C ALA A 44 -9.009 6.683 8.459 1.00 0.00 C ATOM 689 O ALA A 44 -9.193 6.572 9.673 1.00 0.00 O ATOM 690 CB ALA A 44 -7.490 5.009 7.371 1.00 0.00 C ATOM 0 H ALA A 44 -8.980 5.969 5.570 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.474 4.631 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.003 4.857 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.459 4.082 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.969 5.793 6.821 1.00 0.00 H new ATOM 696 N LYS A 45 -8.810 7.867 7.865 1.00 0.00 N ATOM 697 CA LYS A 45 -8.508 9.088 8.610 1.00 0.00 C ATOM 698 C LYS A 45 -8.976 10.292 7.816 1.00 0.00 C ATOM 699 O LYS A 45 -9.988 10.907 8.141 1.00 0.00 O ATOM 700 CB LYS A 45 -7.001 9.096 8.952 1.00 0.00 C ATOM 701 CG LYS A 45 -6.587 10.175 9.960 1.00 0.00 C ATOM 702 CD LYS A 45 -6.523 11.595 9.385 1.00 0.00 C ATOM 703 CE LYS A 45 -5.747 12.510 10.332 1.00 0.00 C ATOM 704 NZ LYS A 45 -6.635 13.163 11.307 1.00 0.00 N ATOM 0 H LYS A 45 -8.855 8.001 6.855 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.045 9.130 9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.726 8.119 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.433 9.237 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.291 10.166 10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.609 9.917 10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.042 11.578 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.531 11.982 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.991 11.930 10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.220 13.269 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.073 13.776 11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.341 13.737 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.119 12.439 11.875 1.00 0.00 H new ATOM 718 N ASP A 46 -8.243 10.618 6.768 1.00 0.00 N ATOM 719 CA ASP A 46 -8.559 11.624 5.765 1.00 0.00 C ATOM 720 C ASP A 46 -7.882 11.140 4.493 1.00 0.00 C ATOM 721 O ASP A 46 -6.957 10.329 4.577 1.00 0.00 O ATOM 722 CB ASP A 46 -8.034 13.028 6.140 1.00 0.00 C ATOM 723 CG ASP A 46 -8.800 14.151 5.425 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.612 13.872 4.515 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.703 15.336 5.819 1.00 0.00 O ATOM 0 H ASP A 46 -7.352 10.158 6.580 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.639 11.733 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.114 13.167 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.976 13.096 5.888 1.00 0.00 H new ATOM 730 N THR A 47 -8.299 11.639 3.335 1.00 0.00 N ATOM 731 CA THR A 47 -7.932 11.125 2.019 1.00 0.00 C ATOM 732 C THR A 47 -6.412 11.056 1.814 1.00 0.00 C ATOM 733 O THR A 47 -5.941 10.160 1.113 1.00 0.00 O ATOM 734 CB THR A 47 -8.609 11.995 0.947 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.926 12.335 1.358 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.703 11.276 -0.397 1.00 0.00 C ATOM 0 H THR A 47 -8.925 12.443 3.284 1.00 0.00 H new ATOM 0 HA THR A 47 -8.283 10.097 1.936 1.00 0.00 H new ATOM 0 HB THR A 47 -7.995 12.888 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.350 12.890 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.188 11.927 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.701 11.024 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.287 10.363 -0.281 1.00 0.00 H new ATOM 744 N THR A 48 -5.661 11.953 2.456 1.00 0.00 N ATOM 745 CA THR A 48 -4.212 11.898 2.516 1.00 0.00 C ATOM 746 C THR A 48 -3.796 10.687 3.360 1.00 0.00 C ATOM 747 O THR A 48 -3.399 9.665 2.806 1.00 0.00 O ATOM 748 CB THR A 48 -3.665 13.235 3.055 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.285 14.323 2.383 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.146 13.345 2.954 1.00 0.00 C ATOM 0 H THR A 48 -6.057 12.749 2.955 1.00 0.00 H new ATOM 0 HA THR A 48 -3.782 11.765 1.524 1.00 0.00 H new ATOM 0 HB THR A 48 -3.909 13.270 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.932 15.168 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.824 14.308 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.684 12.543 3.530 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.844 13.262 1.910 1.00 0.00 H new ATOM 758 N GLU A 49 -3.890 10.797 4.689 1.00 0.00 N ATOM 759 CA GLU A 49 -3.225 9.914 5.649 1.00 0.00 C ATOM 760 C GLU A 49 -3.727 8.464 5.564 1.00 0.00 C ATOM 761 O GLU A 49 -3.009 7.534 5.925 1.00 0.00 O ATOM 762 CB GLU A 49 -3.400 10.507 7.055 1.00 0.00 C ATOM 763 CG GLU A 49 -2.546 11.778 7.225 1.00 0.00 C ATOM 764 CD GLU A 49 -2.731 12.506 8.561 1.00 0.00 C ATOM 765 OE1 GLU A 49 -2.805 11.868 9.637 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.795 13.758 8.541 1.00 0.00 O ATOM 0 H GLU A 49 -4.447 11.524 5.138 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.164 9.860 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.450 10.744 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.114 9.769 7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.495 11.509 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.783 12.469 6.416 1.00 0.00 H new ATOM 773 N ALA A 50 -4.946 8.250 5.068 1.00 0.00 N ATOM 774 CA ALA A 50 -5.486 6.980 4.637 1.00 0.00 C ATOM 775 C ALA A 50 -4.651 6.368 3.516 1.00 0.00 C ATOM 776 O ALA A 50 -3.909 5.415 3.741 1.00 0.00 O ATOM 777 CB ALA A 50 -6.919 7.243 4.175 1.00 0.00 C ATOM 0 H ALA A 50 -5.616 9.011 4.954 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.467 6.260 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.370 6.309 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.500 7.649 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.911 7.959 3.353 1.00 0.00 H new ATOM 783 N PHE A 51 -4.798 6.892 2.296 1.00 0.00 N ATOM 784 CA PHE A 51 -4.090 6.385 1.120 1.00 0.00 C ATOM 785 C PHE A 51 -2.591 6.263 1.396 1.00 0.00 C ATOM 786 O PHE A 51 -1.972 5.280 1.002 1.00 0.00 O ATOM 787 CB PHE A 51 -4.352 7.244 -0.133 1.00 0.00 C ATOM 788 CG PHE A 51 -3.081 7.721 -0.841 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.403 6.838 -1.700 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.455 8.934 -0.490 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.121 7.136 -2.180 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.176 9.250 -0.997 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.507 8.349 -1.846 1.00 0.00 C ATOM 0 H PHE A 51 -5.413 7.681 2.097 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.484 5.390 0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.952 6.667 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.944 8.114 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.879 5.914 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.957 9.626 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.604 6.427 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.709 10.187 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.471 8.591 -2.236 1.00 0.00 H new ATOM 803 N GLU A 52 -2.015 7.247 2.074 1.00 0.00 N ATOM 804 CA GLU A 52 -0.626 7.269 2.458 1.00 0.00 C ATOM 805 C GLU A 52 -0.256 5.984 3.187 1.00 0.00 C ATOM 806 O GLU A 52 0.633 5.247 2.754 1.00 0.00 O ATOM 807 CB GLU A 52 -0.415 8.504 3.334 1.00 0.00 C ATOM 808 CG GLU A 52 -0.134 9.739 2.468 1.00 0.00 C ATOM 809 CD GLU A 52 0.514 10.890 3.237 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.761 10.756 4.454 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.797 11.911 2.564 1.00 0.00 O ATOM 0 H GLU A 52 -2.527 8.076 2.378 1.00 0.00 H new ATOM 0 HA GLU A 52 0.023 7.326 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.299 8.677 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.418 8.334 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.517 9.453 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.070 10.087 2.031 1.00 0.00 H new ATOM 818 N LYS A 53 -0.998 5.652 4.237 1.00 0.00 N ATOM 819 CA LYS A 53 -0.707 4.470 5.017 1.00 0.00 C ATOM 820 C LYS A 53 -1.030 3.213 4.205 1.00 0.00 C ATOM 821 O LYS A 53 -0.440 2.166 4.455 1.00 0.00 O ATOM 822 CB LYS A 53 -1.437 4.611 6.355 1.00 0.00 C ATOM 823 CG LYS A 53 -0.810 3.817 7.506 1.00 0.00 C ATOM 824 CD LYS A 53 -1.234 2.342 7.534 1.00 0.00 C ATOM 825 CE LYS A 53 -1.503 1.809 8.947 1.00 0.00 C ATOM 826 NZ LYS A 53 -2.498 2.613 9.687 1.00 0.00 N ATOM 0 H LYS A 53 -1.803 6.188 4.562 1.00 0.00 H new ATOM 0 HA LYS A 53 0.352 4.364 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.465 5.665 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.470 4.287 6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.276 3.873 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.085 4.284 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.133 2.219 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.454 1.739 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.853 0.779 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.568 1.792 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.951 2.022 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.024 3.419 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.220 2.965 9.027 1.00 0.00 H new ATOM 840 N MET A 54 -1.891 3.288 3.178 1.00 0.00 N ATOM 841 CA MET A 54 -2.205 2.168 2.286 1.00 0.00 C ATOM 842 C MET A 54 -0.934 1.764 1.511 1.00 0.00 C ATOM 843 O MET A 54 -0.802 0.611 1.103 1.00 0.00 O ATOM 844 CB MET A 54 -3.388 2.490 1.337 1.00 0.00 C ATOM 845 CG MET A 54 -3.004 2.698 -0.136 1.00 0.00 C ATOM 846 SD MET A 54 -4.185 3.480 -1.263 1.00 0.00 S ATOM 847 CE MET A 54 -3.160 3.487 -2.763 1.00 0.00 C ATOM 0 H MET A 54 -2.395 4.143 2.943 1.00 0.00 H new ATOM 0 HA MET A 54 -2.533 1.322 2.889 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.112 1.678 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.888 3.390 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.091 3.294 -0.155 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.755 1.721 -0.550 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.503 4.274 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.120 3.669 -2.492 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.241 2.522 -3.264 1.00 0.00 H new ATOM 857 N VAL A 55 -0.033 2.714 1.254 1.00 0.00 N ATOM 858 CA VAL A 55 1.260 2.514 0.611 1.00 0.00 C ATOM 859 C VAL A 55 2.273 2.040 1.663 1.00 0.00 C ATOM 860 O VAL A 55 3.136 1.215 1.342 1.00 0.00 O ATOM 861 CB VAL A 55 1.650 3.842 -0.085 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.019 3.801 -0.748 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.643 4.205 -1.193 1.00 0.00 C ATOM 0 H VAL A 55 -0.196 3.690 1.502 1.00 0.00 H new ATOM 0 HA VAL A 55 1.232 1.739 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 55 1.656 4.580 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.226 4.764 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.781 3.591 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.032 3.019 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.942 5.141 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.624 3.413 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.350 4.318 -0.759 1.00 0.00 H new ATOM 873 N SER A 56 2.138 2.499 2.913 1.00 0.00 N ATOM 874 CA SER A 56 2.985 2.118 4.033 1.00 0.00 C ATOM 875 C SER A 56 3.061 0.611 4.179 1.00 0.00 C ATOM 876 O SER A 56 4.106 0.027 3.887 1.00 0.00 O ATOM 877 CB SER A 56 2.537 2.815 5.326 1.00 0.00 C ATOM 878 OG SER A 56 3.423 2.549 6.388 1.00 0.00 O ATOM 0 H SER A 56 1.412 3.166 3.173 1.00 0.00 H new ATOM 0 HA SER A 56 3.999 2.461 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.479 3.891 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.535 2.479 5.594 1.00 0.00 H new ATOM 0 HG SER A 56 3.112 3.008 7.196 1.00 0.00 H new ATOM 884 N LEU A 57 1.938 -0.016 4.548 1.00 0.00 N ATOM 885 CA LEU A 57 1.785 -1.455 4.746 1.00 0.00 C ATOM 886 C LEU A 57 2.615 -2.258 3.763 1.00 0.00 C ATOM 887 O LEU A 57 3.498 -3.004 4.183 1.00 0.00 O ATOM 888 CB LEU A 57 0.323 -1.951 4.713 1.00 0.00 C ATOM 889 CG LEU A 57 -0.697 -1.073 3.953 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.463 -1.891 2.908 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.708 -0.509 4.952 1.00 0.00 C ATOM 0 H LEU A 57 1.072 0.494 4.724 1.00 0.00 H new ATOM 0 HA LEU A 57 2.155 -1.624 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.312 -2.946 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.022 -2.058 5.741 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.152 -0.275 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.173 -1.246 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.761 -2.310 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.001 -2.700 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.432 0.112 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.226 -1.330 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.187 0.093 5.696 1.00 0.00 H new ATOM 903 N LEU A 58 2.334 -2.105 2.466 1.00 0.00 N ATOM 904 CA LEU A 58 2.985 -2.908 1.434 1.00 0.00 C ATOM 905 C LEU A 58 4.497 -2.729 1.380 1.00 0.00 C ATOM 906 O LEU A 58 5.194 -3.659 0.982 1.00 0.00 O ATOM 907 CB LEU A 58 2.387 -2.652 0.046 1.00 0.00 C ATOM 908 CG LEU A 58 1.544 -3.835 -0.432 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.294 -4.069 0.415 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.165 -3.590 -1.888 1.00 0.00 C ATOM 0 H LEU A 58 1.658 -1.430 2.108 1.00 0.00 H new ATOM 0 HA LEU A 58 2.791 -3.941 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.770 -1.754 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.190 -2.465 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 58 2.142 -4.741 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.258 -4.922 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.585 -4.270 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.339 -3.182 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.562 -4.422 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.592 -2.666 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.070 -3.507 -2.490 1.00 0.00 H new ATOM 922 N SER A 59 5.010 -1.563 1.740 1.00 0.00 N ATOM 923 CA SER A 59 6.431 -1.269 1.688 1.00 0.00 C ATOM 924 C SER A 59 7.185 -2.019 2.794 1.00 0.00 C ATOM 925 O SER A 59 8.269 -2.557 2.570 1.00 0.00 O ATOM 926 CB SER A 59 6.591 0.252 1.727 1.00 0.00 C ATOM 927 OG SER A 59 5.826 0.841 0.681 1.00 0.00 O ATOM 0 H SER A 59 4.444 -0.786 2.080 1.00 0.00 H new ATOM 0 HA SER A 59 6.883 -1.627 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.263 0.637 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.642 0.520 1.618 1.00 0.00 H new ATOM 0 HG SER A 59 4.900 0.958 0.979 1.00 0.00 H new ATOM 933 N VAL A 60 6.556 -2.179 3.956 1.00 0.00 N ATOM 934 CA VAL A 60 7.065 -2.993 5.064 1.00 0.00 C ATOM 935 C VAL A 60 6.933 -4.478 4.707 1.00 0.00 C ATOM 936 O VAL A 60 7.874 -5.256 4.820 1.00 0.00 O ATOM 937 CB VAL A 60 6.318 -2.702 6.390 1.00 0.00 C ATOM 938 CG1 VAL A 60 7.264 -2.874 7.583 1.00 0.00 C ATOM 939 CG2 VAL A 60 5.677 -1.315 6.459 1.00 0.00 C ATOM 0 H VAL A 60 5.659 -1.738 4.161 1.00 0.00 H new ATOM 0 HA VAL A 60 8.113 -2.735 5.216 1.00 0.00 H new ATOM 0 HB VAL A 60 5.505 -3.427 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.725 -2.666 8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.640 -3.897 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.100 -2.182 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.175 -1.193 7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.448 -0.552 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.950 -1.210 5.654 1.00 0.00 H new ATOM 949 N LEU A 61 5.755 -4.873 4.225 1.00 0.00 N ATOM 950 CA LEU A 61 5.353 -6.231 3.858 1.00 0.00 C ATOM 951 C LEU A 61 6.247 -6.831 2.770 1.00 0.00 C ATOM 952 O LEU A 61 6.440 -8.042 2.718 1.00 0.00 O ATOM 953 CB LEU A 61 3.870 -6.116 3.461 1.00 0.00 C ATOM 954 CG LEU A 61 3.215 -7.061 2.442 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.773 -6.955 1.016 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.164 -8.495 2.935 1.00 0.00 C ATOM 0 H LEU A 61 5.001 -4.203 4.069 1.00 0.00 H new ATOM 0 HA LEU A 61 5.473 -6.933 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.293 -6.201 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.725 -5.103 3.086 1.00 0.00 H new ATOM 0 HG LEU A 61 2.187 -6.706 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.251 -7.659 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.628 -5.941 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.837 -7.190 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.692 -9.123 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.177 -8.852 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.586 -8.542 3.858 1.00 0.00 H new ATOM 968 N LEU A 62 6.845 -6.005 1.916 1.00 0.00 N ATOM 969 CA LEU A 62 7.712 -6.432 0.837 1.00 0.00 C ATOM 970 C LEU A 62 8.947 -7.133 1.411 1.00 0.00 C ATOM 971 O LEU A 62 9.539 -7.961 0.730 1.00 0.00 O ATOM 972 CB LEU A 62 8.049 -5.147 0.072 1.00 0.00 C ATOM 973 CG LEU A 62 8.829 -5.233 -1.244 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.207 -6.184 -2.260 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.810 -3.810 -1.817 1.00 0.00 C ATOM 0 H LEU A 62 6.732 -4.992 1.962 1.00 0.00 H new ATOM 0 HA LEU A 62 7.251 -7.159 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.109 -4.637 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.616 -4.505 0.746 1.00 0.00 H new ATOM 0 HG LEU A 62 9.829 -5.620 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.812 -6.194 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.166 -7.189 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.198 -5.850 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.351 -3.791 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.779 -3.498 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.287 -3.128 -1.113 1.00 0.00 H new ATOM 987 N SER A 63 9.290 -6.875 2.679 1.00 0.00 N ATOM 988 CA SER A 63 10.343 -7.568 3.397 1.00 0.00 C ATOM 989 C SER A 63 10.078 -9.073 3.418 1.00 0.00 C ATOM 990 O SER A 63 10.837 -9.826 2.812 1.00 0.00 O ATOM 991 CB SER A 63 10.514 -6.969 4.789 1.00 0.00 C ATOM 992 OG SER A 63 10.768 -5.579 4.700 1.00 0.00 O ATOM 0 H SER A 63 8.826 -6.160 3.239 1.00 0.00 H new ATOM 0 HA SER A 63 11.291 -7.430 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.615 -7.144 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.337 -7.463 5.306 1.00 0.00 H new ATOM 0 HG SER A 63 9.919 -5.090 4.712 1.00 0.00 H new ATOM 998 N MET A 64 9.013 -9.542 4.070 1.00 0.00 N ATOM 999 CA MET A 64 8.659 -10.964 4.069 1.00 0.00 C ATOM 1000 C MET A 64 8.437 -11.469 2.642 1.00 0.00 C ATOM 1001 O MET A 64 8.698 -12.634 2.351 1.00 0.00 O ATOM 1002 CB MET A 64 7.422 -11.247 4.937 1.00 0.00 C ATOM 1003 CG MET A 64 6.196 -10.441 4.506 1.00 0.00 C ATOM 1004 SD MET A 64 4.610 -10.936 5.223 1.00 0.00 S ATOM 1005 CE MET A 64 4.939 -10.531 6.957 1.00 0.00 C ATOM 0 H MET A 64 8.377 -8.955 4.609 1.00 0.00 H new ATOM 0 HA MET A 64 9.499 -11.505 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.187 -12.310 4.890 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.654 -11.018 5.977 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.371 -9.394 4.755 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.113 -10.501 3.421 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.040 -10.704 7.548 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.746 -11.161 7.331 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.229 -9.483 7.037 1.00 0.00 H new ATOM 1015 N GLN A 65 7.951 -10.595 1.756 1.00 0.00 N ATOM 1016 CA GLN A 65 7.641 -10.942 0.386 1.00 0.00 C ATOM 1017 C GLN A 65 8.904 -11.343 -0.393 1.00 0.00 C ATOM 1018 O GLN A 65 8.793 -12.060 -1.388 1.00 0.00 O ATOM 1019 CB GLN A 65 6.919 -9.763 -0.284 1.00 0.00 C ATOM 1020 CG GLN A 65 6.010 -10.135 -1.459 1.00 0.00 C ATOM 1021 CD GLN A 65 6.686 -10.088 -2.829 1.00 0.00 C ATOM 1022 OE1 GLN A 65 7.132 -9.023 -3.229 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.699 -11.148 -3.623 1.00 0.00 N ATOM 0 H GLN A 65 7.763 -9.618 1.983 1.00 0.00 H new ATOM 0 HA GLN A 65 6.982 -11.811 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.321 -9.250 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.667 -9.052 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.620 -11.140 -1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.155 -9.459 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.327 -12.038 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.081 -11.074 -4.566 1.00 0.00 H new ATOM 1032 N GLY A 66 10.084 -10.888 0.047 1.00 0.00 N ATOM 1033 CA GLY A 66 11.353 -11.156 -0.609 1.00 0.00 C ATOM 1034 C GLY A 66 12.412 -10.062 -0.440 1.00 0.00 C ATOM 1035 O GLY A 66 13.373 -10.068 -1.211 1.00 0.00 O ATOM 0 H GLY A 66 10.176 -10.314 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.755 -12.092 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.171 -11.303 -1.674 1.00 0.00 H new ATOM 1039 N ALA A 67 12.271 -9.103 0.485 1.00 0.00 N ATOM 1040 CA ALA A 67 13.171 -7.955 0.593 1.00 0.00 C ATOM 1041 C ALA A 67 13.932 -7.936 1.925 1.00 0.00 C ATOM 1042 O ALA A 67 13.432 -8.328 2.984 1.00 0.00 O ATOM 1043 CB ALA A 67 12.400 -6.651 0.329 1.00 0.00 C ATOM 0 H ALA A 67 11.525 -9.105 1.181 1.00 0.00 H new ATOM 0 HA ALA A 67 13.938 -8.048 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.080 -5.803 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.973 -6.677 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.599 -6.547 1.061 1.00 0.00 H new ATOM 1049 N VAL A 68 15.151 -7.409 1.880 1.00 0.00 N ATOM 1050 CA VAL A 68 16.069 -7.287 3.012 1.00 0.00 C ATOM 1051 C VAL A 68 16.390 -5.807 3.219 1.00 0.00 C ATOM 1052 O VAL A 68 16.300 -5.290 4.338 1.00 0.00 O ATOM 1053 CB VAL A 68 17.286 -8.220 2.791 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.909 -8.116 1.392 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.389 -8.038 3.839 1.00 0.00 C ATOM 0 H VAL A 68 15.546 -7.038 1.016 1.00 0.00 H new ATOM 0 HA VAL A 68 15.628 -7.626 3.949 1.00 0.00 H new ATOM 0 HB VAL A 68 16.856 -9.216 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.754 -8.800 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.163 -8.378 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.252 -7.096 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.211 -8.721 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.754 -7.011 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.988 -8.252 4.830 1.00 0.00 H new ATOM 1065 N ASP A 69 16.653 -5.100 2.123 1.00 0.00 N ATOM 1066 CA ASP A 69 16.830 -3.664 2.045 1.00 0.00 C ATOM 1067 C ASP A 69 15.738 -3.230 1.077 1.00 0.00 C ATOM 1068 O ASP A 69 15.945 -3.201 -0.139 1.00 0.00 O ATOM 1069 CB ASP A 69 18.231 -3.279 1.529 1.00 0.00 C ATOM 1070 CG ASP A 69 19.389 -3.682 2.435 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.800 -4.863 2.409 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.920 -2.809 3.159 1.00 0.00 O ATOM 0 H ASP A 69 16.753 -5.548 1.212 1.00 0.00 H new ATOM 0 HA ASP A 69 16.756 -3.179 3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.379 -3.737 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.263 -2.199 1.383 1.00 0.00 H new ATOM 1077 N ILE A 70 14.554 -2.905 1.591 1.00 0.00 N ATOM 1078 CA ILE A 70 13.615 -2.021 0.909 1.00 0.00 C ATOM 1079 C ILE A 70 12.932 -1.072 1.892 1.00 0.00 C ATOM 1080 O ILE A 70 11.972 -0.404 1.513 1.00 0.00 O ATOM 1081 CB ILE A 70 12.631 -2.819 0.022 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.054 -2.022 -1.165 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.486 -3.447 0.838 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.137 -1.437 -2.075 1.00 0.00 C ATOM 0 H ILE A 70 14.220 -3.247 2.492 1.00 0.00 H new ATOM 0 HA ILE A 70 14.175 -1.384 0.225 1.00 0.00 H new ATOM 0 HB ILE A 70 13.244 -3.614 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.406 -2.673 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.431 -1.213 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.822 -3.996 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.900 -4.129 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.924 -2.660 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.668 -0.888 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.770 -0.762 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.745 -2.245 -2.483 1.00 0.00 H new ATOM 1096 N ASN A 71 13.387 -0.984 3.153 1.00 0.00 N ATOM 1097 CA ASN A 71 12.894 0.099 3.988 1.00 0.00 C ATOM 1098 C ASN A 71 13.673 1.369 3.665 1.00 0.00 C ATOM 1099 O ASN A 71 13.197 2.172 2.875 1.00 0.00 O ATOM 1100 CB ASN A 71 12.792 -0.234 5.478 1.00 0.00 C ATOM 1101 CG ASN A 71 11.952 0.846 6.164 1.00 0.00 C ATOM 1102 OD1 ASN A 71 11.133 1.516 5.542 1.00 0.00 O ATOM 1103 ND2 ASN A 71 12.113 1.031 7.454 1.00 0.00 N ATOM 0 H ASN A 71 14.058 -1.616 3.589 1.00 0.00 H new ATOM 0 HA ASN A 71 11.847 0.272 3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.334 -1.214 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.785 -0.281 5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.557 1.733 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.794 0.473 7.968 1.00 0.00 H new ATOM 1110 N ARG A 72 14.885 1.536 4.205 1.00 0.00 N ATOM 1111 CA ARG A 72 15.600 2.825 4.264 1.00 0.00 C ATOM 1112 C ARG A 72 15.777 3.500 2.904 1.00 0.00 C ATOM 1113 O ARG A 72 15.193 4.546 2.677 1.00 0.00 O ATOM 1114 CB ARG A 72 16.940 2.648 4.983 1.00 0.00 C ATOM 1115 CG ARG A 72 16.778 2.288 6.469 1.00 0.00 C ATOM 1116 CD ARG A 72 17.105 0.825 6.775 1.00 0.00 C ATOM 1117 NE ARG A 72 16.661 0.445 8.126 1.00 0.00 N ATOM 1118 CZ ARG A 72 16.716 -0.781 8.660 1.00 0.00 C ATOM 1119 NH1 ARG A 72 17.395 -1.758 8.067 1.00 0.00 N ATOM 1120 NH2 ARG A 72 16.090 -1.026 9.801 1.00 0.00 N ATOM 0 H ARG A 72 15.410 0.768 4.622 1.00 0.00 H new ATOM 0 HA ARG A 72 14.970 3.506 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.513 1.866 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.517 3.569 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.427 2.931 7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.753 2.496 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.624 0.182 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.179 0.665 6.685 1.00 0.00 H new ATOM 0 HE ARG A 72 16.275 1.186 8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.885 -1.579 7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.426 -2.686 8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.570 -0.283 10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.128 -1.958 10.214 1.00 0.00 H new ATOM 1134 N LEU A 73 16.480 2.873 1.969 1.00 0.00 N ATOM 1135 CA LEU A 73 16.603 3.232 0.551 1.00 0.00 C ATOM 1136 C LEU A 73 15.274 3.380 -0.216 1.00 0.00 C ATOM 1137 O LEU A 73 15.302 3.543 -1.440 1.00 0.00 O ATOM 1138 CB LEU A 73 17.500 2.207 -0.169 1.00 0.00 C ATOM 1139 CG LEU A 73 16.833 0.830 -0.366 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.655 -0.028 -1.323 1.00 0.00 C ATOM 1141 CD2 LEU A 73 16.665 0.094 0.963 1.00 0.00 C ATOM 0 H LEU A 73 17.021 2.038 2.193 1.00 0.00 H new ATOM 0 HA LEU A 73 17.048 4.227 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.783 2.606 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.419 2.077 0.402 1.00 0.00 H new ATOM 0 HG LEU A 73 15.844 1.004 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.171 -0.996 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.728 0.472 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.655 -0.174 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.192 -0.872 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.643 -0.059 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.040 0.687 1.631 1.00 0.00 H new ATOM 1153 N CYS A 74 14.119 3.196 0.425 1.00 0.00 N ATOM 1154 CA CYS A 74 12.812 3.362 -0.159 1.00 0.00 C ATOM 1155 C CYS A 74 12.096 4.482 0.580 1.00 0.00 C ATOM 1156 O CYS A 74 11.305 5.150 -0.072 1.00 0.00 O ATOM 1157 CB CYS A 74 12.073 2.020 -0.133 1.00 0.00 C ATOM 1158 SG CYS A 74 10.961 1.861 -1.548 1.00 0.00 S ATOM 0 H CYS A 74 14.081 2.916 1.405 1.00 0.00 H new ATOM 0 HA CYS A 74 12.865 3.656 -1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.795 1.204 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.504 1.933 0.792 1.00 0.00 H new ATOM 0 HG CYS A 74 10.353 0.713 -1.496 1.00 0.00 H new ATOM 1164 N GLU A 75 12.394 4.763 1.863 1.00 0.00 N ATOM 1165 CA GLU A 75 11.871 5.865 2.676 1.00 0.00 C ATOM 1166 C GLU A 75 11.906 7.218 1.967 1.00 0.00 C ATOM 1167 O GLU A 75 11.076 8.079 2.255 1.00 0.00 O ATOM 1168 CB GLU A 75 12.600 5.944 4.028 1.00 0.00 C ATOM 1169 CG GLU A 75 12.326 4.709 4.877 1.00 0.00 C ATOM 1170 CD GLU A 75 12.762 4.905 6.325 1.00 0.00 C ATOM 1171 OE1 GLU A 75 13.985 4.891 6.594 1.00 0.00 O ATOM 1172 OE2 GLU A 75 11.900 5.028 7.220 1.00 0.00 O ATOM 0 H GLU A 75 13.050 4.185 2.389 1.00 0.00 H new ATOM 0 HA GLU A 75 10.819 5.637 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.673 6.042 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.279 6.836 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.261 4.477 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.851 3.853 4.453 1.00 0.00 H new ATOM 1179 N GLU A 76 12.746 7.385 0.952 1.00 0.00 N ATOM 1180 CA GLU A 76 12.711 8.532 0.061 1.00 0.00 C ATOM 1181 C GLU A 76 11.375 8.682 -0.708 1.00 0.00 C ATOM 1182 O GLU A 76 11.151 9.702 -1.369 1.00 0.00 O ATOM 1183 CB GLU A 76 13.895 8.416 -0.905 1.00 0.00 C ATOM 1184 CG GLU A 76 14.448 9.793 -1.265 1.00 0.00 C ATOM 1185 CD GLU A 76 15.648 9.691 -2.200 1.00 0.00 C ATOM 1186 OE1 GLU A 76 16.646 9.014 -1.872 1.00 0.00 O ATOM 1187 OE2 GLU A 76 15.620 10.368 -3.256 1.00 0.00 O ATOM 0 H GLU A 76 13.481 6.715 0.724 1.00 0.00 H new ATOM 0 HA GLU A 76 12.789 9.436 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.681 7.812 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.580 7.899 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.666 10.387 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.739 10.318 -0.355 1.00 0.00 H new ATOM 1194 N MET A 77 10.456 7.717 -0.612 1.00 0.00 N ATOM 1195 CA MET A 77 9.140 7.748 -1.228 1.00 0.00 C ATOM 1196 C MET A 77 8.051 7.648 -0.166 1.00 0.00 C ATOM 1197 O MET A 77 6.882 7.684 -0.530 1.00 0.00 O ATOM 1198 CB MET A 77 9.021 6.610 -2.249 1.00 0.00 C ATOM 1199 CG MET A 77 9.671 6.913 -3.604 1.00 0.00 C ATOM 1200 SD MET A 77 11.474 6.733 -3.684 1.00 0.00 S ATOM 1201 CE MET A 77 11.755 7.496 -5.304 1.00 0.00 C ATOM 0 H MET A 77 10.622 6.862 -0.081 1.00 0.00 H new ATOM 0 HA MET A 77 9.010 8.697 -1.748 1.00 0.00 H new ATOM 0 HB2 MET A 77 9.478 5.713 -1.832 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.966 6.387 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.227 6.256 -4.352 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.416 7.934 -3.886 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.820 7.480 -5.534 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.210 6.940 -6.067 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.404 8.528 -5.286 1.00 0.00 H new ATOM 1211 N LEU A 78 8.390 7.501 1.116 1.00 0.00 N ATOM 1212 CA LEU A 78 7.473 7.389 2.231 1.00 0.00 C ATOM 1213 C LEU A 78 7.723 8.595 3.144 1.00 0.00 C ATOM 1214 O LEU A 78 6.933 9.535 3.216 1.00 0.00 O ATOM 1215 CB LEU A 78 7.786 6.065 2.954 1.00 0.00 C ATOM 1216 CG LEU A 78 7.733 4.736 2.173 1.00 0.00 C ATOM 1217 CD1 LEU A 78 6.355 4.468 1.566 1.00 0.00 C ATOM 1218 CD2 LEU A 78 8.812 4.364 1.153 1.00 0.00 C ATOM 0 H LEU A 78 9.366 7.455 1.410 1.00 0.00 H new ATOM 0 HA LEU A 78 6.428 7.384 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.786 6.154 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.092 5.979 3.790 1.00 0.00 H new ATOM 0 HG LEU A 78 7.974 4.074 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.373 3.521 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.610 4.420 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.098 5.272 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.583 3.390 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.840 5.115 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.782 4.322 1.648 1.00 0.00 H new ATOM 1230 N ASP A 79 8.882 8.635 3.790 1.00 0.00 N ATOM 1231 CA ASP A 79 9.244 9.712 4.702 1.00 0.00 C ATOM 1232 C ASP A 79 9.438 11.021 3.946 1.00 0.00 C ATOM 1233 O ASP A 79 9.023 12.087 4.368 1.00 0.00 O ATOM 1234 CB ASP A 79 10.519 9.380 5.472 1.00 0.00 C ATOM 1235 CG ASP A 79 10.533 10.281 6.701 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.684 10.035 7.592 1.00 0.00 O ATOM 1237 OD2 ASP A 79 11.283 11.282 6.726 1.00 0.00 O ATOM 0 H ASP A 79 9.601 7.917 3.695 1.00 0.00 H new ATOM 0 HA ASP A 79 8.424 9.824 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.534 8.329 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.401 9.553 4.855 1.00 0.00 H new ATOM 1242 N ASN A 80 9.974 10.957 2.740 1.00 0.00 N ATOM 1243 CA ASN A 80 10.069 12.118 1.854 1.00 0.00 C ATOM 1244 C ASN A 80 8.830 12.236 0.949 1.00 0.00 C ATOM 1245 O ASN A 80 8.774 13.057 0.031 1.00 0.00 O ATOM 1246 CB ASN A 80 11.357 11.925 1.091 1.00 0.00 C ATOM 1247 CG ASN A 80 11.622 12.934 -0.018 1.00 0.00 C ATOM 1248 OD1 ASN A 80 11.694 14.141 0.202 1.00 0.00 O ATOM 1249 ND2 ASN A 80 11.787 12.458 -1.241 1.00 0.00 N ATOM 0 H ASN A 80 10.358 10.100 2.341 1.00 0.00 H new ATOM 0 HA ASN A 80 10.088 13.062 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.186 11.963 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.354 10.926 0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.976 13.095 -2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.725 11.454 -1.410 1.00 0.00 H new ATOM 1256 N ARG A 81 7.813 11.399 1.166 1.00 0.00 N ATOM 1257 CA ARG A 81 6.444 11.726 0.756 1.00 0.00 C ATOM 1258 C ARG A 81 5.863 12.766 1.702 1.00 0.00 C ATOM 1259 O ARG A 81 5.283 13.751 1.242 1.00 0.00 O ATOM 1260 CB ARG A 81 5.497 10.509 0.761 1.00 0.00 C ATOM 1261 CG ARG A 81 4.491 10.615 -0.390 1.00 0.00 C ATOM 1262 CD ARG A 81 5.131 9.994 -1.628 1.00 0.00 C ATOM 1263 NE ARG A 81 4.425 10.351 -2.861 1.00 0.00 N ATOM 1264 CZ ARG A 81 3.540 9.615 -3.541 1.00 0.00 C ATOM 1265 NH1 ARG A 81 3.257 8.361 -3.199 1.00 0.00 N ATOM 1266 NH2 ARG A 81 2.939 10.158 -4.588 1.00 0.00 N ATOM 0 H ARG A 81 7.910 10.492 1.622 1.00 0.00 H new ATOM 0 HA ARG A 81 6.514 12.097 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.074 9.590 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.968 10.455 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.566 10.097 -0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.232 11.657 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.169 10.320 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.144 8.909 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 81 4.634 11.272 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.720 7.934 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.577 7.826 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.155 11.117 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.260 9.617 -5.123 1.00 0.00 H new ATOM 1280 N ALA A 82 5.895 12.454 3.000 1.00 0.00 N ATOM 1281 CA ALA A 82 4.960 13.002 3.971 1.00 0.00 C ATOM 1282 C ALA A 82 5.540 13.132 5.380 1.00 0.00 C ATOM 1283 O ALA A 82 4.862 13.641 6.273 1.00 0.00 O ATOM 1284 CB ALA A 82 3.741 12.080 4.007 1.00 0.00 C ATOM 0 H ALA A 82 6.576 11.810 3.403 1.00 0.00 H new ATOM 0 HA ALA A 82 4.706 14.014 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.017 12.462 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.284 12.042 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.052 11.078 4.302 1.00 0.00 H new ATOM 1290 N THR A 83 6.766 12.667 5.619 1.00 0.00 N ATOM 1291 CA THR A 83 7.375 12.452 6.939 1.00 0.00 C ATOM 1292 C THR A 83 6.477 11.599 7.855 1.00 0.00 C ATOM 1293 O THR A 83 6.461 11.741 9.080 1.00 0.00 O ATOM 1294 CB THR A 83 7.919 13.777 7.516 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.015 14.862 7.399 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.177 14.211 6.759 1.00 0.00 C ATOM 0 H THR A 83 7.398 12.416 4.859 1.00 0.00 H new ATOM 0 HA THR A 83 8.265 11.830 6.842 1.00 0.00 H new ATOM 0 HB THR A 83 8.106 13.565 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.130 14.525 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.549 15.146 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.943 13.441 6.854 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.936 14.355 5.706 1.00 0.00 H new ATOM 1304 N LEU A 84 5.651 10.755 7.230 1.00 0.00 N ATOM 1305 CA LEU A 84 4.475 10.154 7.848 1.00 0.00 C ATOM 1306 C LEU A 84 4.063 8.859 7.164 1.00 0.00 C ATOM 1307 O LEU A 84 3.679 7.937 7.881 1.00 0.00 O ATOM 1308 CB LEU A 84 3.315 11.157 7.738 1.00 0.00 C ATOM 1309 CG LEU A 84 2.171 10.982 8.745 1.00 0.00 C ATOM 1310 CD1 LEU A 84 2.635 11.151 10.199 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.113 12.047 8.431 1.00 0.00 C ATOM 0 H LEU A 84 5.788 10.467 6.261 1.00 0.00 H new ATOM 0 HA LEU A 84 4.715 9.920 8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.720 12.163 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.899 11.091 6.732 1.00 0.00 H new ATOM 0 HG LEU A 84 1.777 9.970 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.786 11.017 10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.398 10.407 10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.051 12.150 10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.282 11.952 9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.555 13.039 8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.748 11.909 7.413 1.00 0.00 H new ATOM 1323 N GLN A 85 4.163 8.831 5.824 1.00 0.00 N ATOM 1324 CA GLN A 85 3.313 8.087 4.892 1.00 0.00 C ATOM 1325 C GLN A 85 2.720 6.840 5.520 1.00 0.00 C ATOM 1326 O GLN A 85 1.505 6.850 5.788 1.00 0.00 O ATOM 1327 CB GLN A 85 4.010 7.794 3.535 1.00 0.00 C ATOM 1328 CG GLN A 85 3.040 8.046 2.374 1.00 0.00 C ATOM 1329 CD GLN A 85 3.245 7.328 1.042 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.131 6.513 0.825 1.00 0.00 O ATOM 1331 NE2 GLN A 85 2.390 7.628 0.073 1.00 0.00 N ATOM 0 H GLN A 85 4.886 9.362 5.338 1.00 0.00 H new ATOM 0 HA GLN A 85 2.476 8.746 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.891 8.427 3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.356 6.761 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.039 7.796 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.048 9.117 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.647 8.306 0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.476 7.181 -0.840 1.00 0.00 H new TER 1340 GLN A 85