USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 707 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 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 SER OG : rot 42:sc= 1.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -2.98 K(o=-3,f=-8.7!) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0328) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.17) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.213 (180deg=-0.632) USER MOD Single : A 32 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.15) USER MOD Single : A 33 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.83) USER MOD Single : A 44 THR OG1 : rot 170:sc= 0.214 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.16) USER MOD Single : A 60 TYR OH : rot 163:sc=0.000574 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 65 SER OG : rot 150:sc= -1.1 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.08) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.352 3.172 5.853 1.00 0.00 N ATOM 2 CA MET A 1 14.155 3.066 6.698 1.00 0.00 C ATOM 3 C MET A 1 13.269 1.966 6.138 1.00 0.00 C ATOM 4 O MET A 1 12.605 2.185 5.122 1.00 0.00 O ATOM 5 CB MET A 1 13.414 4.405 6.792 1.00 0.00 C ATOM 6 CG MET A 1 12.271 4.350 7.808 1.00 0.00 C ATOM 7 SD MET A 1 12.844 4.174 9.515 1.00 0.00 S ATOM 8 CE MET A 1 11.248 4.098 10.358 1.00 0.00 C ATOM 0 H1 MET A 1 15.972 3.921 6.221 1.00 0.00 H new ATOM 0 H2 MET A 1 15.863 2.266 5.859 1.00 0.00 H new ATOM 0 H3 MET A 1 15.070 3.404 4.879 1.00 0.00 H new ATOM 0 HA MET A 1 14.446 2.810 7.717 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.115 5.190 7.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.017 4.671 5.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.674 5.258 7.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.616 3.514 7.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.408 3.989 11.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.691 5.015 10.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.681 3.244 9.987 1.00 0.00 H new ATOM 18 N ALA A 2 13.291 0.773 6.729 1.00 0.00 N ATOM 19 CA ALA A 2 12.374 -0.294 6.351 1.00 0.00 C ATOM 20 C ALA A 2 11.048 -0.051 7.067 1.00 0.00 C ATOM 21 O ALA A 2 11.036 0.448 8.195 1.00 0.00 O ATOM 22 CB ALA A 2 12.973 -1.646 6.735 1.00 0.00 C ATOM 0 H ALA A 2 13.939 0.523 7.476 1.00 0.00 H new ATOM 0 HA ALA A 2 12.206 -0.301 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.285 -2.443 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.922 -1.784 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.140 -1.677 7.812 1.00 0.00 H new ATOM 28 N LEU A 3 9.929 -0.429 6.458 1.00 0.00 N ATOM 29 CA LEU A 3 8.572 -0.110 6.883 1.00 0.00 C ATOM 30 C LEU A 3 7.838 -1.391 6.605 1.00 0.00 C ATOM 31 O LEU A 3 7.901 -1.872 5.479 1.00 0.00 O ATOM 32 CB LEU A 3 8.027 1.089 6.066 1.00 0.00 C ATOM 33 CG LEU A 3 8.739 2.389 6.497 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.812 3.417 5.381 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.065 3.011 7.720 1.00 0.00 C ATOM 0 H LEU A 3 9.946 -0.996 5.610 1.00 0.00 H new ATOM 0 HA LEU A 3 8.478 0.199 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.183 0.915 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.952 1.185 6.219 1.00 0.00 H new ATOM 0 HG LEU A 3 9.759 2.101 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.323 4.310 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.362 3.000 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.803 3.680 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.589 3.925 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.027 3.246 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.097 2.306 8.551 1.00 0.00 H new ATOM 47 N VAL A 4 7.264 -2.010 7.632 1.00 0.00 N ATOM 48 CA VAL A 4 6.578 -3.273 7.430 1.00 0.00 C ATOM 49 C VAL A 4 5.236 -3.287 8.147 1.00 0.00 C ATOM 50 O VAL A 4 4.765 -4.298 8.675 1.00 0.00 O ATOM 51 CB VAL A 4 7.491 -4.389 7.917 1.00 0.00 C ATOM 52 CG1 VAL A 4 8.852 -4.458 7.216 1.00 0.00 C ATOM 53 CG2 VAL A 4 7.635 -4.392 9.442 1.00 0.00 C ATOM 0 H VAL A 4 7.261 -1.664 8.591 1.00 0.00 H new ATOM 0 HA VAL A 4 6.361 -3.418 6.372 1.00 0.00 H new ATOM 0 HB VAL A 4 6.980 -5.307 7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.433 -5.283 7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.704 -4.618 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.389 -3.523 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.295 -5.205 9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.057 -3.442 9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.656 -4.531 9.900 1.00 0.00 H new ATOM 63 N LEU A 5 4.606 -2.134 8.116 1.00 0.00 N ATOM 64 CA LEU A 5 3.334 -1.833 8.703 1.00 0.00 C ATOM 65 C LEU A 5 2.718 -0.811 7.776 1.00 0.00 C ATOM 66 O LEU A 5 3.457 -0.040 7.160 1.00 0.00 O ATOM 67 CB LEU A 5 3.509 -1.362 10.147 1.00 0.00 C ATOM 68 CG LEU A 5 4.473 -0.175 10.375 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.722 1.151 10.456 1.00 0.00 C ATOM 70 CD2 LEU A 5 5.261 -0.386 11.669 1.00 0.00 C ATOM 0 H LEU A 5 5.007 -1.325 7.641 1.00 0.00 H new ATOM 0 HA LEU A 5 2.672 -2.695 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.529 -1.085 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.861 -2.206 10.740 1.00 0.00 H new ATOM 0 HG LEU A 5 5.153 -0.133 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.432 1.962 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.182 1.321 9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.015 1.119 11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.938 0.454 11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.570 -0.454 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.837 -1.308 11.598 1.00 0.00 H new ATOM 82 N VAL A 6 1.402 -0.843 7.618 1.00 0.00 N ATOM 83 CA VAL A 6 0.705 0.166 6.839 1.00 0.00 C ATOM 84 C VAL A 6 -0.748 0.180 7.291 1.00 0.00 C ATOM 85 O VAL A 6 -1.678 -0.148 6.556 1.00 0.00 O ATOM 86 CB VAL A 6 0.922 -0.034 5.326 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.739 -1.498 4.915 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.083 0.910 4.454 1.00 0.00 C ATOM 0 H VAL A 6 0.797 -1.559 8.020 1.00 0.00 H new ATOM 0 HA VAL A 6 1.113 1.160 7.020 1.00 0.00 H new ATOM 0 HB VAL A 6 1.961 0.238 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.900 -1.597 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.459 -2.119 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.272 -1.821 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.288 0.712 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.976 0.746 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.340 1.944 4.685 1.00 0.00 H new ATOM 98 N LYS A 7 -0.951 0.474 8.564 1.00 0.00 N ATOM 99 CA LYS A 7 -2.262 0.435 9.179 1.00 0.00 C ATOM 100 C LYS A 7 -2.472 1.717 9.996 1.00 0.00 C ATOM 101 O LYS A 7 -3.076 1.655 11.068 1.00 0.00 O ATOM 102 CB LYS A 7 -2.412 -0.841 10.024 1.00 0.00 C ATOM 103 CG LYS A 7 -1.307 -1.064 11.063 1.00 0.00 C ATOM 104 CD LYS A 7 -1.867 -1.864 12.243 1.00 0.00 C ATOM 105 CE LYS A 7 -0.740 -2.475 13.074 1.00 0.00 C ATOM 106 NZ LYS A 7 -1.264 -3.494 14.004 1.00 0.00 N ATOM 0 H LYS A 7 -0.204 0.748 9.202 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.040 0.397 8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.372 -0.807 10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.439 -1.701 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.472 -1.599 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.921 -0.106 11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.476 -1.214 12.871 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.521 -2.654 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.001 -2.926 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.231 -1.692 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.480 -3.895 14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.953 -3.055 14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.729 -4.251 13.463 1.00 0.00 H new ATOM 120 N TYR A 8 -2.027 2.883 9.525 1.00 0.00 N ATOM 121 CA TYR A 8 -2.317 4.175 10.154 1.00 0.00 C ATOM 122 C TYR A 8 -2.386 5.287 9.097 1.00 0.00 C ATOM 123 O TYR A 8 -2.111 6.454 9.373 1.00 0.00 O ATOM 124 CB TYR A 8 -1.236 4.465 11.228 1.00 0.00 C ATOM 125 CG TYR A 8 -1.726 4.447 12.665 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.848 5.204 13.051 1.00 0.00 C ATOM 127 CD2 TYR A 8 -1.037 3.689 13.629 1.00 0.00 C ATOM 128 CE1 TYR A 8 -3.300 5.173 14.383 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.482 3.648 14.961 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.618 4.395 15.348 1.00 0.00 C ATOM 131 OH TYR A 8 -3.041 4.361 16.641 1.00 0.00 O ATOM 0 H TYR A 8 -1.449 2.959 8.688 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.291 4.141 10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.438 3.729 11.124 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.797 5.442 11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.364 5.811 12.322 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.157 3.133 13.342 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.170 5.745 14.670 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.957 3.047 15.688 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.454 3.774 17.162 1.00 0.00 H new ATOM 141 N GLY A 9 -2.933 4.962 7.925 1.00 0.00 N ATOM 142 CA GLY A 9 -3.261 5.897 6.854 1.00 0.00 C ATOM 143 C GLY A 9 -2.057 6.394 6.088 1.00 0.00 C ATOM 144 O GLY A 9 -2.037 6.280 4.869 1.00 0.00 O ATOM 0 H GLY A 9 -3.169 3.998 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.947 5.413 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.788 6.751 7.279 1.00 0.00 H new ATOM 148 N THR A 10 -1.067 6.908 6.797 1.00 0.00 N ATOM 149 CA THR A 10 0.085 7.583 6.224 1.00 0.00 C ATOM 150 C THR A 10 1.413 7.024 6.744 1.00 0.00 C ATOM 151 O THR A 10 2.387 7.766 6.916 1.00 0.00 O ATOM 152 CB THR A 10 -0.045 9.095 6.437 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.502 9.422 7.743 1.00 0.00 O ATOM 154 CG2 THR A 10 -1.002 9.683 5.389 1.00 0.00 C ATOM 0 H THR A 10 -1.042 6.866 7.816 1.00 0.00 H new ATOM 0 HA THR A 10 0.098 7.390 5.151 1.00 0.00 H new ATOM 0 HB THR A 10 0.949 9.527 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.568 10.396 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.093 10.758 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.610 9.491 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.983 9.218 5.490 1.00 0.00 H new ATOM 162 N ASP A 11 1.519 5.704 6.923 1.00 0.00 N ATOM 163 CA ASP A 11 2.570 5.135 7.762 1.00 0.00 C ATOM 164 C ASP A 11 3.491 4.132 7.039 1.00 0.00 C ATOM 165 O ASP A 11 4.008 3.213 7.669 1.00 0.00 O ATOM 166 CB ASP A 11 1.891 4.494 8.997 1.00 0.00 C ATOM 167 CG ASP A 11 0.958 3.310 8.680 1.00 0.00 C ATOM 168 OD1 ASP A 11 0.127 3.429 7.745 1.00 0.00 O ATOM 169 OD2 ASP A 11 0.925 2.321 9.448 1.00 0.00 O ATOM 0 H ASP A 11 0.894 5.017 6.501 1.00 0.00 H new ATOM 0 HA ASP A 11 3.241 5.942 8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.666 4.154 9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.317 5.261 9.518 1.00 0.00 H new ATOM 174 N HIS A 12 3.835 4.370 5.766 1.00 0.00 N ATOM 175 CA HIS A 12 4.744 3.588 4.917 1.00 0.00 C ATOM 176 C HIS A 12 4.955 4.335 3.589 1.00 0.00 C ATOM 177 O HIS A 12 4.327 5.374 3.412 1.00 0.00 O ATOM 178 CB HIS A 12 4.164 2.177 4.704 1.00 0.00 C ATOM 179 CG HIS A 12 3.234 2.021 3.525 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.429 2.992 2.975 1.00 0.00 N ATOM 181 CD2 HIS A 12 3.096 0.899 2.754 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.855 2.484 1.880 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.221 1.210 1.710 1.00 0.00 N ATOM 0 H HIS A 12 3.457 5.174 5.266 1.00 0.00 H new ATOM 0 HA HIS A 12 5.716 3.473 5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.992 1.478 4.585 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.628 1.885 5.607 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.294 3.935 3.339 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.576 -0.054 2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.189 3.027 1.225 1.00 0.00 H new ATOM 191 N PRO A 13 5.810 3.909 2.645 1.00 0.00 N ATOM 192 CA PRO A 13 6.001 4.665 1.409 1.00 0.00 C ATOM 193 C PRO A 13 4.819 4.516 0.461 1.00 0.00 C ATOM 194 O PRO A 13 4.144 3.522 0.587 1.00 0.00 O ATOM 195 CB PRO A 13 7.256 4.056 0.816 1.00 0.00 C ATOM 196 CG PRO A 13 7.237 2.593 1.246 1.00 0.00 C ATOM 197 CD PRO A 13 6.519 2.636 2.590 1.00 0.00 C ATOM 0 HA PRO A 13 6.084 5.737 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.261 4.146 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.149 4.562 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.708 1.968 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.244 2.188 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.824 1.802 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.230 2.553 3.412 1.00 0.00 H new ATOM 205 N VAL A 14 4.630 5.431 -0.510 1.00 0.00 N ATOM 206 CA VAL A 14 3.702 5.410 -1.639 1.00 0.00 C ATOM 207 C VAL A 14 3.620 6.826 -2.199 1.00 0.00 C ATOM 208 O VAL A 14 3.850 7.019 -3.379 1.00 0.00 O ATOM 209 CB VAL A 14 2.336 4.792 -1.288 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.141 5.359 -2.060 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.372 3.320 -1.687 1.00 0.00 C ATOM 0 H VAL A 14 5.184 6.287 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 14 4.078 4.745 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 14 2.197 4.998 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.229 4.857 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.055 6.428 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.287 5.197 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.415 2.855 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.560 3.238 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.167 2.814 -1.139 1.00 0.00 H new ATOM 221 N GLU A 15 3.419 7.845 -1.371 1.00 0.00 N ATOM 222 CA GLU A 15 3.250 9.226 -1.863 1.00 0.00 C ATOM 223 C GLU A 15 4.003 10.215 -0.981 1.00 0.00 C ATOM 224 O GLU A 15 3.834 11.423 -1.069 1.00 0.00 O ATOM 225 CB GLU A 15 1.751 9.540 -2.104 1.00 0.00 C ATOM 226 CG GLU A 15 1.308 8.816 -3.388 1.00 0.00 C ATOM 227 CD GLU A 15 -0.054 9.164 -3.985 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.453 10.345 -4.002 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.698 8.212 -4.477 1.00 0.00 O ATOM 0 H GLU A 15 3.368 7.751 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 15 3.714 9.335 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.152 9.209 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.599 10.615 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.063 9.003 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.318 7.745 -3.186 1.00 0.00 H new ATOM 236 N LYS A 16 4.914 9.706 -0.149 1.00 0.00 N ATOM 237 CA LYS A 16 5.748 10.526 0.706 1.00 0.00 C ATOM 238 C LYS A 16 6.907 9.716 1.238 1.00 0.00 C ATOM 239 O LYS A 16 8.036 9.936 0.823 1.00 0.00 O ATOM 240 CB LYS A 16 4.895 11.105 1.837 1.00 0.00 C ATOM 241 CG LYS A 16 5.392 12.484 2.239 1.00 0.00 C ATOM 242 CD LYS A 16 4.957 13.580 1.255 1.00 0.00 C ATOM 243 CE LYS A 16 5.209 14.963 1.851 1.00 0.00 C ATOM 244 NZ LYS A 16 4.199 15.329 2.872 1.00 0.00 N ATOM 0 H LYS A 16 5.088 8.705 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 16 6.166 11.354 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.855 11.168 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.925 10.438 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.018 12.725 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.480 12.469 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.505 13.475 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.899 13.466 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.202 14.987 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.202 15.706 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.340 16.318 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.245 15.218 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.302 14.708 3.700 1.00 0.00 H new ATOM 258 N LEU A 17 6.652 8.695 2.062 1.00 0.00 N ATOM 259 CA LEU A 17 7.731 7.878 2.626 1.00 0.00 C ATOM 260 C LEU A 17 8.558 7.203 1.524 1.00 0.00 C ATOM 261 O LEU A 17 9.724 6.885 1.747 1.00 0.00 O ATOM 262 CB LEU A 17 7.200 6.851 3.648 1.00 0.00 C ATOM 263 CG LEU A 17 7.606 7.064 5.115 1.00 0.00 C ATOM 264 CD1 LEU A 17 9.130 7.068 5.291 1.00 0.00 C ATOM 265 CD2 LEU A 17 6.996 8.337 5.695 1.00 0.00 C ATOM 0 H LEU A 17 5.715 8.416 2.352 1.00 0.00 H new ATOM 0 HA LEU A 17 8.396 8.551 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.111 6.848 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.537 5.861 3.342 1.00 0.00 H new ATOM 0 HG LEU A 17 7.206 6.217 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.374 7.221 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.537 6.113 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.563 7.873 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.308 8.450 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.335 9.198 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.909 8.274 5.648 1.00 0.00 H new ATOM 277 N LYS A 18 7.986 7.019 0.320 1.00 0.00 N ATOM 278 CA LYS A 18 8.720 6.494 -0.839 1.00 0.00 C ATOM 279 C LYS A 18 9.890 7.421 -1.144 1.00 0.00 C ATOM 280 O LYS A 18 11.013 6.981 -1.302 1.00 0.00 O ATOM 281 CB LYS A 18 7.823 6.209 -2.078 1.00 0.00 C ATOM 282 CG LYS A 18 7.811 7.240 -3.222 1.00 0.00 C ATOM 283 CD LYS A 18 6.915 8.451 -2.946 1.00 0.00 C ATOM 284 CE LYS A 18 7.311 9.723 -3.695 1.00 0.00 C ATOM 285 NZ LYS A 18 7.540 9.551 -5.142 1.00 0.00 N ATOM 0 H LYS A 18 7.007 7.230 0.127 1.00 0.00 H new ATOM 0 HA LYS A 18 9.108 5.509 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.129 5.251 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.798 6.090 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.830 7.585 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.476 6.751 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.889 8.194 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.926 8.658 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.529 10.468 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.219 10.124 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.551 10.482 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.453 9.077 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.777 8.972 -5.548 1.00 0.00 H new ATOM 299 N ILE A 19 9.633 8.724 -1.162 1.00 0.00 N ATOM 300 CA ILE A 19 10.607 9.747 -1.489 1.00 0.00 C ATOM 301 C ILE A 19 11.766 9.653 -0.493 1.00 0.00 C ATOM 302 O ILE A 19 12.929 9.850 -0.848 1.00 0.00 O ATOM 303 CB ILE A 19 9.853 11.113 -1.482 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.950 11.879 -2.811 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.156 12.060 -0.311 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.714 12.777 -2.975 1.00 0.00 C ATOM 0 H ILE A 19 8.712 9.104 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 19 11.053 9.625 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 19 8.825 10.782 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.857 12.483 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.017 11.178 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.571 12.973 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.895 11.572 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.218 12.307 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.782 13.321 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.814 12.161 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.668 13.487 -2.149 1.00 0.00 H new ATOM 318 N ARG A 20 11.445 9.296 0.754 1.00 0.00 N ATOM 319 CA ARG A 20 12.369 9.205 1.863 1.00 0.00 C ATOM 320 C ARG A 20 13.139 7.877 1.873 1.00 0.00 C ATOM 321 O ARG A 20 13.974 7.741 2.765 1.00 0.00 O ATOM 322 CB ARG A 20 11.598 9.468 3.170 1.00 0.00 C ATOM 323 CG ARG A 20 11.161 10.944 3.352 1.00 0.00 C ATOM 324 CD ARG A 20 9.698 11.050 3.819 1.00 0.00 C ATOM 325 NE ARG A 20 9.329 12.320 4.474 1.00 0.00 N ATOM 326 CZ ARG A 20 9.607 12.673 5.737 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.619 12.097 6.380 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.875 13.593 6.361 1.00 0.00 N ATOM 0 H ARG A 20 10.490 9.054 1.018 1.00 0.00 H new ATOM 0 HA ARG A 20 13.140 9.968 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.714 8.831 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.223 9.177 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.812 11.429 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.282 11.478 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.048 10.905 2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.496 10.233 4.511 1.00 0.00 H new ATOM 0 HE ARG A 20 8.812 12.995 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.183 11.387 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.831 12.365 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.094 14.037 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.095 13.854 7.322 1.00 0.00 H new ATOM 342 N SER A 21 12.896 6.931 0.948 1.00 0.00 N ATOM 343 CA SER A 21 13.574 5.644 0.718 1.00 0.00 C ATOM 344 C SER A 21 12.694 4.757 -0.187 1.00 0.00 C ATOM 345 O SER A 21 11.852 4.031 0.345 1.00 0.00 O ATOM 346 CB SER A 21 13.844 4.880 2.030 1.00 0.00 C ATOM 347 OG SER A 21 14.969 5.366 2.734 1.00 0.00 O ATOM 0 H SER A 21 12.142 7.064 0.274 1.00 0.00 H new ATOM 0 HA SER A 21 14.532 5.864 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.965 4.948 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.993 3.824 1.804 1.00 0.00 H new ATOM 0 HG SER A 21 14.975 6.346 2.706 1.00 0.00 H new ATOM 353 N ALA A 22 12.850 4.798 -1.517 1.00 0.00 N ATOM 354 CA ALA A 22 12.254 3.856 -2.474 1.00 0.00 C ATOM 355 C ALA A 22 12.795 4.117 -3.878 1.00 0.00 C ATOM 356 O ALA A 22 13.313 5.201 -4.149 1.00 0.00 O ATOM 357 CB ALA A 22 10.729 4.034 -2.545 1.00 0.00 C ATOM 0 H ALA A 22 13.415 5.514 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 22 12.505 2.851 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.313 3.325 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.295 3.854 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.496 5.050 -2.864 1.00 0.00 H new ATOM 363 N LYS A 23 12.551 3.192 -4.813 1.00 0.00 N ATOM 364 CA LYS A 23 12.804 3.389 -6.245 1.00 0.00 C ATOM 365 C LYS A 23 11.579 3.001 -7.076 1.00 0.00 C ATOM 366 O LYS A 23 10.496 2.855 -6.501 1.00 0.00 O ATOM 367 CB LYS A 23 14.107 2.682 -6.663 1.00 0.00 C ATOM 368 CG LYS A 23 14.969 3.603 -7.548 1.00 0.00 C ATOM 369 CD LYS A 23 15.848 4.552 -6.725 1.00 0.00 C ATOM 370 CE LYS A 23 17.188 3.912 -6.355 1.00 0.00 C ATOM 371 NZ LYS A 23 18.151 3.933 -7.480 1.00 0.00 N ATOM 0 H LYS A 23 12.167 2.273 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 23 12.963 4.448 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.670 2.392 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.871 1.766 -7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.602 2.994 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.320 4.188 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.026 5.465 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.320 4.840 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.617 4.439 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.022 2.881 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.043 3.489 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.755 3.408 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.332 4.917 -7.764 1.00 0.00 H new ATOM 385 N ALA A 24 11.704 2.949 -8.403 1.00 0.00 N ATOM 386 CA ALA A 24 10.652 2.451 -9.279 1.00 0.00 C ATOM 387 C ALA A 24 10.608 0.926 -9.213 1.00 0.00 C ATOM 388 O ALA A 24 9.523 0.355 -9.247 1.00 0.00 O ATOM 389 CB ALA A 24 10.871 2.873 -10.736 1.00 0.00 C ATOM 0 H ALA A 24 12.542 3.253 -8.898 1.00 0.00 H new ATOM 0 HA ALA A 24 9.711 2.880 -8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.064 2.480 -11.354 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.882 3.961 -10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.823 2.478 -11.090 1.00 0.00 H new ATOM 395 N GLU A 25 11.757 0.241 -9.075 1.00 0.00 N ATOM 396 CA GLU A 25 11.755 -1.226 -8.957 1.00 0.00 C ATOM 397 C GLU A 25 11.415 -1.684 -7.543 1.00 0.00 C ATOM 398 O GLU A 25 11.870 -2.722 -7.055 1.00 0.00 O ATOM 399 CB GLU A 25 13.024 -1.904 -9.502 1.00 0.00 C ATOM 400 CG GLU A 25 14.244 -1.033 -9.771 1.00 0.00 C ATOM 401 CD GLU A 25 14.948 -0.496 -8.523 1.00 0.00 C ATOM 402 OE1 GLU A 25 14.800 -1.095 -7.433 1.00 0.00 O ATOM 403 OE2 GLU A 25 15.681 0.507 -8.658 1.00 0.00 O ATOM 0 H GLU A 25 12.682 0.670 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 25 10.953 -1.566 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.318 -2.680 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.760 -2.405 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.962 -1.611 -10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.939 -0.188 -10.388 1.00 0.00 H new ATOM 410 N ASP A 26 10.494 -0.977 -6.904 1.00 0.00 N ATOM 411 CA ASP A 26 10.214 -1.202 -5.510 1.00 0.00 C ATOM 412 C ASP A 26 8.822 -1.783 -5.323 1.00 0.00 C ATOM 413 O ASP A 26 8.016 -1.807 -6.256 1.00 0.00 O ATOM 414 CB ASP A 26 10.482 0.071 -4.715 1.00 0.00 C ATOM 415 CG ASP A 26 11.179 -0.248 -3.401 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.951 -1.347 -2.839 1.00 0.00 O ATOM 417 OD2 ASP A 26 12.032 0.575 -3.000 1.00 0.00 O ATOM 0 H ASP A 26 9.932 -0.244 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 26 10.890 -1.957 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.099 0.749 -5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.542 0.586 -4.517 1.00 0.00 H new ATOM 422 N LYS A 27 8.534 -2.297 -4.131 1.00 0.00 N ATOM 423 CA LYS A 27 7.391 -3.172 -3.894 1.00 0.00 C ATOM 424 C LYS A 27 6.661 -2.650 -2.674 1.00 0.00 C ATOM 425 O LYS A 27 7.330 -2.380 -1.677 1.00 0.00 O ATOM 426 CB LYS A 27 7.867 -4.613 -3.667 1.00 0.00 C ATOM 427 CG LYS A 27 8.696 -5.227 -4.814 1.00 0.00 C ATOM 428 CD LYS A 27 9.787 -6.194 -4.327 1.00 0.00 C ATOM 429 CE LYS A 27 11.095 -5.492 -3.923 1.00 0.00 C ATOM 430 NZ LYS A 27 11.011 -4.756 -2.640 1.00 0.00 N ATOM 0 H LYS A 27 9.092 -2.116 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 27 6.724 -3.178 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.464 -4.641 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.994 -5.243 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.028 -5.757 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.161 -4.425 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.408 -6.757 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.000 -6.916 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.888 -6.236 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.381 -4.796 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.960 -4.676 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.627 -3.805 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.387 -5.269 -1.985 1.00 0.00 H new ATOM 444 N ILE A 28 5.348 -2.423 -2.754 1.00 0.00 N ATOM 445 CA ILE A 28 4.571 -1.913 -1.633 1.00 0.00 C ATOM 446 C ILE A 28 3.120 -2.421 -1.759 1.00 0.00 C ATOM 447 O ILE A 28 2.684 -2.779 -2.855 1.00 0.00 O ATOM 448 CB ILE A 28 4.640 -0.365 -1.582 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.927 0.325 -2.112 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.496 0.040 -0.108 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.739 1.825 -2.326 1.00 0.00 C ATOM 0 H ILE A 28 4.799 -2.589 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 28 4.987 -2.279 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 28 3.849 -0.032 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.741 0.161 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.223 -0.139 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.539 1.126 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.540 -0.316 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.307 -0.402 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.668 2.259 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.945 1.992 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.470 2.297 -1.381 1.00 0.00 H new ATOM 463 N VAL A 29 2.369 -2.420 -0.653 1.00 0.00 N ATOM 464 CA VAL A 29 0.952 -2.781 -0.516 1.00 0.00 C ATOM 465 C VAL A 29 0.370 -1.950 0.645 1.00 0.00 C ATOM 466 O VAL A 29 1.139 -1.602 1.539 1.00 0.00 O ATOM 467 CB VAL A 29 0.815 -4.304 -0.246 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.590 -4.739 0.215 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.183 -5.104 -1.500 1.00 0.00 C ATOM 0 H VAL A 29 2.768 -2.144 0.244 1.00 0.00 H new ATOM 0 HA VAL A 29 0.403 -2.565 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 29 1.504 -4.512 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.601 -5.816 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.844 -4.226 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.320 -4.483 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.082 -6.170 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.516 -4.827 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.213 -4.885 -1.782 1.00 0.00 H new ATOM 479 N LEU A 30 -0.947 -1.671 0.680 1.00 0.00 N ATOM 480 CA LEU A 30 -1.642 -0.893 1.729 1.00 0.00 C ATOM 481 C LEU A 30 -2.708 -1.726 2.422 1.00 0.00 C ATOM 482 O LEU A 30 -3.427 -2.462 1.744 1.00 0.00 O ATOM 483 CB LEU A 30 -2.360 0.375 1.190 1.00 0.00 C ATOM 484 CG LEU A 30 -2.008 0.870 -0.216 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.043 1.912 -0.650 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.649 1.553 -0.207 1.00 0.00 C ATOM 0 H LEU A 30 -1.583 -1.993 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.848 -0.598 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.433 0.185 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.163 1.189 1.887 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.995 0.017 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.801 2.271 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.034 1.459 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.031 2.749 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.410 1.901 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.674 2.403 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.112 0.845 0.123 1.00 0.00 H new ATOM 498 N ILE A 31 -2.885 -1.523 3.734 1.00 0.00 N ATOM 499 CA ILE A 31 -3.912 -2.179 4.538 1.00 0.00 C ATOM 500 C ILE A 31 -4.642 -1.174 5.436 1.00 0.00 C ATOM 501 O ILE A 31 -4.416 0.023 5.320 1.00 0.00 O ATOM 502 CB ILE A 31 -3.346 -3.418 5.273 1.00 0.00 C ATOM 503 CG1 ILE A 31 -2.745 -3.067 6.646 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.328 -4.228 4.439 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.530 -4.277 7.529 1.00 0.00 C ATOM 0 H ILE A 31 -2.302 -0.883 4.274 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.682 -2.575 3.876 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.214 -4.059 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.792 -2.558 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.405 -2.366 7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.977 -5.080 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.807 -4.584 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.482 -3.592 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.104 -3.961 8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.484 -4.773 7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.846 -4.969 7.038 1.00 0.00 H new ATOM 517 N GLN A 32 -5.525 -1.666 6.309 1.00 0.00 N ATOM 518 CA GLN A 32 -6.359 -0.996 7.302 1.00 0.00 C ATOM 519 C GLN A 32 -6.705 0.423 6.872 1.00 0.00 C ATOM 520 O GLN A 32 -7.421 0.618 5.894 1.00 0.00 O ATOM 521 CB GLN A 32 -5.789 -1.076 8.730 1.00 0.00 C ATOM 522 CG GLN A 32 -5.578 -2.501 9.238 1.00 0.00 C ATOM 523 CD GLN A 32 -6.786 -3.117 9.935 1.00 0.00 C ATOM 524 OE1 GLN A 32 -6.951 -2.982 11.142 1.00 0.00 O ATOM 525 NE2 GLN A 32 -7.648 -3.827 9.236 1.00 0.00 N ATOM 0 H GLN A 32 -5.690 -2.672 6.336 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.297 -1.549 7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.837 -0.546 8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.465 -0.556 9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.300 -3.135 8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.736 -2.504 9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.517 -3.943 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.447 -4.260 9.700 1.00 0.00 H new ATOM 534 N ASN A 33 -6.152 1.417 7.572 1.00 0.00 N ATOM 535 CA ASN A 33 -6.320 2.812 7.205 1.00 0.00 C ATOM 536 C ASN A 33 -5.287 3.236 6.183 1.00 0.00 C ATOM 537 O ASN A 33 -5.587 4.142 5.425 1.00 0.00 O ATOM 538 CB ASN A 33 -6.290 3.740 8.425 1.00 0.00 C ATOM 539 CG ASN A 33 -7.631 3.657 9.141 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.463 4.546 8.999 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.938 2.555 9.803 1.00 0.00 N ATOM 0 H ASN A 33 -5.580 1.271 8.404 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.308 2.903 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.484 3.450 9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.092 4.766 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.871 2.441 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.242 1.819 9.918 1.00 0.00 H new ATOM 548 N GLY A 34 -4.117 2.593 6.108 1.00 0.00 N ATOM 549 CA GLY A 34 -3.111 2.734 5.051 1.00 0.00 C ATOM 550 C GLY A 34 -3.690 2.804 3.640 1.00 0.00 C ATOM 551 O GLY A 34 -3.082 3.389 2.755 1.00 0.00 O ATOM 0 H GLY A 34 -3.831 1.924 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.529 3.636 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.421 1.892 5.107 1.00 0.00 H new ATOM 555 N VAL A 35 -4.893 2.289 3.400 1.00 0.00 N ATOM 556 CA VAL A 35 -5.612 2.499 2.153 1.00 0.00 C ATOM 557 C VAL A 35 -5.784 3.991 1.783 1.00 0.00 C ATOM 558 O VAL A 35 -5.998 4.290 0.608 1.00 0.00 O ATOM 559 CB VAL A 35 -6.958 1.771 2.231 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.800 0.273 2.526 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.906 2.402 3.272 1.00 0.00 C ATOM 0 H VAL A 35 -5.397 1.711 4.072 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.013 2.082 1.344 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.403 1.882 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.784 -0.195 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.212 -0.193 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.292 0.142 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.846 1.851 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.443 2.361 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.100 3.441 3.005 1.00 0.00 H new ATOM 571 N PHE A 36 -5.665 4.926 2.741 1.00 0.00 N ATOM 572 CA PHE A 36 -5.657 6.371 2.521 1.00 0.00 C ATOM 573 C PHE A 36 -4.512 6.811 1.598 1.00 0.00 C ATOM 574 O PHE A 36 -4.628 7.819 0.909 1.00 0.00 O ATOM 575 CB PHE A 36 -5.607 7.140 3.863 1.00 0.00 C ATOM 576 CG PHE A 36 -6.978 7.470 4.445 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.646 8.625 4.003 1.00 0.00 C ATOM 578 CD2 PHE A 36 -7.588 6.681 5.441 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.892 8.986 4.541 1.00 0.00 C ATOM 580 CE2 PHE A 36 -8.836 7.039 5.981 1.00 0.00 C ATOM 581 CZ PHE A 36 -9.482 8.206 5.547 1.00 0.00 C ATOM 0 H PHE A 36 -5.568 4.680 3.726 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.591 6.619 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.050 6.547 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.054 8.068 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.195 9.243 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.090 5.790 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.399 9.868 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.298 6.414 6.731 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.425 8.501 5.983 1.00 0.00 H new ATOM 591 N TRP A 37 -3.443 6.025 1.500 1.00 0.00 N ATOM 592 CA TRP A 37 -2.369 6.257 0.547 1.00 0.00 C ATOM 593 C TRP A 37 -2.846 6.174 -0.908 1.00 0.00 C ATOM 594 O TRP A 37 -2.170 6.700 -1.793 1.00 0.00 O ATOM 595 CB TRP A 37 -1.252 5.233 0.758 1.00 0.00 C ATOM 596 CG TRP A 37 -0.325 5.472 1.897 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.228 4.728 3.020 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.664 6.530 2.016 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.753 5.266 3.832 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.342 6.377 3.254 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.037 7.620 1.205 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.347 7.274 3.654 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.032 8.530 1.608 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.711 8.341 2.824 1.00 0.00 C ATOM 0 H TRP A 37 -3.300 5.203 2.086 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.003 7.268 0.725 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.711 4.254 0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.660 5.183 -0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.821 3.854 3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.011 4.890 4.745 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.548 7.760 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.840 7.140 4.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.274 9.376 0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.506 9.012 3.115 1.00 0.00 H new ATOM 615 N ALA A 38 -3.972 5.514 -1.198 1.00 0.00 N ATOM 616 CA ALA A 38 -4.513 5.411 -2.549 1.00 0.00 C ATOM 617 C ALA A 38 -5.440 6.567 -2.883 1.00 0.00 C ATOM 618 O ALA A 38 -6.437 6.340 -3.571 1.00 0.00 O ATOM 619 CB ALA A 38 -5.216 4.067 -2.712 1.00 0.00 C ATOM 0 H ALA A 38 -4.534 5.035 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.686 5.469 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.621 3.988 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.503 3.260 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.028 3.991 -1.988 1.00 0.00 H new ATOM 625 N LEU A 39 -5.093 7.784 -2.441 1.00 0.00 N ATOM 626 CA LEU A 39 -5.904 8.997 -2.558 1.00 0.00 C ATOM 627 C LEU A 39 -5.194 10.206 -1.928 1.00 0.00 C ATOM 628 O LEU A 39 -5.810 11.106 -1.346 1.00 0.00 O ATOM 629 CB LEU A 39 -7.324 8.733 -2.034 1.00 0.00 C ATOM 630 CG LEU A 39 -7.464 7.938 -0.717 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.621 8.834 0.507 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.655 6.992 -0.815 1.00 0.00 C ATOM 0 H LEU A 39 -4.202 7.954 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.020 9.267 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.817 9.696 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.874 8.199 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.539 7.377 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.715 8.217 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.747 9.478 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.514 9.449 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.752 6.432 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.564 7.568 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.502 6.298 -1.642 1.00 0.00 H new ATOM 644 N GLU A 40 -3.879 10.250 -2.138 1.00 0.00 N ATOM 645 CA GLU A 40 -2.947 11.298 -1.748 1.00 0.00 C ATOM 646 C GLU A 40 -2.692 12.245 -2.932 1.00 0.00 C ATOM 647 O GLU A 40 -3.405 12.202 -3.939 1.00 0.00 O ATOM 648 CB GLU A 40 -1.665 10.597 -1.260 1.00 0.00 C ATOM 649 CG GLU A 40 -1.809 10.138 0.183 1.00 0.00 C ATOM 650 CD GLU A 40 -1.654 11.306 1.170 1.00 0.00 C ATOM 651 OE1 GLU A 40 -0.661 12.069 1.048 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.550 11.550 2.000 1.00 0.00 O ATOM 0 H GLU A 40 -3.403 9.490 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.345 11.920 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.450 9.740 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.819 11.279 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.785 9.672 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.059 9.377 0.399 1.00 0.00 H new ATOM 659 N GLU A 41 -1.696 13.126 -2.804 1.00 0.00 N ATOM 660 CA GLU A 41 -1.304 14.082 -3.831 1.00 0.00 C ATOM 661 C GLU A 41 0.182 13.969 -4.116 1.00 0.00 C ATOM 662 O GLU A 41 0.954 14.885 -3.822 1.00 0.00 O ATOM 663 CB GLU A 41 -1.685 15.515 -3.438 1.00 0.00 C ATOM 664 CG GLU A 41 -3.172 15.857 -3.417 1.00 0.00 C ATOM 665 CD GLU A 41 -3.394 17.326 -3.021 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.599 18.220 -3.413 1.00 0.00 O ATOM 667 OE2 GLU A 41 -4.386 17.606 -2.311 1.00 0.00 O ATOM 0 H GLU A 41 -1.128 13.192 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.849 13.842 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.278 15.714 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.190 16.198 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.605 15.672 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.689 15.205 -2.713 1.00 0.00 H new ATOM 674 N LEU A 42 0.582 12.830 -4.670 1.00 0.00 N ATOM 675 CA LEU A 42 1.928 12.509 -5.117 1.00 0.00 C ATOM 676 C LEU A 42 1.808 11.264 -6.005 1.00 0.00 C ATOM 677 O LEU A 42 0.788 11.114 -6.679 1.00 0.00 O ATOM 678 CB LEU A 42 2.821 12.369 -3.874 1.00 0.00 C ATOM 679 CG LEU A 42 4.016 13.352 -3.905 1.00 0.00 C ATOM 680 CD1 LEU A 42 4.018 14.336 -2.732 1.00 0.00 C ATOM 681 CD2 LEU A 42 5.348 12.612 -3.883 1.00 0.00 C ATOM 0 H LEU A 42 -0.067 12.059 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 42 2.405 13.279 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.226 12.549 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.194 11.347 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 42 3.896 13.907 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.881 14.997 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.104 14.929 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.071 13.784 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.165 13.333 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.417 12.014 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.416 11.959 -4.753 1.00 0.00 H new ATOM 693 N GLU A 43 2.830 10.408 -6.072 1.00 0.00 N ATOM 694 CA GLU A 43 2.775 9.082 -6.687 1.00 0.00 C ATOM 695 C GLU A 43 4.017 8.294 -6.244 1.00 0.00 C ATOM 696 O GLU A 43 5.013 8.893 -5.828 1.00 0.00 O ATOM 697 CB GLU A 43 2.628 9.173 -8.216 1.00 0.00 C ATOM 698 CG GLU A 43 3.603 10.175 -8.830 1.00 0.00 C ATOM 699 CD GLU A 43 3.362 10.394 -10.317 1.00 0.00 C ATOM 700 OE1 GLU A 43 2.244 10.809 -10.703 1.00 0.00 O ATOM 701 OE2 GLU A 43 4.312 10.196 -11.108 1.00 0.00 O ATOM 0 H GLU A 43 3.749 10.627 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 43 1.887 8.547 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.796 8.189 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.607 9.463 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.515 11.128 -8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.623 9.822 -8.680 1.00 0.00 H new ATOM 708 N THR A 44 3.996 6.964 -6.359 1.00 0.00 N ATOM 709 CA THR A 44 5.197 6.121 -6.391 1.00 0.00 C ATOM 710 C THR A 44 5.362 5.558 -7.798 1.00 0.00 C ATOM 711 O THR A 44 4.361 5.162 -8.412 1.00 0.00 O ATOM 712 CB THR A 44 5.266 5.047 -5.307 1.00 0.00 C ATOM 713 OG1 THR A 44 6.545 4.457 -5.210 1.00 0.00 O ATOM 714 CG2 THR A 44 4.257 3.983 -5.514 1.00 0.00 C ATOM 0 H THR A 44 3.129 6.432 -6.434 1.00 0.00 H new ATOM 0 HA THR A 44 6.047 6.758 -6.146 1.00 0.00 H new ATOM 0 HB THR A 44 5.051 5.566 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.587 3.898 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.343 3.241 -4.720 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.259 4.420 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.426 3.504 -6.478 1.00 0.00 H new ATOM 722 N PRO A 45 6.609 5.443 -8.278 1.00 0.00 N ATOM 723 CA PRO A 45 6.921 4.600 -9.407 1.00 0.00 C ATOM 724 C PRO A 45 7.034 3.107 -9.030 1.00 0.00 C ATOM 725 O PRO A 45 7.240 2.278 -9.912 1.00 0.00 O ATOM 726 CB PRO A 45 8.244 5.155 -9.911 1.00 0.00 C ATOM 727 CG PRO A 45 8.968 5.660 -8.673 1.00 0.00 C ATOM 728 CD PRO A 45 7.824 6.060 -7.752 1.00 0.00 C ATOM 0 HA PRO A 45 6.133 4.619 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.825 4.385 -10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.085 5.960 -10.629 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.594 4.887 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.618 6.505 -8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.016 5.724 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.720 7.144 -7.716 1.00 0.00 H new ATOM 736 N ALA A 46 6.874 2.741 -7.750 1.00 0.00 N ATOM 737 CA ALA A 46 6.930 1.357 -7.272 1.00 0.00 C ATOM 738 C ALA A 46 5.604 0.668 -7.611 1.00 0.00 C ATOM 739 O ALA A 46 4.654 1.359 -7.995 1.00 0.00 O ATOM 740 CB ALA A 46 7.095 1.387 -5.748 1.00 0.00 C ATOM 0 H ALA A 46 6.699 3.415 -7.005 1.00 0.00 H new ATOM 0 HA ALA A 46 7.758 0.822 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.139 0.367 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.016 1.910 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.247 1.905 -5.300 1.00 0.00 H new ATOM 746 N LYS A 47 5.465 -0.654 -7.447 1.00 0.00 N ATOM 747 CA LYS A 47 4.150 -1.254 -7.583 1.00 0.00 C ATOM 748 C LYS A 47 3.430 -0.972 -6.276 1.00 0.00 C ATOM 749 O LYS A 47 4.064 -0.967 -5.211 1.00 0.00 O ATOM 750 CB LYS A 47 4.256 -2.750 -7.883 1.00 0.00 C ATOM 751 CG LYS A 47 5.230 -3.467 -6.941 1.00 0.00 C ATOM 752 CD LYS A 47 5.111 -4.979 -6.896 1.00 0.00 C ATOM 753 CE LYS A 47 5.382 -5.699 -8.226 1.00 0.00 C ATOM 754 NZ LYS A 47 6.821 -5.894 -8.518 1.00 0.00 N ATOM 0 H LYS A 47 6.222 -1.301 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 47 3.595 -0.834 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.270 -3.206 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.583 -2.889 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.247 -3.210 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.083 -3.079 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.806 -5.360 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.107 -5.238 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.889 -6.671 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.931 -5.127 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.927 -6.385 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.294 -4.969 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.254 -6.465 -7.764 1.00 0.00 H new ATOM 768 N VAL A 48 2.124 -0.739 -6.331 1.00 0.00 N ATOM 769 CA VAL A 48 1.357 -0.542 -5.133 1.00 0.00 C ATOM 770 C VAL A 48 0.025 -1.193 -5.372 1.00 0.00 C ATOM 771 O VAL A 48 -0.573 -1.019 -6.433 1.00 0.00 O ATOM 772 CB VAL A 48 1.164 0.936 -4.796 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.992 1.021 -3.281 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.316 1.863 -5.183 1.00 0.00 C ATOM 0 H VAL A 48 1.586 -0.684 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 48 1.884 -0.978 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 48 0.306 1.277 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.850 2.061 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.122 0.438 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.881 0.624 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.071 2.886 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.224 1.550 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.475 1.815 -6.260 1.00 0.00 H new ATOM 784 N TYR A 49 -0.431 -1.921 -4.369 1.00 0.00 N ATOM 785 CA TYR A 49 -1.677 -2.634 -4.421 1.00 0.00 C ATOM 786 C TYR A 49 -2.372 -2.469 -3.066 1.00 0.00 C ATOM 787 O TYR A 49 -1.727 -2.590 -2.029 1.00 0.00 O ATOM 788 CB TYR A 49 -1.326 -4.080 -4.741 1.00 0.00 C ATOM 789 CG TYR A 49 -0.697 -4.353 -6.112 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.547 -4.474 -7.224 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.698 -4.504 -6.311 1.00 0.00 C ATOM 792 CE1 TYR A 49 -1.051 -4.677 -8.519 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.192 -4.802 -7.597 1.00 0.00 C ATOM 794 CZ TYR A 49 0.333 -4.822 -8.714 1.00 0.00 C ATOM 795 OH TYR A 49 0.825 -4.929 -9.976 1.00 0.00 O ATOM 0 H TYR A 49 0.068 -2.030 -3.486 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.366 -2.264 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.639 -4.440 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.235 -4.676 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.615 -4.409 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.380 -4.391 -5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.727 -4.722 -9.360 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.242 -5.018 -7.728 1.00 0.00 H new ATOM 0 HH TYR A 49 1.800 -5.022 -9.940 1.00 0.00 H new ATOM 805 N ALA A 50 -3.664 -2.149 -3.032 1.00 0.00 N ATOM 806 CA ALA A 50 -4.387 -1.956 -1.775 1.00 0.00 C ATOM 807 C ALA A 50 -5.119 -3.253 -1.428 1.00 0.00 C ATOM 808 O ALA A 50 -5.597 -3.938 -2.331 1.00 0.00 O ATOM 809 CB ALA A 50 -5.398 -0.822 -1.951 1.00 0.00 C ATOM 0 H ALA A 50 -4.236 -2.017 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.694 -1.700 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.942 -0.671 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.873 0.095 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.101 -1.081 -2.743 1.00 0.00 H new ATOM 815 N ILE A 51 -5.313 -3.544 -0.141 1.00 0.00 N ATOM 816 CA ILE A 51 -6.155 -4.652 0.293 1.00 0.00 C ATOM 817 C ILE A 51 -7.587 -4.174 0.172 1.00 0.00 C ATOM 818 O ILE A 51 -8.056 -3.326 0.935 1.00 0.00 O ATOM 819 CB ILE A 51 -5.774 -5.134 1.714 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.379 -5.778 1.743 1.00 0.00 C ATOM 821 CG2 ILE A 51 -6.796 -6.135 2.285 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.130 -6.890 0.723 1.00 0.00 C ATOM 0 H ILE A 51 -4.891 -3.019 0.625 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.014 -5.535 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.772 -4.240 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.637 -4.996 1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.209 -6.183 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.485 -6.443 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.776 -5.662 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.851 -7.009 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.114 -7.268 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.840 -7.701 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.259 -6.495 -0.285 1.00 0.00 H new ATOM 834 N LYS A 52 -8.272 -4.755 -0.811 1.00 0.00 N ATOM 835 CA LYS A 52 -9.655 -4.484 -1.121 1.00 0.00 C ATOM 836 C LYS A 52 -10.523 -4.706 0.099 1.00 0.00 C ATOM 837 O LYS A 52 -11.255 -3.799 0.464 1.00 0.00 O ATOM 838 CB LYS A 52 -10.096 -5.301 -2.345 1.00 0.00 C ATOM 839 CG LYS A 52 -11.416 -4.733 -2.868 1.00 0.00 C ATOM 840 CD LYS A 52 -11.929 -5.402 -4.146 1.00 0.00 C ATOM 841 CE LYS A 52 -12.655 -6.716 -3.834 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.518 -7.148 -4.951 1.00 0.00 N ATOM 0 H LYS A 52 -7.855 -5.451 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.774 -3.435 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.333 -5.258 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.217 -6.350 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.174 -4.832 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.290 -3.667 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.606 -4.725 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.093 -5.597 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.922 -7.494 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.259 -6.592 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.938 -8.073 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.275 -6.450 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.950 -7.226 -5.819 1.00 0.00 H new ATOM 856 N ASP A 53 -10.399 -5.856 0.764 1.00 0.00 N ATOM 857 CA ASP A 53 -11.131 -6.150 1.997 1.00 0.00 C ATOM 858 C ASP A 53 -11.036 -4.991 2.972 1.00 0.00 C ATOM 859 O ASP A 53 -12.055 -4.505 3.453 1.00 0.00 O ATOM 860 CB ASP A 53 -10.580 -7.410 2.684 1.00 0.00 C ATOM 861 CG ASP A 53 -11.474 -8.616 2.479 1.00 0.00 C ATOM 862 OD1 ASP A 53 -12.692 -8.518 2.761 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.952 -9.646 2.004 1.00 0.00 O ATOM 0 H ASP A 53 -9.786 -6.613 0.461 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.172 -6.314 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.586 -7.628 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.470 -7.220 3.752 1.00 0.00 H new ATOM 868 N ASP A 54 -9.817 -4.532 3.253 1.00 0.00 N ATOM 869 CA ASP A 54 -9.598 -3.452 4.180 1.00 0.00 C ATOM 870 C ASP A 54 -10.176 -2.135 3.693 1.00 0.00 C ATOM 871 O ASP A 54 -10.721 -1.402 4.508 1.00 0.00 O ATOM 872 CB ASP A 54 -8.101 -3.309 4.488 1.00 0.00 C ATOM 873 CG ASP A 54 -7.814 -3.713 5.922 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.675 -3.474 6.793 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.697 -4.179 6.229 1.00 0.00 O ATOM 0 H ASP A 54 -8.963 -4.906 2.839 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.129 -3.705 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.522 -3.931 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.787 -2.278 4.324 1.00 0.00 H new ATOM 880 N PHE A 55 -10.082 -1.824 2.400 1.00 0.00 N ATOM 881 CA PHE A 55 -10.613 -0.598 1.810 1.00 0.00 C ATOM 882 C PHE A 55 -12.137 -0.561 1.911 1.00 0.00 C ATOM 883 O PHE A 55 -12.735 0.451 2.277 1.00 0.00 O ATOM 884 CB PHE A 55 -10.172 -0.532 0.341 1.00 0.00 C ATOM 885 CG PHE A 55 -10.288 0.821 -0.339 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.816 1.989 0.283 1.00 0.00 C ATOM 887 CD2 PHE A 55 -10.816 0.918 -1.633 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.765 3.212 -0.404 1.00 0.00 C ATOM 889 CE2 PHE A 55 -10.876 2.163 -2.277 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.306 3.305 -1.693 1.00 0.00 C ATOM 0 H PHE A 55 -9.624 -2.431 1.720 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.226 0.264 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.133 -0.856 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.763 -1.251 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.486 1.945 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.177 0.033 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.311 4.076 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.368 2.244 -3.235 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.285 4.242 -2.230 1.00 0.00 H new ATOM 900 N LEU A 56 -12.762 -1.697 1.627 1.00 0.00 N ATOM 901 CA LEU A 56 -14.185 -1.942 1.762 1.00 0.00 C ATOM 902 C LEU A 56 -14.590 -1.839 3.222 1.00 0.00 C ATOM 903 O LEU A 56 -15.639 -1.271 3.528 1.00 0.00 O ATOM 904 CB LEU A 56 -14.476 -3.346 1.226 1.00 0.00 C ATOM 905 CG LEU A 56 -14.290 -3.468 -0.298 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.443 -4.943 -0.689 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.334 -2.638 -1.059 1.00 0.00 C ATOM 0 H LEU A 56 -12.259 -2.513 1.278 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.755 -1.203 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.820 -4.060 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.499 -3.621 1.483 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.301 -3.092 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.314 -5.049 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.688 -5.536 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.436 -5.293 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.174 -2.747 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.334 -2.989 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.236 -1.588 -0.782 1.00 0.00 H new ATOM 919 N ALA A 57 -13.754 -2.350 4.128 1.00 0.00 N ATOM 920 CA ALA A 57 -13.916 -2.193 5.563 1.00 0.00 C ATOM 921 C ALA A 57 -13.563 -0.770 6.033 1.00 0.00 C ATOM 922 O ALA A 57 -13.592 -0.494 7.239 1.00 0.00 O ATOM 923 CB ALA A 57 -13.091 -3.250 6.306 1.00 0.00 C ATOM 0 H ALA A 57 -12.930 -2.895 3.873 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.969 -2.345 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.220 -3.123 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.428 -4.245 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.038 -3.135 6.051 1.00 0.00 H new ATOM 929 N ARG A 58 -13.215 0.142 5.117 1.00 0.00 N ATOM 930 CA ARG A 58 -12.950 1.553 5.395 1.00 0.00 C ATOM 931 C ARG A 58 -13.868 2.411 4.515 1.00 0.00 C ATOM 932 O ARG A 58 -13.515 3.532 4.174 1.00 0.00 O ATOM 933 CB ARG A 58 -11.443 1.814 5.106 1.00 0.00 C ATOM 934 CG ARG A 58 -10.595 2.356 6.264 1.00 0.00 C ATOM 935 CD ARG A 58 -10.543 3.880 6.304 1.00 0.00 C ATOM 936 NE ARG A 58 -11.836 4.441 6.728 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.521 5.437 6.154 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.941 6.242 5.271 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.794 5.627 6.479 1.00 0.00 N ATOM 0 H ARG A 58 -13.107 -0.093 4.130 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.156 1.813 6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.996 0.879 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.374 2.519 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.999 1.987 7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.581 1.966 6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.760 4.203 6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.281 4.265 5.318 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.259 4.022 7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.961 6.105 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.475 6.997 4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.243 5.016 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.323 6.384 6.046 1.00 0.00 H new ATOM 953 N GLY A 59 -15.107 1.975 4.284 1.00 0.00 N ATOM 954 CA GLY A 59 -16.144 2.790 3.662 1.00 0.00 C ATOM 955 C GLY A 59 -15.829 3.325 2.260 1.00 0.00 C ATOM 956 O GLY A 59 -16.337 4.388 1.899 1.00 0.00 O ATOM 0 H GLY A 59 -15.419 1.035 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.058 2.199 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.352 3.638 4.314 1.00 0.00 H new ATOM 960 N TYR A 60 -15.027 2.626 1.454 1.00 0.00 N ATOM 961 CA TYR A 60 -14.821 2.934 0.045 1.00 0.00 C ATOM 962 C TYR A 60 -15.540 1.899 -0.826 1.00 0.00 C ATOM 963 O TYR A 60 -16.170 0.977 -0.301 1.00 0.00 O ATOM 964 CB TYR A 60 -13.316 2.964 -0.215 1.00 0.00 C ATOM 965 CG TYR A 60 -12.569 4.118 0.435 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.391 5.322 -0.265 1.00 0.00 C ATOM 967 CD2 TYR A 60 -11.977 3.969 1.701 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.698 6.394 0.318 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.251 5.025 2.287 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.123 6.248 1.597 1.00 0.00 C ATOM 971 OH TYR A 60 -10.411 7.273 2.143 1.00 0.00 O ATOM 0 H TYR A 60 -14.495 1.816 1.772 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.241 3.907 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.884 2.028 0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.150 3.005 -1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.792 5.424 -1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.080 3.034 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.605 7.330 -0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.796 4.898 3.258 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.315 7.128 3.107 1.00 0.00 H new ATOM 981 N SER A 61 -15.480 2.043 -2.151 1.00 0.00 N ATOM 982 CA SER A 61 -15.973 1.085 -3.128 1.00 0.00 C ATOM 983 C SER A 61 -14.852 0.827 -4.154 1.00 0.00 C ATOM 984 O SER A 61 -13.715 1.278 -3.971 1.00 0.00 O ATOM 985 CB SER A 61 -17.279 1.631 -3.719 1.00 0.00 C ATOM 986 OG SER A 61 -17.911 0.689 -4.565 1.00 0.00 O ATOM 0 H SER A 61 -15.068 2.868 -2.586 1.00 0.00 H new ATOM 0 HA SER A 61 -16.219 0.116 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.957 1.904 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.070 2.541 -4.281 1.00 0.00 H new ATOM 0 HG SER A 61 -18.740 1.073 -4.920 1.00 0.00 H new ATOM 992 N GLU A 62 -15.094 0.024 -5.195 1.00 0.00 N ATOM 993 CA GLU A 62 -14.026 -0.418 -6.092 1.00 0.00 C ATOM 994 C GLU A 62 -13.605 0.639 -7.111 1.00 0.00 C ATOM 995 O GLU A 62 -12.583 0.451 -7.771 1.00 0.00 O ATOM 996 CB GLU A 62 -14.312 -1.743 -6.806 1.00 0.00 C ATOM 997 CG GLU A 62 -14.645 -2.892 -5.851 1.00 0.00 C ATOM 998 CD GLU A 62 -14.439 -4.283 -6.476 1.00 0.00 C ATOM 999 OE1 GLU A 62 -13.488 -4.499 -7.265 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -15.141 -5.234 -6.070 1.00 0.00 O ATOM 0 H GLU A 62 -16.019 -0.332 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.190 -0.587 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.144 -1.602 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.444 -2.019 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.023 -2.806 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.681 -2.797 -5.527 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.278 1.788 -7.178 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.909 2.846 -8.123 1.00 0.00 C ATOM 1009 C GLU A 63 -13.175 4.029 -7.465 1.00 0.00 C ATOM 1010 O GLU A 63 -12.601 4.868 -8.158 1.00 0.00 O ATOM 1011 CB GLU A 63 -15.162 3.329 -8.863 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.792 3.852 -10.256 1.00 0.00 C ATOM 1013 CD GLU A 63 -15.952 4.522 -10.979 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -16.867 5.085 -10.334 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.914 4.561 -12.230 1.00 0.00 O ATOM 0 H GLU A 63 -15.081 2.011 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.200 2.413 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.877 2.511 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.650 4.117 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.972 4.564 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.426 3.023 -10.862 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.194 4.147 -6.140 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.690 5.323 -5.434 1.00 0.00 C ATOM 1024 C ASP A 64 -11.157 5.429 -5.519 1.00 0.00 C ATOM 1025 O ASP A 64 -10.600 6.530 -5.514 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.118 5.261 -3.959 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.635 5.206 -3.743 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.237 4.167 -4.104 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.186 6.159 -3.141 1.00 0.00 O ATOM 0 H ASP A 64 -13.562 3.425 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.114 6.206 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.665 4.383 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.721 6.134 -3.441 1.00 0.00 H new ATOM 1034 N SER A 65 -10.454 4.298 -5.554 1.00 0.00 N ATOM 1035 CA SER A 65 -9.027 4.194 -5.295 1.00 0.00 C ATOM 1036 C SER A 65 -8.227 4.621 -6.522 1.00 0.00 C ATOM 1037 O SER A 65 -8.675 4.413 -7.652 1.00 0.00 O ATOM 1038 CB SER A 65 -8.692 2.745 -4.891 1.00 0.00 C ATOM 1039 OG SER A 65 -7.394 2.669 -4.374 1.00 0.00 O ATOM 0 H SER A 65 -10.883 3.398 -5.772 1.00 0.00 H new ATOM 0 HA SER A 65 -8.755 4.862 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.407 2.394 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.784 2.089 -5.757 1.00 0.00 H new ATOM 0 HG SER A 65 -7.347 1.946 -3.714 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.025 5.180 -6.324 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.104 5.467 -7.431 1.00 0.00 C ATOM 1047 C LYS A 66 -5.006 4.414 -7.533 1.00 0.00 C ATOM 1048 O LYS A 66 -3.879 4.740 -7.930 1.00 0.00 O ATOM 1049 CB LYS A 66 -5.545 6.897 -7.266 1.00 0.00 C ATOM 1050 CG LYS A 66 -4.720 7.139 -5.989 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.413 7.931 -6.153 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.342 9.167 -5.236 1.00 0.00 C ATOM 1053 NZ LYS A 66 -4.339 10.184 -5.634 1.00 0.00 N ATOM 0 H LYS A 66 -6.668 5.443 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.645 5.419 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.922 7.127 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.379 7.599 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.349 7.665 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.479 6.171 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.568 7.277 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.314 8.249 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.516 8.867 -4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.342 9.598 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.235 11.026 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.188 10.448 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.297 9.794 -5.521 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.328 3.147 -7.273 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.413 2.011 -7.343 1.00 0.00 C ATOM 1069 C VAL A 67 -5.247 0.748 -7.586 1.00 0.00 C ATOM 1070 O VAL A 67 -6.458 0.752 -7.362 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.576 1.885 -6.038 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -2.860 3.167 -5.618 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.342 1.259 -4.869 1.00 0.00 C ATOM 0 H VAL A 67 -6.271 2.875 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.704 2.153 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.791 1.180 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.301 2.988 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.173 3.475 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.594 3.955 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.692 1.205 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.213 1.871 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.666 0.255 -5.143 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.604 -0.355 -7.984 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.236 -1.655 -8.062 1.00 0.00 C ATOM 1085 C PRO A 68 -5.553 -2.182 -6.670 1.00 0.00 C ATOM 1086 O PRO A 68 -4.676 -2.398 -5.826 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.277 -2.522 -8.867 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.915 -1.876 -8.633 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.228 -0.413 -8.438 1.00 0.00 C ATOM 0 HA PRO A 68 -6.206 -1.635 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.292 -3.557 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.539 -2.531 -9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.419 -2.297 -7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.249 -2.031 -9.482 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.556 0.035 -7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.101 0.141 -9.368 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.844 -2.388 -6.452 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.397 -3.088 -5.321 1.00 0.00 C ATOM 1099 C LEU A 69 -7.266 -4.576 -5.584 1.00 0.00 C ATOM 1100 O LEU A 69 -7.795 -5.095 -6.569 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.880 -2.736 -5.164 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.282 -1.266 -5.149 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.810 -1.257 -5.102 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.668 -0.580 -3.925 1.00 0.00 C ATOM 0 H LEU A 69 -7.561 -2.052 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.868 -2.806 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.423 -3.220 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.230 -3.185 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.925 -0.722 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.168 -0.227 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.204 -1.767 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.149 -1.770 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.956 0.471 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.029 -1.064 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.582 -0.658 -3.971 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.560 -5.239 -4.682 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.263 -6.662 -4.724 1.00 0.00 C ATOM 1118 C ILE A 70 -6.751 -7.366 -3.459 1.00 0.00 C ATOM 1119 O ILE A 70 -7.198 -6.721 -2.509 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.761 -6.886 -4.992 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.883 -6.612 -3.743 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.322 -6.080 -6.226 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.418 -7.056 -3.858 1.00 0.00 C ATOM 0 H ILE A 70 -6.160 -4.779 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.809 -7.114 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.608 -7.942 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.905 -5.543 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.332 -7.116 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.260 -6.244 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.894 -6.405 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.501 -5.019 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.892 -6.819 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.376 -8.131 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.944 -6.534 -4.689 1.00 0.00 H new ATOM 1135 N THR A 71 -6.655 -8.692 -3.427 1.00 0.00 N ATOM 1136 CA THR A 71 -6.991 -9.454 -2.240 1.00 0.00 C ATOM 1137 C THR A 71 -5.782 -9.603 -1.321 1.00 0.00 C ATOM 1138 O THR A 71 -4.639 -9.302 -1.673 1.00 0.00 O ATOM 1139 CB THR A 71 -7.526 -10.828 -2.641 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.515 -11.557 -3.305 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.790 -10.702 -3.494 1.00 0.00 C ATOM 0 H THR A 71 -6.345 -9.259 -4.216 1.00 0.00 H new ATOM 0 HA THR A 71 -7.763 -8.914 -1.692 1.00 0.00 H new ATOM 0 HB THR A 71 -7.808 -11.375 -1.741 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.860 -12.438 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.147 -11.696 -3.764 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.561 -10.181 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.563 -10.140 -4.400 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.026 -10.177 -0.146 1.00 0.00 N ATOM 1150 CA TYR A 72 -4.958 -10.603 0.732 1.00 0.00 C ATOM 1151 C TYR A 72 -4.058 -11.639 0.044 1.00 0.00 C ATOM 1152 O TYR A 72 -2.856 -11.599 0.270 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.546 -11.138 2.039 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.179 -10.105 2.965 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -5.379 -9.140 3.611 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -7.552 -10.173 3.264 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -5.919 -8.328 4.628 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.111 -9.340 4.250 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.291 -8.430 4.957 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.817 -7.643 5.938 1.00 0.00 O ATOM 0 H TYR A 72 -6.963 -10.356 0.215 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.328 -9.745 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.300 -11.886 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.755 -11.650 2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.344 -9.022 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.182 -10.871 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.287 -7.629 5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.167 -9.395 4.467 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.772 -7.838 6.037 1.00 0.00 H new ATOM 1170 N SER A 73 -4.570 -12.559 -0.782 1.00 0.00 N ATOM 1171 CA SER A 73 -3.721 -13.589 -1.387 1.00 0.00 C ATOM 1172 C SER A 73 -2.800 -13.024 -2.469 1.00 0.00 C ATOM 1173 O SER A 73 -1.683 -13.513 -2.643 1.00 0.00 O ATOM 1174 CB SER A 73 -4.557 -14.697 -2.020 1.00 0.00 C ATOM 1175 OG SER A 73 -5.828 -14.866 -1.410 1.00 0.00 O ATOM 0 H SER A 73 -5.555 -12.611 -1.044 1.00 0.00 H new ATOM 0 HA SER A 73 -3.117 -13.987 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.697 -14.476 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.006 -15.636 -1.960 1.00 0.00 H new ATOM 0 HG SER A 73 -6.314 -15.588 -1.861 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.272 -12.013 -3.200 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.468 -11.304 -4.182 1.00 0.00 C ATOM 1183 C GLU A 74 -1.325 -10.602 -3.440 1.00 0.00 C ATOM 1184 O GLU A 74 -0.192 -10.622 -3.903 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.358 -10.317 -4.949 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.461 -10.985 -5.786 1.00 0.00 C ATOM 1187 CD GLU A 74 -4.317 -10.782 -7.297 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -3.267 -11.160 -7.878 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -5.290 -10.288 -7.921 1.00 0.00 O ATOM 0 H GLU A 74 -4.228 -11.666 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.037 -11.986 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.821 -9.633 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.731 -9.716 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.464 -12.054 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.428 -10.594 -5.469 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.600 -10.033 -2.260 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.590 -9.399 -1.424 1.00 0.00 C ATOM 1198 C PHE A 75 0.470 -10.402 -0.991 1.00 0.00 C ATOM 1199 O PHE A 75 1.654 -10.094 -1.114 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.258 -8.708 -0.233 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.416 -8.417 1.004 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.872 -7.855 0.902 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.984 -8.603 2.279 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.548 -7.409 2.050 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.305 -8.162 3.429 1.00 0.00 C ATOM 1206 CZ PHE A 75 0.953 -7.552 3.314 1.00 0.00 C ATOM 0 H PHE A 75 -2.538 -10.003 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.074 -8.635 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.667 -7.761 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.102 -9.324 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.343 -7.766 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.945 -9.086 2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.525 -6.956 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.753 -8.293 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.463 -7.193 4.196 1.00 0.00 H new ATOM 1216 N ILE A 76 0.074 -11.583 -0.508 1.00 0.00 N ATOM 1217 CA ILE A 76 1.040 -12.593 -0.088 1.00 0.00 C ATOM 1218 C ILE A 76 1.986 -12.911 -1.244 1.00 0.00 C ATOM 1219 O ILE A 76 3.191 -12.929 -1.022 1.00 0.00 O ATOM 1220 CB ILE A 76 0.337 -13.848 0.484 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.546 -13.551 1.716 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.363 -14.922 0.874 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.065 -12.627 2.781 1.00 0.00 C ATOM 0 H ILE A 76 -0.902 -11.859 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 76 1.642 -12.197 0.730 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.310 -14.205 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.479 -13.105 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.802 -14.498 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.844 -15.793 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.937 -15.213 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.037 -14.523 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.646 -12.492 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.981 -13.074 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.294 -11.659 2.335 1.00 0.00 H new ATOM 1235 N ASP A 77 1.480 -13.077 -2.469 1.00 0.00 N ATOM 1236 CA ASP A 77 2.307 -13.381 -3.643 1.00 0.00 C ATOM 1237 C ASP A 77 3.288 -12.279 -4.011 1.00 0.00 C ATOM 1238 O ASP A 77 4.266 -12.516 -4.727 1.00 0.00 O ATOM 1239 CB ASP A 77 1.394 -13.599 -4.835 1.00 0.00 C ATOM 1240 CG ASP A 77 2.121 -14.140 -6.063 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.767 -15.209 -5.940 1.00 0.00 O ATOM 1242 OD2 ASP A 77 1.849 -13.647 -7.181 1.00 0.00 O ATOM 0 H ASP A 77 0.484 -13.005 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 77 2.891 -14.265 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.602 -14.294 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.913 -12.655 -5.093 1.00 0.00 H new ATOM 1247 N LEU A 78 3.032 -11.058 -3.539 1.00 0.00 N ATOM 1248 CA LEU A 78 3.973 -9.980 -3.742 1.00 0.00 C ATOM 1249 C LEU A 78 5.164 -10.117 -2.794 1.00 0.00 C ATOM 1250 O LEU A 78 6.233 -9.602 -3.120 1.00 0.00 O ATOM 1251 CB LEU A 78 3.312 -8.600 -3.602 1.00 0.00 C ATOM 1252 CG LEU A 78 2.269 -8.316 -4.699 1.00 0.00 C ATOM 1253 CD1 LEU A 78 1.450 -7.082 -4.324 1.00 0.00 C ATOM 1254 CD2 LEU A 78 2.913 -8.098 -6.071 1.00 0.00 C ATOM 0 H LEU A 78 2.191 -10.803 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 78 4.336 -10.055 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.832 -8.531 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.083 -7.830 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 78 1.626 -9.193 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.713 -6.884 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.939 -7.258 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.112 -6.222 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.137 -7.901 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.592 -7.247 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.469 -8.990 -6.358 1.00 0.00 H new ATOM 1266 N LEU A 79 4.989 -10.787 -1.648 1.00 0.00 N ATOM 1267 CA LEU A 79 6.013 -11.017 -0.638 1.00 0.00 C ATOM 1268 C LEU A 79 6.895 -12.176 -1.107 1.00 0.00 C ATOM 1269 O LEU A 79 7.876 -11.951 -1.809 1.00 0.00 O ATOM 1270 CB LEU A 79 5.397 -11.256 0.756 1.00 0.00 C ATOM 1271 CG LEU A 79 4.439 -10.148 1.225 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.963 -10.477 2.640 1.00 0.00 C ATOM 1273 CD2 LEU A 79 5.096 -8.763 1.181 1.00 0.00 C ATOM 0 H LEU A 79 4.090 -11.198 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 79 6.633 -10.128 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.859 -12.204 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.202 -11.355 1.484 1.00 0.00 H new ATOM 0 HG LEU A 79 3.588 -10.111 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.282 -9.699 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.445 -11.436 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.822 -10.531 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.383 -8.011 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.970 -8.754 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.402 -8.538 0.159 1.00 0.00 H new ATOM 1285 N GLU A 80 6.538 -13.408 -0.737 1.00 0.00 N ATOM 1286 CA GLU A 80 7.213 -14.677 -1.011 1.00 0.00 C ATOM 1287 C GLU A 80 8.739 -14.523 -1.105 1.00 0.00 C ATOM 1288 O GLU A 80 9.363 -14.751 -2.147 1.00 0.00 O ATOM 1289 CB GLU A 80 6.549 -15.394 -2.208 1.00 0.00 C ATOM 1290 CG GLU A 80 5.043 -15.631 -1.971 1.00 0.00 C ATOM 1291 CD GLU A 80 4.759 -16.504 -0.742 1.00 0.00 C ATOM 1292 OE1 GLU A 80 4.725 -17.754 -0.874 1.00 0.00 O ATOM 1293 OE2 GLU A 80 4.570 -15.951 0.368 1.00 0.00 O ATOM 0 H GLU A 80 5.691 -13.555 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 80 7.079 -15.340 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.685 -14.798 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.045 -16.349 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.544 -14.669 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.612 -16.104 -2.853 1.00 0.00 H new ATOM 1300 N GLY A 81 9.360 -14.163 0.024 1.00 0.00 N ATOM 1301 CA GLY A 81 10.808 -14.170 0.185 1.00 0.00 C ATOM 1302 C GLY A 81 11.422 -12.805 0.440 1.00 0.00 C ATOM 1303 O GLY A 81 12.646 -12.709 0.509 1.00 0.00 O ATOM 0 H GLY A 81 8.860 -13.856 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.065 -14.830 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.258 -14.595 -0.712 1.00 0.00 H new ATOM 1307 N GLU A 82 10.633 -11.739 0.543 1.00 0.00 N ATOM 1308 CA GLU A 82 11.074 -10.438 0.044 1.00 0.00 C ATOM 1309 C GLU A 82 10.814 -9.399 1.133 1.00 0.00 C ATOM 1310 O GLU A 82 10.287 -8.314 0.918 1.00 0.00 O ATOM 1311 CB GLU A 82 10.328 -10.191 -1.273 1.00 0.00 C ATOM 1312 CG GLU A 82 10.921 -9.089 -2.142 1.00 0.00 C ATOM 1313 CD GLU A 82 12.228 -9.476 -2.825 1.00 0.00 C ATOM 1314 OE1 GLU A 82 13.291 -9.362 -2.175 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.214 -9.790 -4.038 1.00 0.00 O ATOM 0 H GLU A 82 9.702 -11.747 0.959 1.00 0.00 H new ATOM 0 HA GLU A 82 12.141 -10.384 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.313 -11.118 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.292 -9.939 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.193 -8.810 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.092 -8.206 -1.526 1.00 0.00 H new ATOM 1322 N GLU A 83 11.073 -9.807 2.369 1.00 0.00 N ATOM 1323 CA GLU A 83 10.223 -9.434 3.480 1.00 0.00 C ATOM 1324 C GLU A 83 10.627 -8.074 4.079 1.00 0.00 C ATOM 1325 O GLU A 83 11.172 -8.028 5.175 1.00 0.00 O ATOM 1326 CB GLU A 83 10.254 -10.617 4.466 1.00 0.00 C ATOM 1327 CG GLU A 83 8.974 -10.762 5.295 1.00 0.00 C ATOM 1328 CD GLU A 83 9.150 -10.318 6.757 1.00 0.00 C ATOM 1329 OE1 GLU A 83 9.558 -11.154 7.594 1.00 0.00 O ATOM 1330 OE2 GLU A 83 8.933 -9.130 7.094 1.00 0.00 O ATOM 0 H GLU A 83 11.866 -10.396 2.622 1.00 0.00 H new ATOM 0 HA GLU A 83 9.192 -9.265 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.422 -11.539 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.101 -10.494 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.181 -10.172 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.650 -11.803 5.274 1.00 0.00 H new ATOM 1337 N LYS A 84 10.449 -6.961 3.352 1.00 0.00 N ATOM 1338 CA LYS A 84 10.839 -5.613 3.805 1.00 0.00 C ATOM 1339 C LYS A 84 9.885 -4.511 3.317 1.00 0.00 C ATOM 1340 O LYS A 84 10.300 -3.362 3.110 1.00 0.00 O ATOM 1341 CB LYS A 84 12.280 -5.367 3.289 1.00 0.00 C ATOM 1342 CG LYS A 84 13.367 -5.865 4.249 1.00 0.00 C ATOM 1343 CD LYS A 84 14.338 -6.868 3.611 1.00 0.00 C ATOM 1344 CE LYS A 84 13.685 -8.243 3.441 1.00 0.00 C ATOM 1345 NZ LYS A 84 14.597 -9.240 2.845 1.00 0.00 N ATOM 0 H LYS A 84 10.026 -6.969 2.424 1.00 0.00 H new ATOM 0 HA LYS A 84 10.789 -5.569 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.402 -5.863 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.419 -4.300 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.932 -5.010 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.892 -6.331 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.664 -6.495 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.229 -6.960 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.347 -8.602 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.800 -8.145 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.103 -10.151 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.901 -8.915 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.430 -9.358 3.456 1.00 0.00 H new ATOM 1359 N PHE A 85 8.582 -4.797 3.262 1.00 0.00 N ATOM 1360 CA PHE A 85 7.555 -3.807 2.884 1.00 0.00 C ATOM 1361 C PHE A 85 6.121 -4.206 3.239 1.00 0.00 C ATOM 1362 O PHE A 85 5.174 -3.912 2.514 1.00 0.00 O ATOM 1363 CB PHE A 85 7.695 -3.419 1.395 1.00 0.00 C ATOM 1364 CG PHE A 85 7.524 -4.577 0.425 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.618 -5.401 0.101 1.00 0.00 C ATOM 1366 CD2 PHE A 85 6.262 -4.851 -0.137 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.429 -6.513 -0.733 1.00 0.00 C ATOM 1368 CE2 PHE A 85 6.074 -5.970 -0.963 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.159 -6.812 -1.247 1.00 0.00 C ATOM 0 H PHE A 85 8.203 -5.719 3.477 1.00 0.00 H new ATOM 0 HA PHE A 85 7.750 -2.928 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.956 -2.653 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.677 -2.973 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.599 -5.178 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.431 -4.193 0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.269 -7.145 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.099 -6.181 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.017 -7.689 -1.861 1.00 0.00 H new ATOM 1379 N ILE A 86 5.956 -4.828 4.399 1.00 0.00 N ATOM 1380 CA ILE A 86 4.747 -5.553 4.768 1.00 0.00 C ATOM 1381 C ILE A 86 3.711 -4.612 5.420 1.00 0.00 C ATOM 1382 O ILE A 86 3.937 -3.404 5.523 1.00 0.00 O ATOM 1383 CB ILE A 86 5.138 -6.741 5.674 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.572 -7.290 5.488 1.00 0.00 C ATOM 1385 CG2 ILE A 86 4.183 -7.908 5.411 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.962 -7.754 4.071 1.00 0.00 C ATOM 0 H ILE A 86 6.673 -4.843 5.124 1.00 0.00 H new ATOM 0 HA ILE A 86 4.261 -5.951 3.877 1.00 0.00 H new ATOM 0 HB ILE A 86 5.080 -6.340 6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.274 -6.516 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.704 -8.131 6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.454 -8.750 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.161 -7.599 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.253 -8.207 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.990 -8.116 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.297 -8.557 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.875 -6.918 3.378 1.00 0.00 H new ATOM 1398 N GLY A 87 2.599 -5.143 5.933 1.00 0.00 N ATOM 1399 CA GLY A 87 1.900 -4.610 7.092 1.00 0.00 C ATOM 1400 C GLY A 87 0.829 -5.569 7.546 1.00 0.00 C ATOM 1401 O GLY A 87 0.735 -6.664 6.950 1.00 0.00 O ATOM 0 H GLY A 87 2.154 -5.973 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.607 -4.435 7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.454 -3.647 6.844 1.00 0.00 H new TER 1405 GLY A 87