USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 529 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 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 36 CYS SG : rot -74:sc= 0.444 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.109 X(o=2,f=1.9) USER MOD Set 2.3: A 47 CYS SG : rot 76:sc= 1.46 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.842 (180deg=0.183) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0896 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0553 (180deg=-0.335) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.774 K(o=-0.77,f=-5.4!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.00095) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= -0.317 (180deg=-2.65!) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= -0.0177 (180deg=-0.133) USER MOD Single : A 24 CYS SG : rot -21:sc= 0.0281 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.108 (180deg=-0.425) USER MOD Single : A 35 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 42 GLN : amide:sc= -0.906 K(o=-0.91,f=-5.5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0812 (180deg=-0.529) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= -0.77 (180deg=-0.826) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0868 (180deg=-0.427) USER MOD Single : A 54 TYR OH : rot -146:sc= 0.511 USER MOD Single : A 57 CYS SG : rot 81:sc= 0.106 USER MOD Single : A 58 MET CE :methyl -157:sc= 0 (180deg=-0.79) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0796 (180deg=-0.448) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.157 -19.543 -24.824 1.00 0.00 N ATOM 2 CA MET A 1 13.631 -18.245 -24.278 1.00 0.00 C ATOM 3 C MET A 1 12.544 -17.181 -24.392 1.00 0.00 C ATOM 4 O MET A 1 12.766 -16.016 -24.062 1.00 0.00 O ATOM 5 CB MET A 1 14.887 -17.780 -25.020 1.00 0.00 C ATOM 6 CG MET A 1 16.073 -18.721 -24.871 1.00 0.00 C ATOM 7 SD MET A 1 15.910 -20.213 -25.869 1.00 0.00 S ATOM 8 CE MET A 1 17.404 -21.090 -25.413 1.00 0.00 C ATOM 0 H1 MET A 1 13.966 -20.186 -24.941 1.00 0.00 H new ATOM 0 H2 MET A 1 12.471 -19.966 -24.167 1.00 0.00 H new ATOM 0 H3 MET A 1 12.702 -19.386 -25.746 1.00 0.00 H new ATOM 0 HA MET A 1 13.871 -18.390 -23.225 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.653 -17.671 -26.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.170 -16.793 -24.653 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.985 -18.197 -25.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.180 -19.000 -23.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.448 -22.037 -25.950 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.274 -20.486 -25.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.401 -21.281 -24.340 1.00 0.00 H new ATOM 20 N THR A 2 11.371 -17.591 -24.862 1.00 0.00 N ATOM 21 CA THR A 2 10.249 -16.676 -25.022 1.00 0.00 C ATOM 22 C THR A 2 8.982 -17.250 -24.396 1.00 0.00 C ATOM 23 O THR A 2 8.276 -16.564 -23.658 1.00 0.00 O ATOM 24 CB THR A 2 9.982 -16.371 -26.506 1.00 0.00 C ATOM 25 OG1 THR A 2 9.655 -17.578 -27.205 1.00 0.00 O ATOM 26 CG2 THR A 2 11.197 -15.720 -27.150 1.00 0.00 C ATOM 0 H THR A 2 11.173 -18.553 -25.139 1.00 0.00 H new ATOM 0 HA THR A 2 10.517 -15.751 -24.512 1.00 0.00 H new ATOM 0 HB THR A 2 9.142 -15.679 -26.566 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.485 -17.374 -28.148 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.986 -15.513 -28.199 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.426 -14.787 -26.635 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.051 -16.393 -27.078 1.00 0.00 H new ATOM 34 N GLU A 3 8.702 -18.515 -24.697 1.00 0.00 N ATOM 35 CA GLU A 3 7.523 -19.186 -24.164 1.00 0.00 C ATOM 36 C GLU A 3 7.747 -19.601 -22.713 1.00 0.00 C ATOM 37 O GLU A 3 8.824 -19.385 -22.157 1.00 0.00 O ATOM 38 CB GLU A 3 7.180 -20.410 -25.014 1.00 0.00 C ATOM 39 CG GLU A 3 8.308 -21.424 -25.106 1.00 0.00 C ATOM 40 CD GLU A 3 8.000 -22.551 -26.073 1.00 0.00 C ATOM 41 OE1 GLU A 3 7.332 -23.522 -25.659 1.00 0.00 O ATOM 42 OE2 GLU A 3 8.427 -22.463 -27.243 1.00 0.00 O ATOM 0 H GLU A 3 9.277 -19.095 -25.308 1.00 0.00 H new ATOM 0 HA GLU A 3 6.687 -18.487 -24.198 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.299 -20.897 -24.596 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.916 -20.081 -26.019 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.221 -20.919 -25.421 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.499 -21.840 -24.117 1.00 0.00 H new ATOM 49 N THR A 4 6.727 -20.199 -22.107 1.00 0.00 N ATOM 50 CA THR A 4 6.817 -20.639 -20.718 1.00 0.00 C ATOM 51 C THR A 4 6.282 -22.056 -20.545 1.00 0.00 C ATOM 52 O THR A 4 5.402 -22.495 -21.287 1.00 0.00 O ATOM 53 CB THR A 4 6.045 -19.694 -19.779 1.00 0.00 C ATOM 54 OG1 THR A 4 4.692 -19.551 -20.229 1.00 0.00 O ATOM 55 CG2 THR A 4 6.713 -18.329 -19.716 1.00 0.00 C ATOM 0 H THR A 4 5.830 -20.390 -22.554 1.00 0.00 H new ATOM 0 HA THR A 4 7.874 -20.622 -20.454 1.00 0.00 H new ATOM 0 HB THR A 4 6.049 -20.128 -18.779 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.208 -18.950 -19.625 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.150 -17.679 -19.047 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.731 -18.439 -19.343 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.737 -17.890 -20.713 1.00 0.00 H new ATOM 63 N ASP A 5 6.822 -22.768 -19.560 1.00 0.00 N ATOM 64 CA ASP A 5 6.401 -24.137 -19.281 1.00 0.00 C ATOM 65 C ASP A 5 6.486 -24.433 -17.786 1.00 0.00 C ATOM 66 O ASP A 5 7.571 -24.656 -17.248 1.00 0.00 O ATOM 67 CB ASP A 5 7.266 -25.132 -20.058 1.00 0.00 C ATOM 68 CG ASP A 5 7.169 -24.938 -21.559 1.00 0.00 C ATOM 69 OD1 ASP A 5 6.283 -25.560 -22.183 1.00 0.00 O ATOM 70 OD2 ASP A 5 7.978 -24.163 -22.110 1.00 0.00 O ATOM 0 H ASP A 5 7.553 -22.419 -18.941 1.00 0.00 H new ATOM 0 HA ASP A 5 5.364 -24.244 -19.601 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.305 -25.025 -19.748 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.961 -26.148 -19.806 1.00 0.00 H new ATOM 75 N LYS A 6 5.335 -24.429 -17.121 1.00 0.00 N ATOM 76 CA LYS A 6 5.278 -24.695 -15.687 1.00 0.00 C ATOM 77 C LYS A 6 4.324 -25.847 -15.385 1.00 0.00 C ATOM 78 O LYS A 6 3.394 -26.110 -16.148 1.00 0.00 O ATOM 79 CB LYS A 6 4.833 -23.440 -14.932 1.00 0.00 C ATOM 80 CG LYS A 6 5.714 -22.225 -15.188 1.00 0.00 C ATOM 81 CD LYS A 6 7.113 -22.413 -14.621 1.00 0.00 C ATOM 82 CE LYS A 6 7.103 -22.444 -13.100 1.00 0.00 C ATOM 83 NZ LYS A 6 8.470 -22.627 -12.538 1.00 0.00 N ATOM 0 H LYS A 6 4.429 -24.245 -17.552 1.00 0.00 H new ATOM 0 HA LYS A 6 6.277 -24.977 -15.355 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.808 -23.201 -15.216 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.826 -23.654 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.778 -22.042 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.256 -21.343 -14.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.538 -23.342 -15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.757 -21.603 -14.964 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.676 -21.515 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.459 -23.254 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.419 -22.643 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.868 -23.525 -12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.079 -21.841 -12.843 1.00 0.00 H new ATOM 97 N LYS A 7 4.562 -26.531 -14.269 1.00 0.00 N ATOM 98 CA LYS A 7 3.723 -27.653 -13.864 1.00 0.00 C ATOM 99 C LYS A 7 2.299 -27.192 -13.574 1.00 0.00 C ATOM 100 O LYS A 7 2.023 -26.635 -12.511 1.00 0.00 O ATOM 101 CB LYS A 7 4.308 -28.338 -12.628 1.00 0.00 C ATOM 102 CG LYS A 7 5.667 -28.980 -12.866 1.00 0.00 C ATOM 103 CD LYS A 7 5.589 -30.120 -13.873 1.00 0.00 C ATOM 104 CE LYS A 7 4.724 -31.263 -13.363 1.00 0.00 C ATOM 105 NZ LYS A 7 5.226 -31.810 -12.073 1.00 0.00 N ATOM 0 H LYS A 7 5.330 -26.327 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 7 3.696 -28.366 -14.688 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.399 -27.605 -11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.611 -29.102 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.367 -28.226 -13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.061 -29.356 -11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.183 -29.748 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.593 -30.489 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.700 -30.913 -13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.698 -32.058 -14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.778 -32.730 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.258 -31.932 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.994 -31.151 -11.303 1.00 0.00 H new ATOM 119 N GLN A 8 1.401 -27.427 -14.529 1.00 0.00 N ATOM 120 CA GLN A 8 0.000 -27.039 -14.386 1.00 0.00 C ATOM 121 C GLN A 8 -0.131 -25.550 -14.082 1.00 0.00 C ATOM 122 O GLN A 8 -0.027 -25.128 -12.929 1.00 0.00 O ATOM 123 CB GLN A 8 -0.673 -27.859 -13.283 1.00 0.00 C ATOM 124 CG GLN A 8 -2.153 -27.555 -13.119 1.00 0.00 C ATOM 125 CD GLN A 8 -2.798 -28.362 -12.009 1.00 0.00 C ATOM 126 OE1 GLN A 8 -3.289 -29.468 -12.235 1.00 0.00 O ATOM 127 NE2 GLN A 8 -2.803 -27.808 -10.803 1.00 0.00 N ATOM 0 H GLN A 8 1.620 -27.886 -15.413 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.500 -27.240 -15.334 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.550 -28.919 -13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.164 -27.669 -12.338 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.280 -26.493 -12.911 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.668 -27.760 -14.058 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.384 -26.889 -10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.226 -28.302 -10.017 1.00 0.00 H new ATOM 136 N GLU A 9 -0.359 -24.757 -15.123 1.00 0.00 N ATOM 137 CA GLU A 9 -0.502 -23.314 -14.966 1.00 0.00 C ATOM 138 C GLU A 9 -1.957 -22.889 -15.143 1.00 0.00 C ATOM 139 O GLU A 9 -2.584 -23.185 -16.159 1.00 0.00 O ATOM 140 CB GLU A 9 0.384 -22.582 -15.975 1.00 0.00 C ATOM 141 CG GLU A 9 0.321 -21.067 -15.854 1.00 0.00 C ATOM 142 CD GLU A 9 1.243 -20.366 -16.831 1.00 0.00 C ATOM 143 OE1 GLU A 9 0.825 -20.145 -17.987 1.00 0.00 O ATOM 144 OE2 GLU A 9 2.382 -20.036 -16.441 1.00 0.00 O ATOM 0 H GLU A 9 -0.449 -25.088 -16.084 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.187 -23.049 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.416 -22.906 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.087 -22.870 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.703 -20.735 -16.024 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.586 -20.776 -14.837 1.00 0.00 H new ATOM 151 N GLN A 10 -2.487 -22.193 -14.140 1.00 0.00 N ATOM 152 CA GLN A 10 -3.867 -21.724 -14.178 1.00 0.00 C ATOM 153 C GLN A 10 -4.027 -20.445 -13.361 1.00 0.00 C ATOM 154 O GLN A 10 -3.919 -20.466 -12.135 1.00 0.00 O ATOM 155 CB GLN A 10 -4.812 -22.806 -13.650 1.00 0.00 C ATOM 156 CG GLN A 10 -6.263 -22.357 -13.532 1.00 0.00 C ATOM 157 CD GLN A 10 -6.936 -22.162 -14.879 1.00 0.00 C ATOM 158 OE1 GLN A 10 -6.287 -21.831 -15.871 1.00 0.00 O ATOM 159 NE2 GLN A 10 -8.247 -22.365 -14.917 1.00 0.00 N ATOM 0 H GLN A 10 -1.980 -21.942 -13.291 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.123 -21.506 -15.215 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.763 -23.671 -14.311 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.463 -23.133 -12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.821 -23.097 -12.957 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.304 -21.422 -12.973 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.745 -22.639 -14.070 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.756 -22.247 -15.793 1.00 0.00 H new ATOM 168 N GLU A 11 -4.285 -19.335 -14.054 1.00 0.00 N ATOM 169 CA GLU A 11 -4.465 -18.037 -13.408 1.00 0.00 C ATOM 170 C GLU A 11 -3.189 -17.590 -12.699 1.00 0.00 C ATOM 171 O GLU A 11 -2.736 -18.228 -11.749 1.00 0.00 O ATOM 172 CB GLU A 11 -5.628 -18.088 -12.413 1.00 0.00 C ATOM 173 CG GLU A 11 -6.953 -18.484 -13.045 1.00 0.00 C ATOM 174 CD GLU A 11 -8.092 -18.506 -12.046 1.00 0.00 C ATOM 175 OE1 GLU A 11 -8.745 -17.458 -11.866 1.00 0.00 O ATOM 176 OE2 GLU A 11 -8.331 -19.574 -11.442 1.00 0.00 O ATOM 0 H GLU A 11 -4.374 -19.311 -15.070 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.696 -17.309 -14.186 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.387 -18.797 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.737 -17.110 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.192 -17.786 -13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.854 -19.470 -13.499 1.00 0.00 H new ATOM 183 N ASN A 12 -2.617 -16.485 -13.167 1.00 0.00 N ATOM 184 CA ASN A 12 -1.393 -15.950 -12.581 1.00 0.00 C ATOM 185 C ASN A 12 -1.652 -14.603 -11.912 1.00 0.00 C ATOM 186 O ASN A 12 -2.391 -13.770 -12.436 1.00 0.00 O ATOM 187 CB ASN A 12 -0.314 -15.800 -13.655 1.00 0.00 C ATOM 188 CG ASN A 12 0.010 -17.115 -14.335 1.00 0.00 C ATOM 189 OD1 ASN A 12 0.897 -17.850 -13.901 1.00 0.00 O ATOM 190 ND2 ASN A 12 -0.710 -17.418 -15.409 1.00 0.00 N ATOM 0 H ASN A 12 -2.981 -15.943 -13.950 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.047 -16.651 -11.821 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.647 -15.080 -14.402 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.591 -15.395 -13.203 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.537 -18.290 -15.909 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.436 -16.779 -15.734 1.00 0.00 H new ATOM 197 N HIS A 13 -1.036 -14.399 -10.750 1.00 0.00 N ATOM 198 CA HIS A 13 -1.196 -13.155 -10.005 1.00 0.00 C ATOM 199 C HIS A 13 0.156 -12.633 -9.530 1.00 0.00 C ATOM 200 O HIS A 13 0.895 -13.335 -8.840 1.00 0.00 O ATOM 201 CB HIS A 13 -2.123 -13.371 -8.805 1.00 0.00 C ATOM 202 CG HIS A 13 -2.361 -12.133 -7.998 1.00 0.00 C ATOM 203 ND1 HIS A 13 -1.550 -11.751 -6.948 1.00 0.00 N ATOM 204 CD2 HIS A 13 -3.325 -11.187 -8.089 1.00 0.00 C ATOM 205 CE1 HIS A 13 -2.008 -10.627 -6.428 1.00 0.00 C ATOM 206 NE2 HIS A 13 -3.082 -10.263 -7.103 1.00 0.00 N ATOM 0 H HIS A 13 -0.421 -15.080 -10.305 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.641 -12.414 -10.669 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.080 -13.752 -9.161 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -1.695 -14.138 -8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.134 -11.163 -8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -1.577 -10.096 -5.592 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.641 -9.430 -6.921 1.00 0.00 H new ATOM 215 N ALA A 14 0.475 -11.397 -9.904 1.00 0.00 N ATOM 216 CA ALA A 14 1.740 -10.785 -9.514 1.00 0.00 C ATOM 217 C ALA A 14 1.708 -9.270 -9.702 1.00 0.00 C ATOM 218 O ALA A 14 2.220 -8.522 -8.871 1.00 0.00 O ATOM 219 CB ALA A 14 2.884 -11.393 -10.311 1.00 0.00 C ATOM 0 H ALA A 14 -0.124 -10.801 -10.475 1.00 0.00 H new ATOM 0 HA ALA A 14 1.898 -10.985 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.823 -10.928 -10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.932 -12.465 -10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.718 -11.222 -11.375 1.00 0.00 H new ATOM 225 N GLU A 15 1.101 -8.827 -10.800 1.00 0.00 N ATOM 226 CA GLU A 15 1.008 -7.401 -11.100 1.00 0.00 C ATOM 227 C GLU A 15 0.142 -6.679 -10.071 1.00 0.00 C ATOM 228 O GLU A 15 -0.710 -7.289 -9.426 1.00 0.00 O ATOM 229 CB GLU A 15 0.441 -7.186 -12.507 1.00 0.00 C ATOM 230 CG GLU A 15 -1.030 -7.554 -12.647 1.00 0.00 C ATOM 231 CD GLU A 15 -1.296 -9.024 -12.390 1.00 0.00 C ATOM 232 OE1 GLU A 15 -1.163 -9.827 -13.336 1.00 0.00 O ATOM 233 OE2 GLU A 15 -1.640 -9.372 -11.240 1.00 0.00 O ATOM 0 H GLU A 15 0.667 -9.434 -11.496 1.00 0.00 H new ATOM 0 HA GLU A 15 2.014 -6.983 -11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.571 -6.140 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.021 -7.777 -13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.617 -6.956 -11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.370 -7.298 -13.651 1.00 0.00 H new ATOM 240 N CYS A 16 0.371 -5.373 -9.930 1.00 0.00 N ATOM 241 CA CYS A 16 -0.382 -4.549 -8.986 1.00 0.00 C ATOM 242 C CYS A 16 -0.138 -4.997 -7.548 1.00 0.00 C ATOM 243 O CYS A 16 -0.569 -6.077 -7.141 1.00 0.00 O ATOM 244 CB CYS A 16 -1.878 -4.597 -9.305 1.00 0.00 C ATOM 245 SG CYS A 16 -2.298 -4.000 -10.959 1.00 0.00 S ATOM 0 H CYS A 16 1.076 -4.862 -10.461 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.032 -3.522 -9.088 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.228 -5.624 -9.201 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.415 -4.001 -8.568 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.583 -4.081 -11.136 1.00 0.00 H new ATOM 251 N GLU A 17 0.555 -4.160 -6.782 1.00 0.00 N ATOM 252 CA GLU A 17 0.858 -4.471 -5.388 1.00 0.00 C ATOM 253 C GLU A 17 0.810 -3.213 -4.524 1.00 0.00 C ATOM 254 O GLU A 17 -0.037 -3.091 -3.639 1.00 0.00 O ATOM 255 CB GLU A 17 2.238 -5.126 -5.282 1.00 0.00 C ATOM 256 CG GLU A 17 2.587 -5.584 -3.875 1.00 0.00 C ATOM 257 CD GLU A 17 1.613 -6.614 -3.340 1.00 0.00 C ATOM 258 OE1 GLU A 17 1.814 -7.817 -3.606 1.00 0.00 O ATOM 259 OE2 GLU A 17 0.647 -6.217 -2.654 1.00 0.00 O ATOM 0 H GLU A 17 0.917 -3.262 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 17 0.102 -5.166 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.277 -5.983 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.994 -4.419 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.593 -6.004 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.600 -4.721 -3.209 1.00 0.00 H new ATOM 266 N ASP A 18 1.723 -2.283 -4.787 1.00 0.00 N ATOM 267 CA ASP A 18 1.784 -1.036 -4.031 1.00 0.00 C ATOM 268 C ASP A 18 1.583 0.168 -4.947 1.00 0.00 C ATOM 269 O ASP A 18 1.660 0.046 -6.170 1.00 0.00 O ATOM 270 CB ASP A 18 3.127 -0.918 -3.309 1.00 0.00 C ATOM 271 CG ASP A 18 3.373 -2.068 -2.351 1.00 0.00 C ATOM 272 OD1 ASP A 18 2.869 -2.008 -1.210 1.00 0.00 O ATOM 273 OD2 ASP A 18 4.068 -3.028 -2.744 1.00 0.00 O ATOM 0 H ASP A 18 2.430 -2.369 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 18 0.981 -1.049 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.930 -0.884 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.159 0.022 -2.759 1.00 0.00 H new ATOM 278 N LYS A 19 1.329 1.328 -4.342 1.00 0.00 N ATOM 279 CA LYS A 19 1.109 2.565 -5.091 1.00 0.00 C ATOM 280 C LYS A 19 -0.097 2.436 -6.024 1.00 0.00 C ATOM 281 O LYS A 19 -0.023 1.760 -7.050 1.00 0.00 O ATOM 282 CB LYS A 19 2.353 2.939 -5.900 1.00 0.00 C ATOM 283 CG LYS A 19 3.518 3.423 -5.049 1.00 0.00 C ATOM 284 CD LYS A 19 4.305 2.265 -4.453 1.00 0.00 C ATOM 285 CE LYS A 19 5.067 1.499 -5.524 1.00 0.00 C ATOM 286 NZ LYS A 19 5.910 0.418 -4.942 1.00 0.00 N ATOM 0 H LYS A 19 1.270 1.437 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 19 0.907 3.356 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.673 2.072 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.089 3.719 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.181 4.038 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.142 4.058 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.005 2.644 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.624 1.589 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.361 1.066 -6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.698 2.189 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.909 0.596 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.788 0.400 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.623 -0.499 -5.340 1.00 0.00 H new ATOM 300 N PRO A 20 -1.229 3.087 -5.687 1.00 0.00 N ATOM 301 CA PRO A 20 -2.442 3.024 -6.510 1.00 0.00 C ATOM 302 C PRO A 20 -2.302 3.797 -7.820 1.00 0.00 C ATOM 303 O PRO A 20 -2.073 3.206 -8.877 1.00 0.00 O ATOM 304 CB PRO A 20 -3.509 3.662 -5.619 1.00 0.00 C ATOM 305 CG PRO A 20 -2.753 4.581 -4.722 1.00 0.00 C ATOM 306 CD PRO A 20 -1.421 3.928 -4.487 1.00 0.00 C ATOM 0 HA PRO A 20 -2.675 2.003 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.247 4.204 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.051 2.908 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.631 5.562 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.284 4.733 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.626 4.666 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.423 3.331 -3.575 1.00 0.00 H new ATOM 314 N LYS A 21 -2.438 5.118 -7.747 1.00 0.00 N ATOM 315 CA LYS A 21 -2.328 5.967 -8.929 1.00 0.00 C ATOM 316 C LYS A 21 -1.053 6.819 -8.903 1.00 0.00 C ATOM 317 O LYS A 21 -0.312 6.847 -9.887 1.00 0.00 O ATOM 318 CB LYS A 21 -3.560 6.866 -9.063 1.00 0.00 C ATOM 319 CG LYS A 21 -4.857 6.104 -9.286 1.00 0.00 C ATOM 320 CD LYS A 21 -4.865 5.392 -10.630 1.00 0.00 C ATOM 321 CE LYS A 21 -6.195 4.700 -10.887 1.00 0.00 C ATOM 322 NZ LYS A 21 -6.479 3.647 -9.874 1.00 0.00 N ATOM 0 H LYS A 21 -2.625 5.624 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.271 5.309 -9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.656 7.471 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.407 7.554 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.993 5.375 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.699 6.795 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.668 6.111 -11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.060 4.658 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.996 5.439 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.186 4.254 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.313 3.099 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.659 3.013 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.665 4.093 -8.953 1.00 0.00 H new ATOM 336 N PRO A 22 -0.773 7.532 -7.786 1.00 0.00 N ATOM 337 CA PRO A 22 0.421 8.379 -7.674 1.00 0.00 C ATOM 338 C PRO A 22 1.701 7.669 -8.113 1.00 0.00 C ATOM 339 O PRO A 22 2.154 7.841 -9.245 1.00 0.00 O ATOM 340 CB PRO A 22 0.476 8.718 -6.185 1.00 0.00 C ATOM 341 CG PRO A 22 -0.944 8.673 -5.743 1.00 0.00 C ATOM 342 CD PRO A 22 -1.591 7.585 -6.555 1.00 0.00 C ATOM 0 HA PRO A 22 0.357 9.251 -8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.086 8.000 -5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.913 9.702 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.015 8.460 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.436 9.631 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.581 6.632 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.633 7.816 -6.776 1.00 0.00 H new ATOM 350 N CYS A 23 2.276 6.871 -7.214 1.00 0.00 N ATOM 351 CA CYS A 23 3.509 6.143 -7.509 1.00 0.00 C ATOM 352 C CYS A 23 4.596 7.085 -8.027 1.00 0.00 C ATOM 353 O CYS A 23 5.550 6.653 -8.675 1.00 0.00 O ATOM 354 CB CYS A 23 3.240 5.042 -8.540 1.00 0.00 C ATOM 355 SG CYS A 23 4.602 3.870 -8.746 1.00 0.00 S ATOM 0 H CYS A 23 1.908 6.712 -6.276 1.00 0.00 H new ATOM 0 HA CYS A 23 3.861 5.690 -6.582 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.345 4.494 -8.244 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.026 5.506 -9.503 1.00 0.00 H new ATOM 361 N CYS A 24 4.451 8.375 -7.730 1.00 0.00 N ATOM 362 CA CYS A 24 5.417 9.374 -8.174 1.00 0.00 C ATOM 363 C CYS A 24 6.286 9.855 -7.016 1.00 0.00 C ATOM 364 O CYS A 24 7.454 10.193 -7.205 1.00 0.00 O ATOM 365 CB CYS A 24 4.693 10.564 -8.809 1.00 0.00 C ATOM 366 SG CYS A 24 5.799 11.863 -9.413 1.00 0.00 S ATOM 0 H CYS A 24 3.675 8.751 -7.185 1.00 0.00 H new ATOM 0 HA CYS A 24 6.064 8.907 -8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.084 10.205 -9.639 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.011 10.994 -8.076 1.00 0.00 H new ATOM 0 HG CYS A 24 6.951 11.763 -8.818 1.00 0.00 H new ATOM 372 N VAL A 25 5.710 9.884 -5.817 1.00 0.00 N ATOM 373 CA VAL A 25 6.440 10.326 -4.634 1.00 0.00 C ATOM 374 C VAL A 25 7.255 9.182 -4.035 1.00 0.00 C ATOM 375 O VAL A 25 7.134 8.869 -2.850 1.00 0.00 O ATOM 376 CB VAL A 25 5.487 10.884 -3.559 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.260 11.675 -2.514 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.404 11.743 -4.194 1.00 0.00 C ATOM 0 H VAL A 25 4.744 9.608 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 25 7.114 11.121 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 25 5.005 10.043 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.569 12.060 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.991 11.025 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.775 12.507 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.742 12.127 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.865 12.577 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.828 11.141 -4.897 1.00 0.00 H new ATOM 388 N CYS A 26 8.082 8.559 -4.867 1.00 0.00 N ATOM 389 CA CYS A 26 8.920 7.449 -4.428 1.00 0.00 C ATOM 390 C CYS A 26 9.958 7.100 -5.488 1.00 0.00 C ATOM 391 O CYS A 26 9.620 6.617 -6.569 1.00 0.00 O ATOM 392 CB CYS A 26 8.059 6.224 -4.112 1.00 0.00 C ATOM 393 SG CYS A 26 6.997 5.692 -5.476 1.00 0.00 S ATOM 0 H CYS A 26 8.190 8.804 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 26 9.443 7.757 -3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.712 5.398 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.435 6.446 -3.246 1.00 0.00 H new ATOM 399 N LYS A 27 11.224 7.352 -5.172 1.00 0.00 N ATOM 400 CA LYS A 27 12.315 7.066 -6.098 1.00 0.00 C ATOM 401 C LYS A 27 13.501 6.403 -5.386 1.00 0.00 C ATOM 402 O LYS A 27 13.944 5.331 -5.801 1.00 0.00 O ATOM 403 CB LYS A 27 12.767 8.345 -6.811 1.00 0.00 C ATOM 404 CG LYS A 27 11.709 8.933 -7.730 1.00 0.00 C ATOM 405 CD LYS A 27 12.185 10.226 -8.370 1.00 0.00 C ATOM 406 CE LYS A 27 11.125 10.819 -9.283 1.00 0.00 C ATOM 407 NZ LYS A 27 11.571 12.103 -9.891 1.00 0.00 N ATOM 0 H LYS A 27 11.520 7.753 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 27 11.939 6.364 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.043 9.090 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.663 8.130 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.459 8.211 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.797 9.120 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.441 10.946 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.094 10.037 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.887 10.107 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.209 10.985 -8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.820 12.475 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.774 12.791 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.431 11.941 -10.453 1.00 0.00 H new ATOM 421 N PRO A 28 14.040 7.015 -4.305 1.00 0.00 N ATOM 422 CA PRO A 28 15.174 6.440 -3.574 1.00 0.00 C ATOM 423 C PRO A 28 14.772 5.212 -2.766 1.00 0.00 C ATOM 424 O PRO A 28 15.381 4.150 -2.887 1.00 0.00 O ATOM 425 CB PRO A 28 15.614 7.572 -2.645 1.00 0.00 C ATOM 426 CG PRO A 28 14.385 8.383 -2.431 1.00 0.00 C ATOM 427 CD PRO A 28 13.600 8.296 -3.711 1.00 0.00 C ATOM 0 HA PRO A 28 15.961 6.097 -4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 28 16.001 7.184 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.408 8.168 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.806 7.999 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.636 9.418 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.526 8.303 -3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.814 9.137 -4.370 1.00 0.00 H new ATOM 435 N GLU A 29 13.739 5.368 -1.945 1.00 0.00 N ATOM 436 CA GLU A 29 13.248 4.275 -1.115 1.00 0.00 C ATOM 437 C GLU A 29 12.679 3.156 -1.981 1.00 0.00 C ATOM 438 O GLU A 29 12.801 1.976 -1.650 1.00 0.00 O ATOM 439 CB GLU A 29 12.177 4.788 -0.151 1.00 0.00 C ATOM 440 CG GLU A 29 11.681 3.739 0.831 1.00 0.00 C ATOM 441 CD GLU A 29 12.786 3.206 1.722 1.00 0.00 C ATOM 442 OE1 GLU A 29 13.148 3.897 2.696 1.00 0.00 O ATOM 443 OE2 GLU A 29 13.288 2.097 1.444 1.00 0.00 O ATOM 0 H GLU A 29 13.225 6.242 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 29 14.084 3.876 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.579 5.633 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.331 5.161 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.895 4.170 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.234 2.912 0.279 1.00 0.00 H new ATOM 450 N LYS A 30 12.059 3.537 -3.094 1.00 0.00 N ATOM 451 CA LYS A 30 11.469 2.570 -4.014 1.00 0.00 C ATOM 452 C LYS A 30 12.549 1.700 -4.650 1.00 0.00 C ATOM 453 O LYS A 30 12.461 0.473 -4.632 1.00 0.00 O ATOM 454 CB LYS A 30 10.668 3.298 -5.100 1.00 0.00 C ATOM 455 CG LYS A 30 9.878 2.372 -6.016 1.00 0.00 C ATOM 456 CD LYS A 30 10.686 1.951 -7.237 1.00 0.00 C ATOM 457 CE LYS A 30 10.944 3.121 -8.173 1.00 0.00 C ATOM 458 NZ LYS A 30 9.677 3.731 -8.662 1.00 0.00 N ATOM 0 H LYS A 30 11.952 4.510 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 30 10.797 1.923 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.978 3.994 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.353 3.892 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.573 1.486 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.966 2.874 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.637 1.526 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.152 1.167 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.534 3.877 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.536 2.782 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.871 4.304 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.999 2.979 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.274 4.337 -7.919 1.00 0.00 H new ATOM 472 N GLU A 31 13.568 2.347 -5.208 1.00 0.00 N ATOM 473 CA GLU A 31 14.668 1.639 -5.856 1.00 0.00 C ATOM 474 C GLU A 31 15.375 0.703 -4.880 1.00 0.00 C ATOM 475 O GLU A 31 15.593 -0.471 -5.178 1.00 0.00 O ATOM 476 CB GLU A 31 15.669 2.642 -6.438 1.00 0.00 C ATOM 477 CG GLU A 31 16.884 1.993 -7.080 1.00 0.00 C ATOM 478 CD GLU A 31 17.820 3.007 -7.707 1.00 0.00 C ATOM 479 OE1 GLU A 31 18.614 3.621 -6.964 1.00 0.00 O ATOM 480 OE2 GLU A 31 17.758 3.189 -8.941 1.00 0.00 O ATOM 0 H GLU A 31 13.655 3.363 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 31 14.252 1.036 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.162 3.257 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.003 3.311 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.426 1.420 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.555 1.287 -7.843 1.00 0.00 H new ATOM 487 N GLU A 32 15.728 1.231 -3.712 1.00 0.00 N ATOM 488 CA GLU A 32 16.416 0.446 -2.692 1.00 0.00 C ATOM 489 C GLU A 32 15.584 -0.762 -2.273 1.00 0.00 C ATOM 490 O GLU A 32 16.117 -1.851 -2.054 1.00 0.00 O ATOM 491 CB GLU A 32 16.726 1.317 -1.474 1.00 0.00 C ATOM 492 CG GLU A 32 17.711 2.437 -1.761 1.00 0.00 C ATOM 493 CD GLU A 32 17.961 3.321 -0.555 1.00 0.00 C ATOM 494 OE1 GLU A 32 17.131 4.216 -0.293 1.00 0.00 O ATOM 495 OE2 GLU A 32 18.986 3.117 0.129 1.00 0.00 O ATOM 0 H GLU A 32 15.549 2.200 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 32 17.351 0.084 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.797 1.748 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.127 0.687 -0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.656 2.008 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.332 3.047 -2.581 1.00 0.00 H new ATOM 502 N ARG A 33 14.273 -0.563 -2.167 1.00 0.00 N ATOM 503 CA ARG A 33 13.367 -1.636 -1.770 1.00 0.00 C ATOM 504 C ARG A 33 13.397 -2.783 -2.778 1.00 0.00 C ATOM 505 O ARG A 33 13.669 -3.929 -2.418 1.00 0.00 O ATOM 506 CB ARG A 33 11.941 -1.099 -1.631 1.00 0.00 C ATOM 507 CG ARG A 33 10.935 -2.151 -1.195 1.00 0.00 C ATOM 508 CD ARG A 33 9.549 -1.556 -1.019 1.00 0.00 C ATOM 509 NE ARG A 33 8.549 -2.575 -0.713 1.00 0.00 N ATOM 510 CZ ARG A 33 7.266 -2.480 -1.053 1.00 0.00 C ATOM 511 NH1 ARG A 33 6.830 -1.423 -1.725 1.00 0.00 N ATOM 512 NH2 ARG A 33 6.417 -3.445 -0.725 1.00 0.00 N ATOM 0 H ARG A 33 13.815 0.330 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 33 13.701 -2.020 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.938 -0.283 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.625 -0.680 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.898 -2.950 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.261 -2.601 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.571 -0.818 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.263 -1.029 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 33 8.852 -3.409 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.479 -0.679 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.846 -1.354 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.747 -4.262 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.434 -3.370 -0.987 1.00 0.00 H new ATOM 526 N ASP A 34 13.114 -2.467 -4.040 1.00 0.00 N ATOM 527 CA ASP A 34 13.110 -3.472 -5.098 1.00 0.00 C ATOM 528 C ASP A 34 14.447 -4.201 -5.167 1.00 0.00 C ATOM 529 O ASP A 34 14.498 -5.401 -5.443 1.00 0.00 O ATOM 530 CB ASP A 34 12.800 -2.823 -6.449 1.00 0.00 C ATOM 531 CG ASP A 34 11.372 -2.321 -6.534 1.00 0.00 C ATOM 532 OD1 ASP A 34 10.472 -3.138 -6.824 1.00 0.00 O ATOM 533 OD2 ASP A 34 11.152 -1.112 -6.313 1.00 0.00 O ATOM 0 H ASP A 34 12.885 -1.524 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 34 12.333 -4.200 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.485 -1.992 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.976 -3.546 -7.245 1.00 0.00 H new ATOM 538 N THR A 35 15.529 -3.470 -4.914 1.00 0.00 N ATOM 539 CA THR A 35 16.866 -4.050 -4.942 1.00 0.00 C ATOM 540 C THR A 35 17.002 -5.147 -3.894 1.00 0.00 C ATOM 541 O THR A 35 17.449 -6.256 -4.195 1.00 0.00 O ATOM 542 CB THR A 35 17.948 -2.980 -4.697 1.00 0.00 C ATOM 543 OG1 THR A 35 17.855 -1.951 -5.688 1.00 0.00 O ATOM 544 CG2 THR A 35 19.339 -3.597 -4.731 1.00 0.00 C ATOM 0 H THR A 35 15.505 -2.476 -4.688 1.00 0.00 H new ATOM 0 HA THR A 35 17.010 -4.476 -5.935 1.00 0.00 H new ATOM 0 HB THR A 35 17.782 -2.549 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.992 -1.493 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.085 -2.822 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.418 -4.359 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.511 -4.052 -5.706 1.00 0.00 H new ATOM 552 N CYS A 36 16.614 -4.829 -2.663 1.00 0.00 N ATOM 553 CA CYS A 36 16.687 -5.786 -1.566 1.00 0.00 C ATOM 554 C CYS A 36 15.880 -7.040 -1.887 1.00 0.00 C ATOM 555 O CYS A 36 16.336 -8.158 -1.656 1.00 0.00 O ATOM 556 CB CYS A 36 16.173 -5.151 -0.273 1.00 0.00 C ATOM 557 SG CYS A 36 16.247 -6.244 1.165 1.00 0.00 S ATOM 0 H CYS A 36 16.246 -3.915 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 36 17.731 -6.071 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 36 16.756 -4.254 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 36 15.141 -4.833 -0.422 1.00 0.00 H new ATOM 0 HG CYS A 36 15.313 -7.143 1.075 1.00 0.00 H new ATOM 563 N ILE A 37 14.679 -6.843 -2.423 1.00 0.00 N ATOM 564 CA ILE A 37 13.809 -7.958 -2.776 1.00 0.00 C ATOM 565 C ILE A 37 14.363 -8.726 -3.975 1.00 0.00 C ATOM 566 O ILE A 37 14.065 -9.906 -4.162 1.00 0.00 O ATOM 567 CB ILE A 37 12.379 -7.471 -3.094 1.00 0.00 C ATOM 568 CG1 ILE A 37 11.815 -6.686 -1.906 1.00 0.00 C ATOM 569 CG2 ILE A 37 11.474 -8.648 -3.436 1.00 0.00 C ATOM 570 CD1 ILE A 37 10.483 -6.025 -2.186 1.00 0.00 C ATOM 0 H ILE A 37 14.287 -5.922 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 37 13.771 -8.624 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 37 12.420 -6.812 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.704 -7.361 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.535 -5.922 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.471 -8.283 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.870 -9.171 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.433 -9.333 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.149 -5.489 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.592 -5.324 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.748 -6.785 -2.449 1.00 0.00 H new ATOM 582 N LEU A 38 15.179 -8.052 -4.779 1.00 0.00 N ATOM 583 CA LEU A 38 15.773 -8.671 -5.960 1.00 0.00 C ATOM 584 C LEU A 38 16.838 -9.694 -5.565 1.00 0.00 C ATOM 585 O LEU A 38 16.796 -10.845 -6.000 1.00 0.00 O ATOM 586 CB LEU A 38 16.389 -7.598 -6.867 1.00 0.00 C ATOM 587 CG LEU A 38 16.470 -7.949 -8.360 1.00 0.00 C ATOM 588 CD1 LEU A 38 17.387 -9.141 -8.593 1.00 0.00 C ATOM 589 CD2 LEU A 38 15.083 -8.225 -8.923 1.00 0.00 C ATOM 0 H LEU A 38 15.444 -7.078 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 38 14.984 -9.190 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.808 -6.682 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.396 -7.381 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 38 16.891 -7.091 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.426 -9.367 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 38 18.389 -8.904 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.004 -10.006 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.163 -8.472 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.633 -9.062 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.459 -7.340 -8.803 1.00 0.00 H new ATOM 601 N PHE A 39 17.787 -9.270 -4.735 1.00 0.00 N ATOM 602 CA PHE A 39 18.869 -10.149 -4.298 1.00 0.00 C ATOM 603 C PHE A 39 18.430 -11.068 -3.157 1.00 0.00 C ATOM 604 O PHE A 39 18.562 -12.289 -3.253 1.00 0.00 O ATOM 605 CB PHE A 39 20.082 -9.322 -3.866 1.00 0.00 C ATOM 606 CG PHE A 39 20.749 -8.593 -4.999 1.00 0.00 C ATOM 607 CD1 PHE A 39 21.634 -9.251 -5.838 1.00 0.00 C ATOM 608 CD2 PHE A 39 20.495 -7.249 -5.221 1.00 0.00 C ATOM 609 CE1 PHE A 39 22.252 -8.581 -6.878 1.00 0.00 C ATOM 610 CE2 PHE A 39 21.109 -6.574 -6.259 1.00 0.00 C ATOM 611 CZ PHE A 39 21.989 -7.242 -7.089 1.00 0.00 C ATOM 0 H PHE A 39 17.829 -8.326 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 39 19.142 -10.778 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.768 -8.598 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.809 -9.980 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 39 21.843 -10.298 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 39 19.809 -6.722 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 39 22.940 -9.105 -7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.901 -5.527 -6.421 1.00 0.00 H new ATOM 0 HZ PHE A 39 22.470 -6.718 -7.901 1.00 0.00 H new ATOM 621 N ASN A 40 17.912 -10.480 -2.082 1.00 0.00 N ATOM 622 CA ASN A 40 17.468 -11.259 -0.927 1.00 0.00 C ATOM 623 C ASN A 40 16.148 -11.970 -1.212 1.00 0.00 C ATOM 624 O ASN A 40 16.089 -13.200 -1.232 1.00 0.00 O ATOM 625 CB ASN A 40 17.316 -10.353 0.298 1.00 0.00 C ATOM 626 CG ASN A 40 18.624 -9.704 0.701 1.00 0.00 C ATOM 627 OD1 ASN A 40 19.378 -10.247 1.509 1.00 0.00 O ATOM 628 ND2 ASN A 40 18.901 -8.533 0.140 1.00 0.00 N ATOM 0 H ASN A 40 17.789 -9.472 -1.985 1.00 0.00 H new ATOM 0 HA ASN A 40 18.226 -12.015 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.580 -9.578 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.931 -10.938 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 40 19.767 -8.048 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.248 -8.119 -0.525 1.00 0.00 H new ATOM 635 N GLY A 41 15.095 -11.191 -1.432 1.00 0.00 N ATOM 636 CA GLY A 41 13.793 -11.767 -1.712 1.00 0.00 C ATOM 637 C GLY A 41 12.671 -11.041 -1.000 1.00 0.00 C ATOM 638 O GLY A 41 12.911 -10.080 -0.267 1.00 0.00 O ATOM 0 H GLY A 41 15.120 -10.171 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.612 -11.743 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.791 -12.815 -1.412 1.00 0.00 H new ATOM 642 N GLN A 42 11.443 -11.501 -1.215 1.00 0.00 N ATOM 643 CA GLN A 42 10.279 -10.893 -0.585 1.00 0.00 C ATOM 644 C GLN A 42 10.364 -11.011 0.934 1.00 0.00 C ATOM 645 O GLN A 42 9.708 -10.268 1.664 1.00 0.00 O ATOM 646 CB GLN A 42 8.994 -11.553 -1.096 1.00 0.00 C ATOM 647 CG GLN A 42 7.722 -10.945 -0.526 1.00 0.00 C ATOM 648 CD GLN A 42 7.434 -9.557 -1.071 1.00 0.00 C ATOM 649 OE1 GLN A 42 8.346 -8.818 -1.442 1.00 0.00 O ATOM 650 NE2 GLN A 42 6.157 -9.196 -1.116 1.00 0.00 N ATOM 0 H GLN A 42 11.229 -12.293 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 42 10.260 -9.835 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.966 -11.478 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.020 -12.615 -0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.880 -11.600 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.805 -10.893 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.433 -9.841 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.900 -8.274 -1.469 1.00 0.00 H new ATOM 659 N ASP A 43 11.183 -11.949 1.401 1.00 0.00 N ATOM 660 CA ASP A 43 11.359 -12.168 2.832 1.00 0.00 C ATOM 661 C ASP A 43 12.796 -12.577 3.144 1.00 0.00 C ATOM 662 O ASP A 43 13.639 -11.730 3.438 1.00 0.00 O ATOM 663 CB ASP A 43 10.388 -13.238 3.335 1.00 0.00 C ATOM 664 CG ASP A 43 8.936 -12.839 3.151 1.00 0.00 C ATOM 665 OD1 ASP A 43 8.385 -12.176 4.055 1.00 0.00 O ATOM 666 OD2 ASP A 43 8.351 -13.188 2.105 1.00 0.00 O ATOM 0 H ASP A 43 11.735 -12.569 0.809 1.00 0.00 H new ATOM 0 HA ASP A 43 11.146 -11.231 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.575 -14.172 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.578 -13.428 4.391 1.00 0.00 H new ATOM 671 N SER A 44 13.065 -13.880 3.069 1.00 0.00 N ATOM 672 CA SER A 44 14.398 -14.413 3.342 1.00 0.00 C ATOM 673 C SER A 44 14.881 -14.006 4.734 1.00 0.00 C ATOM 674 O SER A 44 14.688 -14.737 5.706 1.00 0.00 O ATOM 675 CB SER A 44 15.393 -13.942 2.278 1.00 0.00 C ATOM 676 OG SER A 44 16.689 -14.463 2.524 1.00 0.00 O ATOM 0 H SER A 44 12.374 -14.588 2.820 1.00 0.00 H new ATOM 0 HA SER A 44 14.336 -15.501 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.052 -14.258 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.431 -12.853 2.269 1.00 0.00 H new ATOM 0 HG SER A 44 17.305 -14.149 1.830 1.00 0.00 H new ATOM 682 N GLU A 45 15.506 -12.834 4.821 1.00 0.00 N ATOM 683 CA GLU A 45 16.015 -12.327 6.091 1.00 0.00 C ATOM 684 C GLU A 45 15.198 -11.120 6.553 1.00 0.00 C ATOM 685 O GLU A 45 15.749 -10.125 7.025 1.00 0.00 O ATOM 686 CB GLU A 45 17.492 -11.944 5.948 1.00 0.00 C ATOM 687 CG GLU A 45 18.196 -11.703 7.275 1.00 0.00 C ATOM 688 CD GLU A 45 18.156 -12.915 8.186 1.00 0.00 C ATOM 689 OE1 GLU A 45 19.032 -13.793 8.043 1.00 0.00 O ATOM 690 OE2 GLU A 45 17.249 -12.985 9.040 1.00 0.00 O ATOM 0 H GLU A 45 15.672 -12.218 4.025 1.00 0.00 H new ATOM 0 HA GLU A 45 15.924 -13.112 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.013 -12.736 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.567 -11.043 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.234 -11.429 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.730 -10.857 7.781 1.00 0.00 H new ATOM 697 N LYS A 46 13.877 -11.222 6.417 1.00 0.00 N ATOM 698 CA LYS A 46 12.977 -10.143 6.814 1.00 0.00 C ATOM 699 C LYS A 46 13.294 -8.860 6.055 1.00 0.00 C ATOM 700 O LYS A 46 14.052 -8.014 6.532 1.00 0.00 O ATOM 701 CB LYS A 46 13.065 -9.893 8.319 1.00 0.00 C ATOM 702 CG LYS A 46 12.523 -11.038 9.157 1.00 0.00 C ATOM 703 CD LYS A 46 11.020 -11.190 8.992 1.00 0.00 C ATOM 704 CE LYS A 46 10.465 -12.253 9.926 1.00 0.00 C ATOM 705 NZ LYS A 46 10.783 -11.959 11.351 1.00 0.00 N ATOM 0 H LYS A 46 13.407 -12.042 6.034 1.00 0.00 H new ATOM 0 HA LYS A 46 11.961 -10.450 6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.106 -9.717 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.514 -8.984 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.017 -11.966 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.759 -10.864 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.532 -10.236 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.791 -11.454 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.384 -12.318 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.876 -13.225 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.141 -12.497 11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.766 -12.233 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.664 -10.942 11.531 1.00 0.00 H new ATOM 719 N CYS A 47 12.715 -8.726 4.866 1.00 0.00 N ATOM 720 CA CYS A 47 12.936 -7.546 4.038 1.00 0.00 C ATOM 721 C CYS A 47 11.723 -6.624 4.073 1.00 0.00 C ATOM 722 O CYS A 47 11.641 -5.662 3.308 1.00 0.00 O ATOM 723 CB CYS A 47 13.237 -7.960 2.597 1.00 0.00 C ATOM 724 SG CYS A 47 14.697 -9.012 2.422 1.00 0.00 S ATOM 0 H CYS A 47 12.090 -9.419 4.455 1.00 0.00 H new ATOM 0 HA CYS A 47 13.792 -7.004 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.372 -8.487 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.374 -7.063 1.993 1.00 0.00 H new ATOM 0 HG CYS A 47 14.413 -10.217 2.818 1.00 0.00 H new ATOM 730 N LYS A 48 10.784 -6.920 4.967 1.00 0.00 N ATOM 731 CA LYS A 48 9.575 -6.116 5.101 1.00 0.00 C ATOM 732 C LYS A 48 9.872 -4.812 5.836 1.00 0.00 C ATOM 733 O LYS A 48 9.012 -3.938 5.942 1.00 0.00 O ATOM 734 CB LYS A 48 8.489 -6.900 5.839 1.00 0.00 C ATOM 735 CG LYS A 48 8.882 -7.317 7.248 1.00 0.00 C ATOM 736 CD LYS A 48 7.811 -8.182 7.898 1.00 0.00 C ATOM 737 CE LYS A 48 6.518 -7.410 8.114 1.00 0.00 C ATOM 738 NZ LYS A 48 6.708 -6.255 9.035 1.00 0.00 N ATOM 0 H LYS A 48 10.838 -7.711 5.609 1.00 0.00 H new ATOM 0 HA LYS A 48 9.215 -5.876 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.586 -6.292 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.242 -7.791 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.823 -7.866 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.051 -6.429 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.615 -9.051 7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.176 -8.555 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.145 -7.052 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.760 -8.079 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.797 -5.775 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.072 -6.595 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.387 -5.587 8.618 1.00 0.00 H new ATOM 752 N GLU A 49 11.096 -4.694 6.343 1.00 0.00 N ATOM 753 CA GLU A 49 11.514 -3.500 7.067 1.00 0.00 C ATOM 754 C GLU A 49 11.344 -2.258 6.195 1.00 0.00 C ATOM 755 O GLU A 49 10.851 -1.227 6.654 1.00 0.00 O ATOM 756 CB GLU A 49 12.974 -3.638 7.508 1.00 0.00 C ATOM 757 CG GLU A 49 13.296 -2.907 8.802 1.00 0.00 C ATOM 758 CD GLU A 49 12.995 -1.424 8.730 1.00 0.00 C ATOM 759 OE1 GLU A 49 13.793 -0.685 8.117 1.00 0.00 O ATOM 760 OE2 GLU A 49 11.959 -1.004 9.289 1.00 0.00 O ATOM 0 H GLU A 49 11.816 -5.412 6.265 1.00 0.00 H new ATOM 0 HA GLU A 49 10.885 -3.391 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.208 -4.695 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.620 -3.258 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.723 -3.350 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.350 -3.048 9.041 1.00 0.00 H new ATOM 767 N PHE A 50 11.751 -2.370 4.933 1.00 0.00 N ATOM 768 CA PHE A 50 11.641 -1.262 3.990 1.00 0.00 C ATOM 769 C PHE A 50 10.179 -0.919 3.728 1.00 0.00 C ATOM 770 O PHE A 50 9.836 0.239 3.494 1.00 0.00 O ATOM 771 CB PHE A 50 12.339 -1.610 2.673 1.00 0.00 C ATOM 772 CG PHE A 50 13.832 -1.732 2.792 1.00 0.00 C ATOM 773 CD1 PHE A 50 14.406 -2.822 3.428 1.00 0.00 C ATOM 774 CD2 PHE A 50 14.662 -0.754 2.270 1.00 0.00 C ATOM 775 CE1 PHE A 50 15.780 -2.933 3.539 1.00 0.00 C ATOM 776 CE2 PHE A 50 16.035 -0.860 2.376 1.00 0.00 C ATOM 777 CZ PHE A 50 16.595 -1.950 3.012 1.00 0.00 C ATOM 0 H PHE A 50 12.160 -3.218 4.540 1.00 0.00 H new ATOM 0 HA PHE A 50 12.129 -0.393 4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.936 -2.550 2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.104 -0.844 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.773 -3.593 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.230 0.103 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.215 -3.787 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.670 -0.091 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.668 -2.034 3.097 1.00 0.00 H new ATOM 787 N ILE A 51 9.323 -1.936 3.766 1.00 0.00 N ATOM 788 CA ILE A 51 7.898 -1.746 3.532 1.00 0.00 C ATOM 789 C ILE A 51 7.277 -0.876 4.620 1.00 0.00 C ATOM 790 O ILE A 51 6.627 0.129 4.330 1.00 0.00 O ATOM 791 CB ILE A 51 7.152 -3.093 3.479 1.00 0.00 C ATOM 792 CG1 ILE A 51 7.798 -4.016 2.443 1.00 0.00 C ATOM 793 CG2 ILE A 51 5.679 -2.869 3.157 1.00 0.00 C ATOM 794 CD1 ILE A 51 7.211 -5.412 2.417 1.00 0.00 C ATOM 0 H ILE A 51 9.593 -2.901 3.957 1.00 0.00 H new ATOM 0 HA ILE A 51 7.798 -1.247 2.568 1.00 0.00 H new ATOM 0 HB ILE A 51 7.221 -3.572 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.691 -3.569 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.866 -4.085 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.164 -3.829 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.229 -2.243 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.589 -2.374 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.720 -6.007 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.342 -5.880 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.148 -5.356 2.181 1.00 0.00 H new ATOM 806 N GLU A 52 7.481 -1.272 5.872 1.00 0.00 N ATOM 807 CA GLU A 52 6.944 -0.532 7.007 1.00 0.00 C ATOM 808 C GLU A 52 7.478 0.896 7.025 1.00 0.00 C ATOM 809 O GLU A 52 6.724 1.846 7.229 1.00 0.00 O ATOM 810 CB GLU A 52 7.300 -1.234 8.317 1.00 0.00 C ATOM 811 CG GLU A 52 6.779 -2.660 8.406 1.00 0.00 C ATOM 812 CD GLU A 52 7.160 -3.338 9.707 1.00 0.00 C ATOM 813 OE1 GLU A 52 8.259 -3.930 9.769 1.00 0.00 O ATOM 814 OE2 GLU A 52 6.360 -3.277 10.664 1.00 0.00 O ATOM 0 H GLU A 52 8.015 -2.103 6.126 1.00 0.00 H new ATOM 0 HA GLU A 52 5.859 -0.497 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.384 -1.245 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.898 -0.657 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.693 -2.653 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.171 -3.239 7.570 1.00 0.00 H new ATOM 821 N LYS A 53 8.783 1.038 6.810 1.00 0.00 N ATOM 822 CA LYS A 53 9.419 2.352 6.800 1.00 0.00 C ATOM 823 C LYS A 53 8.850 3.222 5.686 1.00 0.00 C ATOM 824 O LYS A 53 8.685 4.431 5.854 1.00 0.00 O ATOM 825 CB LYS A 53 10.931 2.213 6.630 1.00 0.00 C ATOM 826 CG LYS A 53 11.630 1.632 7.848 1.00 0.00 C ATOM 827 CD LYS A 53 11.528 2.556 9.052 1.00 0.00 C ATOM 828 CE LYS A 53 12.319 3.839 8.843 1.00 0.00 C ATOM 829 NZ LYS A 53 13.758 3.567 8.572 1.00 0.00 N ATOM 0 H LYS A 53 9.420 0.260 6.640 1.00 0.00 H new ATOM 0 HA LYS A 53 9.212 2.833 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.134 1.578 5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.355 3.193 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.190 0.666 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.680 1.454 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.482 2.799 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.897 2.041 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.892 4.397 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.229 4.469 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.312 4.432 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.095 2.815 9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.874 3.264 7.584 1.00 0.00 H new ATOM 843 N TYR A 54 8.554 2.601 4.549 1.00 0.00 N ATOM 844 CA TYR A 54 8.002 3.321 3.408 1.00 0.00 C ATOM 845 C TYR A 54 6.649 3.927 3.761 1.00 0.00 C ATOM 846 O TYR A 54 6.483 5.147 3.755 1.00 0.00 O ATOM 847 CB TYR A 54 7.859 2.377 2.210 1.00 0.00 C ATOM 848 CG TYR A 54 7.261 3.029 0.982 1.00 0.00 C ATOM 849 CD1 TYR A 54 8.058 3.732 0.088 1.00 0.00 C ATOM 850 CD2 TYR A 54 5.901 2.938 0.716 1.00 0.00 C ATOM 851 CE1 TYR A 54 7.518 4.325 -1.037 1.00 0.00 C ATOM 852 CE2 TYR A 54 5.352 3.528 -0.407 1.00 0.00 C ATOM 853 CZ TYR A 54 6.164 4.220 -1.280 1.00 0.00 C ATOM 854 OH TYR A 54 5.622 4.809 -2.400 1.00 0.00 O ATOM 0 H TYR A 54 8.687 1.602 4.394 1.00 0.00 H new ATOM 0 HA TYR A 54 8.685 4.129 3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.841 1.978 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.236 1.531 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.118 3.817 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.262 2.397 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.152 4.868 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.292 3.447 -0.599 1.00 0.00 H new ATOM 0 HH TYR A 54 4.717 5.125 -2.198 1.00 0.00 H new ATOM 864 N LYS A 55 5.692 3.067 4.091 1.00 0.00 N ATOM 865 CA LYS A 55 4.353 3.519 4.447 1.00 0.00 C ATOM 866 C LYS A 55 4.409 4.496 5.615 1.00 0.00 C ATOM 867 O LYS A 55 3.622 5.440 5.686 1.00 0.00 O ATOM 868 CB LYS A 55 3.469 2.323 4.807 1.00 0.00 C ATOM 869 CG LYS A 55 3.398 1.270 3.714 1.00 0.00 C ATOM 870 CD LYS A 55 2.470 0.128 4.098 1.00 0.00 C ATOM 871 CE LYS A 55 2.479 -0.973 3.050 1.00 0.00 C ATOM 872 NZ LYS A 55 1.544 -2.079 3.394 1.00 0.00 N ATOM 0 H LYS A 55 5.818 2.055 4.119 1.00 0.00 H new ATOM 0 HA LYS A 55 3.924 4.031 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.848 1.863 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.462 2.678 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.049 1.728 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.397 0.879 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.775 -0.282 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.455 0.507 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.204 -0.554 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.489 -1.370 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.581 -2.808 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.821 -2.497 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.576 -1.706 3.464 1.00 0.00 H new ATOM 886 N GLU A 56 5.355 4.267 6.521 1.00 0.00 N ATOM 887 CA GLU A 56 5.520 5.116 7.694 1.00 0.00 C ATOM 888 C GLU A 56 5.881 6.545 7.300 1.00 0.00 C ATOM 889 O GLU A 56 5.318 7.505 7.825 1.00 0.00 O ATOM 890 CB GLU A 56 6.599 4.538 8.613 1.00 0.00 C ATOM 891 CG GLU A 56 6.766 5.304 9.916 1.00 0.00 C ATOM 892 CD GLU A 56 7.788 4.668 10.838 1.00 0.00 C ATOM 893 OE1 GLU A 56 7.414 3.748 11.594 1.00 0.00 O ATOM 894 OE2 GLU A 56 8.963 5.089 10.802 1.00 0.00 O ATOM 0 H GLU A 56 6.021 3.497 6.464 1.00 0.00 H new ATOM 0 HA GLU A 56 4.569 5.143 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.353 3.501 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.551 4.530 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.068 6.328 9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.805 5.358 10.427 1.00 0.00 H new ATOM 901 N CYS A 57 6.824 6.678 6.373 1.00 0.00 N ATOM 902 CA CYS A 57 7.268 7.990 5.915 1.00 0.00 C ATOM 903 C CYS A 57 6.367 8.533 4.811 1.00 0.00 C ATOM 904 O CYS A 57 6.484 9.698 4.427 1.00 0.00 O ATOM 905 CB CYS A 57 8.711 7.911 5.412 1.00 0.00 C ATOM 906 SG CYS A 57 9.901 7.373 6.662 1.00 0.00 S ATOM 0 H CYS A 57 7.296 5.893 5.924 1.00 0.00 H new ATOM 0 HA CYS A 57 7.213 8.673 6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.753 7.224 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.009 8.891 5.041 1.00 0.00 H new ATOM 0 HG CYS A 57 9.861 6.078 6.770 1.00 0.00 H new ATOM 912 N MET A 58 5.467 7.695 4.304 1.00 0.00 N ATOM 913 CA MET A 58 4.570 8.113 3.228 1.00 0.00 C ATOM 914 C MET A 58 3.173 8.443 3.744 1.00 0.00 C ATOM 915 O MET A 58 2.373 9.054 3.035 1.00 0.00 O ATOM 916 CB MET A 58 4.490 7.028 2.154 1.00 0.00 C ATOM 917 CG MET A 58 5.799 6.825 1.407 1.00 0.00 C ATOM 918 SD MET A 58 6.349 8.315 0.555 1.00 0.00 S ATOM 919 CE MET A 58 7.948 7.787 -0.058 1.00 0.00 C ATOM 0 H MET A 58 5.339 6.732 4.616 1.00 0.00 H new ATOM 0 HA MET A 58 4.984 9.023 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.195 6.087 2.619 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.709 7.290 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.569 6.508 2.110 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.678 6.020 0.682 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.576 8.660 -0.237 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.425 7.142 0.679 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.817 7.238 -0.990 1.00 0.00 H new ATOM 929 N LYS A 59 2.880 8.040 4.976 1.00 0.00 N ATOM 930 CA LYS A 59 1.574 8.307 5.569 1.00 0.00 C ATOM 931 C LYS A 59 1.578 9.629 6.331 1.00 0.00 C ATOM 932 O LYS A 59 0.522 10.186 6.632 1.00 0.00 O ATOM 933 CB LYS A 59 1.171 7.169 6.498 1.00 0.00 C ATOM 934 CG LYS A 59 1.890 7.201 7.831 1.00 0.00 C ATOM 935 CD LYS A 59 2.167 5.802 8.345 1.00 0.00 C ATOM 936 CE LYS A 59 2.670 5.823 9.779 1.00 0.00 C ATOM 937 NZ LYS A 59 1.658 6.384 10.713 1.00 0.00 N ATOM 0 H LYS A 59 3.525 7.530 5.580 1.00 0.00 H new ATOM 0 HA LYS A 59 0.846 8.380 4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.096 7.214 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.375 6.218 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.829 7.744 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.287 7.744 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.257 5.205 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.906 5.319 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.927 4.810 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.583 6.415 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.877 6.082 11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.676 7.423 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.713 6.040 10.448 1.00 0.00 H new ATOM 951 N GLY A 60 2.774 10.124 6.640 1.00 0.00 N ATOM 952 CA GLY A 60 2.894 11.375 7.366 1.00 0.00 C ATOM 953 C GLY A 60 3.227 12.546 6.461 1.00 0.00 C ATOM 954 O GLY A 60 3.170 13.700 6.885 1.00 0.00 O ATOM 0 H GLY A 60 3.661 9.681 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.959 11.579 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.669 11.277 8.126 1.00 0.00 H new ATOM 958 N TYR A 61 3.579 12.249 5.213 1.00 0.00 N ATOM 959 CA TYR A 61 3.921 13.286 4.246 1.00 0.00 C ATOM 960 C TYR A 61 2.742 13.576 3.322 1.00 0.00 C ATOM 961 O TYR A 61 2.550 14.710 2.882 1.00 0.00 O ATOM 962 CB TYR A 61 5.141 12.864 3.423 1.00 0.00 C ATOM 963 CG TYR A 61 5.613 13.917 2.445 1.00 0.00 C ATOM 964 CD1 TYR A 61 6.381 14.994 2.872 1.00 0.00 C ATOM 965 CD2 TYR A 61 5.294 13.834 1.096 1.00 0.00 C ATOM 966 CE1 TYR A 61 6.816 15.959 1.981 1.00 0.00 C ATOM 967 CE2 TYR A 61 5.726 14.793 0.198 1.00 0.00 C ATOM 968 CZ TYR A 61 6.486 15.853 0.647 1.00 0.00 C ATOM 969 OH TYR A 61 6.919 16.809 -0.244 1.00 0.00 O ATOM 0 H TYR A 61 3.635 11.298 4.848 1.00 0.00 H new ATOM 0 HA TYR A 61 4.161 14.197 4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.958 12.620 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.900 11.954 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.642 15.079 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.698 13.006 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.411 16.791 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.470 14.712 -0.848 1.00 0.00 H new ATOM 0 HH TYR A 61 6.601 16.586 -1.144 1.00 0.00 H new ATOM 979 N GLY A 62 1.956 12.543 3.031 1.00 0.00 N ATOM 980 CA GLY A 62 0.803 12.706 2.163 1.00 0.00 C ATOM 981 C GLY A 62 0.894 11.860 0.908 1.00 0.00 C ATOM 982 O GLY A 62 1.074 12.386 -0.191 1.00 0.00 O ATOM 0 H GLY A 62 2.097 11.595 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.101 12.440 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.709 13.755 1.883 1.00 0.00 H new ATOM 986 N PHE A 63 0.766 10.547 1.072 1.00 0.00 N ATOM 987 CA PHE A 63 0.836 9.626 -0.056 1.00 0.00 C ATOM 988 C PHE A 63 -0.155 8.479 0.115 1.00 0.00 C ATOM 989 O PHE A 63 -0.015 7.656 1.021 1.00 0.00 O ATOM 990 CB PHE A 63 2.256 9.075 -0.199 1.00 0.00 C ATOM 991 CG PHE A 63 2.456 8.233 -1.428 1.00 0.00 C ATOM 992 CD1 PHE A 63 2.727 8.826 -2.650 1.00 0.00 C ATOM 993 CD2 PHE A 63 2.373 6.852 -1.360 1.00 0.00 C ATOM 994 CE1 PHE A 63 2.912 8.056 -3.783 1.00 0.00 C ATOM 995 CE2 PHE A 63 2.556 6.076 -2.490 1.00 0.00 C ATOM 996 CZ PHE A 63 2.827 6.680 -3.703 1.00 0.00 C ATOM 0 H PHE A 63 0.613 10.098 1.975 1.00 0.00 H new ATOM 0 HA PHE A 63 0.573 10.174 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.959 9.908 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.496 8.479 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.795 9.902 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.163 6.376 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.123 8.530 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.487 5.000 -2.425 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.972 6.077 -4.587 1.00 0.00 H new ATOM 1006 N GLU A 64 -1.155 8.432 -0.760 1.00 0.00 N ATOM 1007 CA GLU A 64 -2.171 7.387 -0.706 1.00 0.00 C ATOM 1008 C GLU A 64 -1.635 6.076 -1.275 1.00 0.00 C ATOM 1009 O GLU A 64 -1.061 6.047 -2.364 1.00 0.00 O ATOM 1010 CB GLU A 64 -3.422 7.820 -1.473 1.00 0.00 C ATOM 1011 CG GLU A 64 -3.149 8.218 -2.915 1.00 0.00 C ATOM 1012 CD GLU A 64 -4.406 8.637 -3.652 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -4.790 9.821 -3.544 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -5.006 7.783 -4.337 1.00 0.00 O ATOM 0 H GLU A 64 -1.283 9.106 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.435 7.226 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.145 7.004 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.882 8.661 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.432 9.039 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.688 7.380 -3.438 1.00 0.00 H new ATOM 1021 N VAL A 65 -1.822 4.995 -0.525 1.00 0.00 N ATOM 1022 CA VAL A 65 -1.365 3.677 -0.939 1.00 0.00 C ATOM 1023 C VAL A 65 -2.545 2.711 -1.084 1.00 0.00 C ATOM 1024 O VAL A 65 -3.637 2.989 -0.590 1.00 0.00 O ATOM 1025 CB VAL A 65 -0.365 3.109 0.085 1.00 0.00 C ATOM 1026 CG1 VAL A 65 0.952 3.867 0.029 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -0.954 3.159 1.488 1.00 0.00 C ATOM 0 H VAL A 65 -2.291 5.009 0.380 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.873 3.783 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.168 2.068 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.644 3.449 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.381 3.777 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.776 4.919 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.234 2.754 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.181 4.192 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.869 2.567 1.520 1.00 0.00 H new ATOM 1037 N PRO A 66 -2.347 1.562 -1.765 1.00 0.00 N ATOM 1038 CA PRO A 66 -3.413 0.570 -1.962 1.00 0.00 C ATOM 1039 C PRO A 66 -3.867 -0.064 -0.652 1.00 0.00 C ATOM 1040 O PRO A 66 -5.009 -0.509 -0.531 1.00 0.00 O ATOM 1041 CB PRO A 66 -2.769 -0.489 -2.870 1.00 0.00 C ATOM 1042 CG PRO A 66 -1.561 0.168 -3.445 1.00 0.00 C ATOM 1043 CD PRO A 66 -1.089 1.135 -2.400 1.00 0.00 C ATOM 0 HA PRO A 66 -4.308 1.024 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.500 -1.381 -2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.456 -0.805 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.789 -0.566 -3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.801 0.683 -4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.415 0.663 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.551 1.975 -2.839 1.00 0.00 H new ATOM 1051 N SER A 67 -2.967 -0.104 0.326 1.00 0.00 N ATOM 1052 CA SER A 67 -3.278 -0.685 1.627 1.00 0.00 C ATOM 1053 C SER A 67 -4.098 0.284 2.473 1.00 0.00 C ATOM 1054 O SER A 67 -3.750 1.459 2.601 1.00 0.00 O ATOM 1055 CB SER A 67 -1.990 -1.064 2.361 1.00 0.00 C ATOM 1056 OG SER A 67 -1.160 0.068 2.554 1.00 0.00 O ATOM 0 H SER A 67 -2.017 0.259 0.242 1.00 0.00 H new ATOM 0 HA SER A 67 -3.871 -1.585 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.235 -1.508 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.452 -1.820 1.790 1.00 0.00 H new ATOM 0 HG SER A 67 -0.635 -0.047 3.374 1.00 0.00 H new ATOM 1062 N ALA A 68 -5.188 -0.215 3.048 1.00 0.00 N ATOM 1063 CA ALA A 68 -6.057 0.606 3.884 1.00 0.00 C ATOM 1064 C ALA A 68 -6.087 0.094 5.320 1.00 0.00 C ATOM 1065 O ALA A 68 -6.798 -0.862 5.634 1.00 0.00 O ATOM 1066 CB ALA A 68 -7.465 0.640 3.305 1.00 0.00 C ATOM 0 H ALA A 68 -5.490 -1.184 2.950 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.654 1.619 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.104 1.256 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.435 1.061 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.865 -0.373 3.262 1.00 0.00 H new ATOM 1072 N ASN A 69 -5.309 0.734 6.187 1.00 0.00 N ATOM 1073 CA ASN A 69 -5.246 0.344 7.592 1.00 0.00 C ATOM 1074 C ASN A 69 -6.182 1.204 8.436 1.00 0.00 C ATOM 1075 O ASN A 69 -7.343 0.790 8.639 1.00 0.00 O ATOM 1076 CB ASN A 69 -3.812 0.464 8.114 1.00 0.00 C ATOM 1077 CG ASN A 69 -2.843 -0.422 7.355 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -2.611 -1.571 7.731 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -2.274 0.108 6.279 1.00 0.00 N ATOM 1080 OXT ASN A 69 -5.748 2.286 8.886 1.00 0.00 O ATOM 0 H ASN A 69 -4.713 1.525 5.942 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.566 -0.695 7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.487 1.502 8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.790 0.199 9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.615 -0.442 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.496 1.065 6.004 1.00 0.00 H new TER 1087 ASN A 69 HETATM 1088 CU CU1 A 70 5.971 4.437 -7.045 1.00 0.00 CU