USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 635 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 46 HIS : no HE2:sc= -6.28! C(o=-6.1!,f=-9.7!) USER MOD Set 1.2: A 48 SER OG : rot 109:sc= 0.182 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -7.12! C(o=-8.2!,f=-9.9!) USER MOD Set 2.2: A 43 MET CE :methyl -100:sc= -1.1 (180deg=-3.89!) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 177:sc= 1.91 (180deg=1.89) USER MOD Set 3.2: A 5 HIS : no HE2:sc= -1.29 K(o=0.62,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 177:sc= -1.4 (180deg=-1.41) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.0569! (180deg=-0.471!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 91:sc= 2.77 USER MOD Single : A 11 THR OG1 : rot 163:sc= 0.0393 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -46:sc= 1.28 USER MOD Single : A 23 CYS SG : rot 71:sc= 0.159 USER MOD Single : A 24 ASN : amide:sc= 0.274 X(o=0.27,f=-0.16) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.308 USER MOD Single : A 28 SER OG : rot 174:sc= 0.398 USER MOD Single : A 29 SER OG : rot -84:sc= 0.878 USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= 0.521 (180deg=-1.17!) USER MOD Single : A 38 THR OG1 : rot -20:sc= 1.2 USER MOD Single : A 44 THR OG1 : rot 130:sc= 0.207 USER MOD Single : A 50 SER OG : rot 61:sc= 1.2 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 2.01 (180deg=1.26) USER MOD Single : A 63 SER OG : rot 96:sc= 1.28 USER MOD Single : A 65 SER OG : rot 180:sc= 0.137 USER MOD Single : A 69 ASN : amide:sc= -0.0412 X(o=-0.041,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 50:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -2.53! (180deg=-2.99!) USER MOD Single : A 73 GLN : amide:sc= 0.0801 K(o=0.08,f=-0.54) USER MOD Single : A 78 ASN : amide:sc= 0.112 X(o=0.11,f=-0.3) USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 0.446 (180deg=-0.916!) USER MOD Single : A 81 SER OG : rot 65:sc= 0.457 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 2.04 (180deg=1.92) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.015 -1.099 10.451 1.00 0.00 N ATOM 2 CA MET A 1 -3.268 -1.128 11.906 1.00 0.00 C ATOM 3 C MET A 1 -3.694 0.230 12.411 1.00 0.00 C ATOM 4 O MET A 1 -4.703 0.716 11.917 1.00 0.00 O ATOM 5 CB MET A 1 -2.134 -1.745 12.690 1.00 0.00 C ATOM 6 CG MET A 1 -0.740 -1.236 12.383 1.00 0.00 C ATOM 7 SD MET A 1 0.399 -2.263 13.361 1.00 0.00 S ATOM 8 CE MET A 1 0.445 -3.743 12.336 1.00 0.00 C ATOM 0 H1 MET A 1 -2.941 -2.072 10.092 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.799 -0.612 9.972 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.126 -0.592 10.263 1.00 0.00 H new ATOM 0 HA MET A 1 -4.109 -1.799 12.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.328 -1.587 13.751 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.149 -2.822 12.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.521 -1.317 11.318 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.642 -0.184 12.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.144 -4.461 12.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.550 -4.186 12.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.769 -3.479 11.329 1.00 0.00 H new ATOM 20 N GLU A 2 -2.933 0.883 13.305 1.00 0.00 N ATOM 21 CA GLU A 2 -2.929 2.338 13.302 1.00 0.00 C ATOM 22 C GLU A 2 -2.652 2.801 11.876 1.00 0.00 C ATOM 23 O GLU A 2 -3.270 3.755 11.427 1.00 0.00 O ATOM 24 CB GLU A 2 -1.823 2.933 14.178 1.00 0.00 C ATOM 25 CG GLU A 2 -1.578 2.316 15.556 1.00 0.00 C ATOM 26 CD GLU A 2 -0.371 1.386 15.470 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.564 0.218 15.073 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.775 1.848 15.672 1.00 0.00 O ATOM 0 H GLU A 2 -2.339 0.442 14.007 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.893 2.667 13.688 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.889 2.877 13.618 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.046 3.990 14.322 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.400 3.098 16.294 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.458 1.763 15.884 1.00 0.00 H new ATOM 35 N LEU A 3 -1.717 2.091 11.212 1.00 0.00 N ATOM 36 CA LEU A 3 -0.984 2.296 9.998 1.00 0.00 C ATOM 37 C LEU A 3 0.373 1.784 10.357 1.00 0.00 C ATOM 38 O LEU A 3 0.488 0.571 10.436 1.00 0.00 O ATOM 39 CB LEU A 3 -0.972 3.728 9.581 1.00 0.00 C ATOM 40 CG LEU A 3 -2.162 3.969 8.649 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.386 5.460 8.720 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.911 3.409 7.254 1.00 0.00 C ATOM 0 H LEU A 3 -1.427 1.201 11.617 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.416 1.789 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.036 4.378 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.038 3.967 9.073 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.068 3.441 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.225 5.733 8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.606 5.746 9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.489 5.979 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.779 3.601 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.034 3.891 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.740 2.335 7.319 1.00 0.00 H new ATOM 54 N LYS A 4 1.295 2.680 10.705 1.00 0.00 N ATOM 55 CA LYS A 4 2.696 2.480 11.031 1.00 0.00 C ATOM 56 C LYS A 4 3.507 3.746 10.878 1.00 0.00 C ATOM 57 O LYS A 4 2.990 4.847 10.719 1.00 0.00 O ATOM 58 CB LYS A 4 3.280 1.313 10.237 1.00 0.00 C ATOM 59 CG LYS A 4 3.746 0.303 11.271 1.00 0.00 C ATOM 60 CD LYS A 4 2.684 -0.229 12.278 1.00 0.00 C ATOM 61 CE LYS A 4 3.194 -0.531 13.695 1.00 0.00 C ATOM 62 NZ LYS A 4 2.255 -0.208 14.787 1.00 0.00 N ATOM 0 H LYS A 4 1.047 3.667 10.771 1.00 0.00 H new ATOM 0 HA LYS A 4 2.753 2.216 12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.532 0.878 9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.109 1.642 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.167 -0.552 10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.557 0.755 11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.881 0.505 12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.247 -1.140 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.444 -1.590 13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.118 0.024 13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.669 -0.494 15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.072 0.816 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.361 -0.718 14.638 1.00 0.00 H new ATOM 76 N HIS A 5 4.798 3.522 11.058 1.00 0.00 N ATOM 77 CA HIS A 5 5.914 4.444 11.070 1.00 0.00 C ATOM 78 C HIS A 5 6.962 4.075 10.050 1.00 0.00 C ATOM 79 O HIS A 5 7.874 4.818 9.712 1.00 0.00 O ATOM 80 CB HIS A 5 6.565 4.416 12.452 1.00 0.00 C ATOM 81 CG HIS A 5 5.712 3.824 13.544 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.613 4.395 14.153 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.685 2.482 13.794 1.00 0.00 C ATOM 84 CE1 HIS A 5 3.944 3.409 14.780 1.00 0.00 C ATOM 85 NE2 HIS A 5 4.557 2.231 14.579 1.00 0.00 N ATOM 0 H HIS A 5 5.125 2.569 11.219 1.00 0.00 H new ATOM 0 HA HIS A 5 5.529 5.434 10.828 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.494 3.849 12.389 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.833 5.435 12.732 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.355 5.382 14.132 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.402 1.751 13.449 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.044 3.546 15.361 1.00 0.00 H new ATOM 93 N SER A 6 6.838 2.833 9.669 1.00 0.00 N ATOM 94 CA SER A 6 7.566 2.072 8.769 1.00 0.00 C ATOM 95 C SER A 6 6.662 1.070 8.121 1.00 0.00 C ATOM 96 O SER A 6 5.896 0.377 8.789 1.00 0.00 O ATOM 97 CB SER A 6 8.622 1.324 9.526 1.00 0.00 C ATOM 98 OG SER A 6 8.570 1.394 10.947 1.00 0.00 O ATOM 0 H SER A 6 6.089 2.268 10.070 1.00 0.00 H new ATOM 0 HA SER A 6 8.011 2.720 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.567 0.275 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.596 1.693 9.204 1.00 0.00 H new ATOM 0 HG SER A 6 9.304 0.868 11.328 1.00 0.00 H new ATOM 104 N ILE A 7 7.014 0.847 6.872 1.00 0.00 N ATOM 105 CA ILE A 7 6.676 -0.258 6.001 1.00 0.00 C ATOM 106 C ILE A 7 6.927 -1.627 6.639 1.00 0.00 C ATOM 107 O ILE A 7 6.604 -2.668 6.082 1.00 0.00 O ATOM 108 CB ILE A 7 7.476 0.011 4.703 1.00 0.00 C ATOM 109 CG1 ILE A 7 7.598 -1.145 3.716 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.938 0.484 4.912 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.301 -1.541 3.046 1.00 0.00 C ATOM 0 H ILE A 7 7.614 1.515 6.388 1.00 0.00 H new ATOM 0 HA ILE A 7 5.608 -0.309 5.790 1.00 0.00 H new ATOM 0 HB ILE A 7 6.841 0.797 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.321 -0.874 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.000 -2.012 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.411 0.644 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.942 1.417 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.491 -0.276 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.483 -2.370 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.579 -1.847 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.905 -0.692 2.490 1.00 0.00 H new ATOM 123 N SER A 8 7.501 -1.633 7.830 1.00 0.00 N ATOM 124 CA SER A 8 8.190 -2.723 8.391 1.00 0.00 C ATOM 125 C SER A 8 7.861 -2.915 9.835 1.00 0.00 C ATOM 126 O SER A 8 8.189 -3.977 10.364 1.00 0.00 O ATOM 127 CB SER A 8 9.613 -2.335 8.173 1.00 0.00 C ATOM 128 OG SER A 8 10.282 -1.656 9.221 1.00 0.00 O ATOM 0 H SER A 8 7.483 -0.819 8.445 1.00 0.00 H new ATOM 0 HA SER A 8 7.931 -3.683 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.176 -3.241 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.656 -1.704 7.285 1.00 0.00 H new ATOM 0 HG SER A 8 11.204 -1.463 8.950 1.00 0.00 H new ATOM 134 N ASP A 9 7.222 -1.910 10.460 1.00 0.00 N ATOM 135 CA ASP A 9 6.507 -2.293 11.668 1.00 0.00 C ATOM 136 C ASP A 9 5.166 -2.922 11.290 1.00 0.00 C ATOM 137 O ASP A 9 4.435 -3.365 12.182 1.00 0.00 O ATOM 138 CB ASP A 9 6.292 -1.221 12.751 1.00 0.00 C ATOM 139 CG ASP A 9 6.292 -1.852 14.165 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.839 -2.968 14.355 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.624 -1.282 15.052 1.00 0.00 O ATOM 0 H ASP A 9 7.187 -0.929 10.181 1.00 0.00 H new ATOM 0 HA ASP A 9 7.184 -2.999 12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.078 -0.469 12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.346 -0.709 12.578 1.00 0.00 H new ATOM 146 N TYR A 10 4.828 -2.981 9.990 1.00 0.00 N ATOM 147 CA TYR A 10 3.642 -3.701 9.546 1.00 0.00 C ATOM 148 C TYR A 10 4.052 -4.801 8.566 1.00 0.00 C ATOM 149 O TYR A 10 5.201 -4.873 8.128 1.00 0.00 O ATOM 150 CB TYR A 10 2.525 -2.737 9.090 1.00 0.00 C ATOM 151 CG TYR A 10 2.612 -2.023 7.754 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.601 -2.339 6.813 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.665 -1.028 7.432 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.665 -1.681 5.596 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.763 -0.312 6.220 1.00 0.00 C ATOM 156 CZ TYR A 10 2.803 -0.624 5.317 1.00 0.00 C ATOM 157 OH TYR A 10 3.036 0.051 4.171 1.00 0.00 O ATOM 0 H TYR A 10 5.361 -2.539 9.240 1.00 0.00 H new ATOM 0 HA TYR A 10 3.170 -4.226 10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.594 -3.303 9.090 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.432 -1.969 9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.325 -3.108 7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.859 -0.813 8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.390 -1.990 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.051 0.466 5.986 1.00 0.00 H new ATOM 0 HH TYR A 10 2.515 -0.349 3.444 1.00 0.00 H new ATOM 167 N THR A 11 3.131 -5.694 8.248 1.00 0.00 N ATOM 168 CA THR A 11 3.351 -6.914 7.480 1.00 0.00 C ATOM 169 C THR A 11 2.716 -6.697 6.104 1.00 0.00 C ATOM 170 O THR A 11 2.031 -5.704 5.846 1.00 0.00 O ATOM 171 CB THR A 11 2.753 -8.125 8.252 1.00 0.00 C ATOM 172 OG1 THR A 11 1.563 -8.661 7.701 1.00 0.00 O ATOM 173 CG2 THR A 11 2.442 -7.892 9.739 1.00 0.00 C ATOM 0 H THR A 11 2.157 -5.585 8.532 1.00 0.00 H new ATOM 0 HA THR A 11 4.409 -7.137 7.342 1.00 0.00 H new ATOM 0 HB THR A 11 3.584 -8.822 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.409 -9.558 8.065 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.030 -8.804 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.358 -7.622 10.264 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.717 -7.084 9.837 1.00 0.00 H new ATOM 181 N GLU A 12 2.905 -7.646 5.203 1.00 0.00 N ATOM 182 CA GLU A 12 2.349 -7.513 3.867 1.00 0.00 C ATOM 183 C GLU A 12 0.847 -7.718 3.810 1.00 0.00 C ATOM 184 O GLU A 12 0.236 -7.229 2.869 1.00 0.00 O ATOM 185 CB GLU A 12 3.045 -8.504 2.935 1.00 0.00 C ATOM 186 CG GLU A 12 4.038 -7.725 2.086 1.00 0.00 C ATOM 187 CD GLU A 12 5.167 -8.619 1.541 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.837 -9.758 1.144 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.314 -8.140 1.423 1.00 0.00 O ATOM 0 H GLU A 12 3.431 -8.504 5.368 1.00 0.00 H new ATOM 0 HA GLU A 12 2.527 -6.486 3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.557 -9.275 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.316 -9.010 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.513 -7.258 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.470 -6.921 2.682 1.00 0.00 H new ATOM 196 N ALA A 13 0.259 -8.412 4.783 1.00 0.00 N ATOM 197 CA ALA A 13 -1.187 -8.594 4.874 1.00 0.00 C ATOM 198 C ALA A 13 -1.794 -7.379 5.554 1.00 0.00 C ATOM 199 O ALA A 13 -2.865 -6.931 5.171 1.00 0.00 O ATOM 200 CB ALA A 13 -1.506 -9.874 5.653 1.00 0.00 C ATOM 0 H ALA A 13 0.777 -8.867 5.535 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.614 -8.693 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.587 -10.002 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.069 -10.731 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.090 -9.802 6.658 1.00 0.00 H new ATOM 206 N GLU A 14 -1.049 -6.810 6.494 1.00 0.00 N ATOM 207 CA GLU A 14 -1.289 -5.521 7.105 1.00 0.00 C ATOM 208 C GLU A 14 -1.577 -4.454 6.065 1.00 0.00 C ATOM 209 O GLU A 14 -2.633 -3.829 6.022 1.00 0.00 O ATOM 210 CB GLU A 14 -0.063 -5.175 7.923 1.00 0.00 C ATOM 211 CG GLU A 14 -0.623 -4.991 9.331 1.00 0.00 C ATOM 212 CD GLU A 14 -1.454 -3.717 9.571 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.011 -2.601 9.235 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.538 -3.807 10.188 1.00 0.00 O ATOM 0 H GLU A 14 -0.216 -7.266 6.867 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.172 -5.567 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.682 -5.969 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.420 -4.268 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.244 -5.855 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.210 -4.994 10.034 1.00 0.00 H new ATOM 221 N PHE A 15 -0.607 -4.292 5.181 1.00 0.00 N ATOM 222 CA PHE A 15 -0.635 -3.257 4.182 1.00 0.00 C ATOM 223 C PHE A 15 -1.569 -3.647 3.066 1.00 0.00 C ATOM 224 O PHE A 15 -2.107 -2.773 2.399 1.00 0.00 O ATOM 225 CB PHE A 15 0.764 -3.096 3.624 1.00 0.00 C ATOM 226 CG PHE A 15 1.011 -1.883 2.748 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.436 -0.624 3.027 1.00 0.00 C ATOM 228 CD2 PHE A 15 1.947 -2.001 1.710 1.00 0.00 C ATOM 229 CE1 PHE A 15 0.891 0.518 2.345 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.436 -0.862 1.059 1.00 0.00 C ATOM 231 CZ PHE A 15 1.939 0.400 1.413 1.00 0.00 C ATOM 0 H PHE A 15 0.224 -4.883 5.143 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.981 -2.324 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.462 -3.060 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.005 -3.988 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.351 -0.539 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.294 -2.979 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.439 1.480 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.189 -0.955 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.363 1.288 0.968 1.00 0.00 H new ATOM 241 N LEU A 16 -1.784 -4.949 2.862 1.00 0.00 N ATOM 242 CA LEU A 16 -2.734 -5.367 1.855 1.00 0.00 C ATOM 243 C LEU A 16 -4.114 -4.957 2.283 1.00 0.00 C ATOM 244 O LEU A 16 -4.885 -4.421 1.506 1.00 0.00 O ATOM 245 CB LEU A 16 -2.639 -6.865 1.655 1.00 0.00 C ATOM 246 CG LEU A 16 -3.466 -7.479 0.515 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.716 -6.585 -0.687 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.702 -8.682 -0.089 1.00 0.00 C ATOM 0 H LEU A 16 -1.323 -5.705 3.369 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.510 -4.888 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.592 -7.117 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.936 -7.349 2.585 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.416 -7.710 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.309 -7.125 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.256 -5.692 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.763 -6.295 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.289 -9.117 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.742 -8.345 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.536 -9.433 0.684 1.00 0.00 H new ATOM 260 N GLN A 17 -4.407 -5.145 3.554 1.00 0.00 N ATOM 261 CA GLN A 17 -5.618 -4.761 4.136 1.00 0.00 C ATOM 262 C GLN A 17 -5.733 -3.258 4.066 1.00 0.00 C ATOM 263 O GLN A 17 -6.807 -2.724 3.852 1.00 0.00 O ATOM 264 CB GLN A 17 -5.730 -5.329 5.559 1.00 0.00 C ATOM 265 CG GLN A 17 -6.924 -4.681 6.244 1.00 0.00 C ATOM 266 CD GLN A 17 -7.382 -5.314 7.554 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.003 -6.420 7.927 1.00 0.00 O ATOM 268 NE2 GLN A 17 -8.243 -4.618 8.280 1.00 0.00 N ATOM 0 H GLN A 17 -3.765 -5.589 4.210 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.465 -5.176 3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.853 -6.411 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.817 -5.129 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.681 -3.636 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.763 -4.691 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.553 -3.700 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.597 -5.000 9.157 1.00 0.00 H new ATOM 277 N LEU A 18 -4.625 -2.558 4.218 1.00 0.00 N ATOM 278 CA LEU A 18 -4.707 -1.136 4.192 1.00 0.00 C ATOM 279 C LEU A 18 -5.046 -0.620 2.797 1.00 0.00 C ATOM 280 O LEU A 18 -5.945 0.197 2.626 1.00 0.00 O ATOM 281 CB LEU A 18 -3.443 -0.555 4.744 1.00 0.00 C ATOM 282 CG LEU A 18 -3.636 0.956 4.896 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.918 1.703 3.757 1.00 0.00 C ATOM 284 CD2 LEU A 18 -5.019 1.509 5.267 1.00 0.00 C ATOM 0 H LEU A 18 -3.692 -2.947 4.356 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.528 -0.808 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.206 -1.007 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.606 -0.766 4.079 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.146 1.181 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.064 2.777 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.852 1.476 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.329 1.386 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.971 2.596 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.742 1.222 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.327 1.102 6.230 1.00 0.00 H new ATOM 296 N VAL A 19 -4.384 -1.176 1.788 1.00 0.00 N ATOM 297 CA VAL A 19 -4.701 -0.928 0.377 1.00 0.00 C ATOM 298 C VAL A 19 -6.210 -1.217 0.227 1.00 0.00 C ATOM 299 O VAL A 19 -6.937 -0.438 -0.375 1.00 0.00 O ATOM 300 CB VAL A 19 -3.852 -1.871 -0.438 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.388 -1.890 -1.855 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.417 -1.332 -0.394 1.00 0.00 C ATOM 0 H VAL A 19 -3.604 -1.819 1.923 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.495 0.088 0.041 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.872 -2.890 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.787 -2.567 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.423 -2.231 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.340 -0.886 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.765 -1.986 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.392 -0.328 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.072 -1.299 0.640 1.00 0.00 H new ATOM 312 N THR A 20 -6.701 -2.304 0.834 1.00 0.00 N ATOM 313 CA THR A 20 -8.075 -2.761 0.744 1.00 0.00 C ATOM 314 C THR A 20 -9.028 -1.852 1.534 1.00 0.00 C ATOM 315 O THR A 20 -10.193 -1.812 1.175 1.00 0.00 O ATOM 316 CB THR A 20 -8.138 -4.275 1.091 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.762 -4.976 0.032 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.815 -4.728 2.383 1.00 0.00 C ATOM 0 H THR A 20 -6.123 -2.905 1.421 1.00 0.00 H new ATOM 0 HA THR A 20 -8.441 -2.675 -0.279 1.00 0.00 H new ATOM 0 HB THR A 20 -7.084 -4.502 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.800 -5.931 0.250 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.764 -5.814 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.306 -4.281 3.237 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.858 -4.413 2.377 1.00 0.00 H new ATOM 326 N THR A 21 -8.573 -1.071 2.518 1.00 0.00 N ATOM 327 CA THR A 21 -9.301 0.002 3.187 1.00 0.00 C ATOM 328 C THR A 21 -9.482 1.185 2.223 1.00 0.00 C ATOM 329 O THR A 21 -10.458 1.918 2.330 1.00 0.00 O ATOM 330 CB THR A 21 -8.491 0.390 4.446 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.871 -0.339 5.603 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.352 1.902 4.713 1.00 0.00 C ATOM 0 H THR A 21 -7.629 -1.181 2.888 1.00 0.00 H new ATOM 0 HA THR A 21 -10.300 -0.313 3.487 1.00 0.00 H new ATOM 0 HB THR A 21 -7.478 0.078 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.849 -0.361 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.766 2.059 5.619 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.850 2.376 3.870 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.341 2.342 4.840 1.00 0.00 H new ATOM 340 N ILE A 22 -8.569 1.386 1.275 1.00 0.00 N ATOM 341 CA ILE A 22 -8.551 2.482 0.313 1.00 0.00 C ATOM 342 C ILE A 22 -9.391 2.090 -0.888 1.00 0.00 C ATOM 343 O ILE A 22 -10.280 2.831 -1.295 1.00 0.00 O ATOM 344 CB ILE A 22 -7.135 2.837 -0.177 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.057 2.621 0.890 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.165 4.279 -0.683 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.845 3.509 0.755 1.00 0.00 C ATOM 0 H ILE A 22 -7.779 0.753 1.152 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.950 3.360 0.820 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.856 2.161 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.501 2.783 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.733 1.581 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.174 4.561 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.881 4.363 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.462 4.943 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.138 3.284 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.370 3.333 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.150 4.553 0.824 1.00 0.00 H new ATOM 359 N CYS A 23 -9.159 0.881 -1.405 1.00 0.00 N ATOM 360 CA CYS A 23 -10.086 0.227 -2.298 1.00 0.00 C ATOM 361 C CYS A 23 -11.437 0.011 -1.593 1.00 0.00 C ATOM 362 O CYS A 23 -12.372 -0.382 -2.289 1.00 0.00 O ATOM 363 CB CYS A 23 -9.512 -1.093 -2.857 1.00 0.00 C ATOM 364 SG CYS A 23 -7.845 -0.851 -3.542 1.00 0.00 S ATOM 0 H CYS A 23 -8.319 0.337 -1.209 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.249 0.878 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.477 -1.841 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.173 -1.480 -3.632 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.004 -0.644 -2.573 1.00 0.00 H new ATOM 370 N ASN A 24 -11.557 0.266 -0.269 1.00 0.00 N ATOM 371 CA ASN A 24 -12.894 0.240 0.380 1.00 0.00 C ATOM 372 C ASN A 24 -13.445 1.610 0.820 1.00 0.00 C ATOM 373 O ASN A 24 -14.650 1.711 1.026 1.00 0.00 O ATOM 374 CB ASN A 24 -12.973 -0.816 1.500 1.00 0.00 C ATOM 375 CG ASN A 24 -14.393 -1.029 2.030 1.00 0.00 C ATOM 376 OD1 ASN A 24 -15.288 -1.395 1.275 1.00 0.00 O ATOM 377 ND2 ASN A 24 -14.644 -0.905 3.326 1.00 0.00 N ATOM 0 H ASN A 24 -10.779 0.484 0.353 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.573 -0.066 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.586 -1.764 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.327 -0.512 2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.575 -1.113 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.906 -0.601 3.962 1.00 0.00 H new ATOM 384 N ALA A 25 -12.626 2.673 0.930 1.00 0.00 N ATOM 385 CA ALA A 25 -13.011 3.988 1.485 1.00 0.00 C ATOM 386 C ALA A 25 -13.697 3.821 2.845 1.00 0.00 C ATOM 387 O ALA A 25 -14.552 4.591 3.267 1.00 0.00 O ATOM 388 CB ALA A 25 -13.872 4.728 0.440 1.00 0.00 C ATOM 0 H ALA A 25 -11.652 2.642 0.628 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.131 4.601 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.165 5.701 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.296 4.865 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.764 4.141 0.222 1.00 0.00 H new ATOM 394 N ASP A 26 -13.143 2.866 3.576 1.00 0.00 N ATOM 395 CA ASP A 26 -13.328 2.311 4.924 1.00 0.00 C ATOM 396 C ASP A 26 -13.061 3.301 6.063 1.00 0.00 C ATOM 397 O ASP A 26 -12.873 2.964 7.228 1.00 0.00 O ATOM 398 CB ASP A 26 -12.283 1.229 4.920 1.00 0.00 C ATOM 399 CG ASP A 26 -12.409 0.114 5.940 1.00 0.00 C ATOM 400 OD1 ASP A 26 -13.484 -0.526 5.927 1.00 0.00 O ATOM 401 OD2 ASP A 26 -11.361 -0.228 6.531 1.00 0.00 O ATOM 0 H ASP A 26 -12.383 2.347 3.137 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.356 1.997 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.276 0.776 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.311 1.703 5.061 1.00 0.00 H new ATOM 406 N THR A 27 -12.956 4.548 5.648 1.00 0.00 N ATOM 407 CA THR A 27 -12.302 5.649 6.325 1.00 0.00 C ATOM 408 C THR A 27 -13.199 6.743 6.863 1.00 0.00 C ATOM 409 O THR A 27 -14.420 6.617 6.941 1.00 0.00 O ATOM 410 CB THR A 27 -11.139 6.153 5.475 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.552 7.159 4.574 1.00 0.00 O ATOM 412 CG2 THR A 27 -10.378 5.093 4.714 1.00 0.00 C ATOM 0 H THR A 27 -13.358 4.840 4.757 1.00 0.00 H new ATOM 0 HA THR A 27 -11.909 5.241 7.256 1.00 0.00 H new ATOM 0 HB THR A 27 -10.445 6.556 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.773 7.677 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.575 5.560 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.955 4.374 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.055 4.578 4.032 1.00 0.00 H new ATOM 420 N SER A 28 -12.542 7.838 7.253 1.00 0.00 N ATOM 421 CA SER A 28 -13.204 9.065 7.588 1.00 0.00 C ATOM 422 C SER A 28 -14.110 9.558 6.494 1.00 0.00 C ATOM 423 O SER A 28 -15.101 10.204 6.839 1.00 0.00 O ATOM 424 CB SER A 28 -12.185 10.126 7.938 1.00 0.00 C ATOM 425 OG SER A 28 -11.355 10.458 6.858 1.00 0.00 O ATOM 0 H SER A 28 -11.527 7.881 7.340 1.00 0.00 H new ATOM 0 HA SER A 28 -13.835 8.859 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.703 11.022 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.571 9.775 8.768 1.00 0.00 H new ATOM 0 HG SER A 28 -10.782 11.213 7.106 1.00 0.00 H new ATOM 431 N SER A 29 -13.771 9.222 5.240 1.00 0.00 N ATOM 432 CA SER A 29 -14.730 9.215 4.110 1.00 0.00 C ATOM 433 C SER A 29 -14.171 9.326 2.728 1.00 0.00 C ATOM 434 O SER A 29 -14.610 8.651 1.801 1.00 0.00 O ATOM 435 CB SER A 29 -15.880 10.240 4.180 1.00 0.00 C ATOM 436 OG SER A 29 -15.441 11.519 4.598 1.00 0.00 O ATOM 0 H SER A 29 -12.826 8.946 4.974 1.00 0.00 H new ATOM 0 HA SER A 29 -15.104 8.204 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.349 10.323 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.643 9.878 4.869 1.00 0.00 H new ATOM 0 HG SER A 29 -15.401 11.548 5.577 1.00 0.00 H new ATOM 442 N GLU A 30 -13.201 10.200 2.640 1.00 0.00 N ATOM 443 CA GLU A 30 -12.519 10.572 1.416 1.00 0.00 C ATOM 444 C GLU A 30 -11.105 11.102 1.673 1.00 0.00 C ATOM 445 O GLU A 30 -10.310 11.375 0.779 1.00 0.00 O ATOM 446 CB GLU A 30 -13.301 11.672 0.663 1.00 0.00 C ATOM 447 CG GLU A 30 -14.697 11.312 0.125 1.00 0.00 C ATOM 448 CD GLU A 30 -15.323 12.463 -0.681 1.00 0.00 C ATOM 449 OE1 GLU A 30 -15.045 12.548 -1.900 1.00 0.00 O ATOM 450 OE2 GLU A 30 -16.099 13.248 -0.086 1.00 0.00 O ATOM 0 H GLU A 30 -12.845 10.698 3.456 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.458 9.662 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.409 12.526 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.691 12.002 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.624 10.426 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.351 11.056 0.959 1.00 0.00 H new ATOM 457 N GLU A 31 -10.751 11.127 2.940 1.00 0.00 N ATOM 458 CA GLU A 31 -9.728 11.942 3.516 1.00 0.00 C ATOM 459 C GLU A 31 -8.563 11.156 4.030 1.00 0.00 C ATOM 460 O GLU A 31 -7.470 11.190 3.480 1.00 0.00 O ATOM 461 CB GLU A 31 -10.511 12.665 4.538 1.00 0.00 C ATOM 462 CG GLU A 31 -9.951 13.879 5.251 1.00 0.00 C ATOM 463 CD GLU A 31 -10.501 14.015 6.685 1.00 0.00 C ATOM 464 OE1 GLU A 31 -10.810 12.962 7.302 1.00 0.00 O ATOM 465 OE2 GLU A 31 -10.595 15.166 7.164 1.00 0.00 O ATOM 0 H GLU A 31 -11.208 10.534 3.633 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.215 12.607 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.441 12.978 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.775 11.939 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.864 13.809 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.195 14.777 4.683 1.00 0.00 H new ATOM 472 N GLU A 32 -8.901 10.315 4.989 1.00 0.00 N ATOM 473 CA GLU A 32 -8.145 9.164 5.355 1.00 0.00 C ATOM 474 C GLU A 32 -7.909 8.307 4.133 1.00 0.00 C ATOM 475 O GLU A 32 -7.038 7.470 4.141 1.00 0.00 O ATOM 476 CB GLU A 32 -8.865 8.363 6.354 1.00 0.00 C ATOM 477 CG GLU A 32 -8.609 8.841 7.786 1.00 0.00 C ATOM 478 CD GLU A 32 -7.190 9.068 8.286 1.00 0.00 C ATOM 479 OE1 GLU A 32 -6.627 10.163 8.065 1.00 0.00 O ATOM 480 OE2 GLU A 32 -6.613 8.182 8.950 1.00 0.00 O ATOM 0 H GLU A 32 -9.746 10.432 5.548 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.197 9.498 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.934 8.405 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.564 7.319 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.148 9.780 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.073 8.115 8.454 1.00 0.00 H new ATOM 487 N LEU A 33 -8.668 8.498 3.074 1.00 0.00 N ATOM 488 CA LEU A 33 -8.489 7.810 1.836 1.00 0.00 C ATOM 489 C LEU A 33 -7.311 8.364 1.071 1.00 0.00 C ATOM 490 O LEU A 33 -6.374 7.624 0.824 1.00 0.00 O ATOM 491 CB LEU A 33 -9.804 7.950 1.095 1.00 0.00 C ATOM 492 CG LEU A 33 -10.605 6.704 1.455 1.00 0.00 C ATOM 493 CD1 LEU A 33 -12.050 7.143 1.603 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.338 5.721 0.305 1.00 0.00 C ATOM 0 H LEU A 33 -9.446 9.158 3.062 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.251 6.756 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.330 8.856 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.644 8.017 0.019 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.338 6.212 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.667 6.283 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.124 7.892 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.399 7.570 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.880 4.793 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.674 6.160 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.270 5.512 0.246 1.00 0.00 H new ATOM 506 N VAL A 34 -7.306 9.664 0.789 1.00 0.00 N ATOM 507 CA VAL A 34 -6.159 10.396 0.243 1.00 0.00 C ATOM 508 C VAL A 34 -4.926 10.204 1.127 1.00 0.00 C ATOM 509 O VAL A 34 -3.786 10.180 0.676 1.00 0.00 O ATOM 510 CB VAL A 34 -6.549 11.857 0.078 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.391 12.857 -0.069 1.00 0.00 C ATOM 512 CG2 VAL A 34 -7.489 12.021 -1.117 1.00 0.00 C ATOM 0 H VAL A 34 -8.122 10.258 0.937 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.888 10.005 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.034 12.106 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.792 13.864 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.758 12.814 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.800 12.603 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.761 13.071 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.988 11.681 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.389 11.428 -0.956 1.00 0.00 H new ATOM 522 N LYS A 35 -5.157 10.025 2.416 1.00 0.00 N ATOM 523 CA LYS A 35 -4.151 9.885 3.425 1.00 0.00 C ATOM 524 C LYS A 35 -3.602 8.487 3.397 1.00 0.00 C ATOM 525 O LYS A 35 -2.398 8.331 3.511 1.00 0.00 O ATOM 526 CB LYS A 35 -4.868 10.139 4.707 1.00 0.00 C ATOM 527 CG LYS A 35 -4.010 9.834 5.899 1.00 0.00 C ATOM 528 CD LYS A 35 -4.328 8.499 6.587 1.00 0.00 C ATOM 529 CE LYS A 35 -3.849 8.357 8.033 1.00 0.00 C ATOM 530 NZ LYS A 35 -4.191 9.511 8.879 1.00 0.00 N ATOM 0 H LYS A 35 -6.103 9.972 2.794 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.311 10.565 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.185 11.181 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.771 9.530 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.966 9.828 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.121 10.638 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.408 8.351 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.885 7.695 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.286 7.457 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.768 8.221 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.486 9.177 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.360 10.129 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.969 10.044 8.441 1.00 0.00 H new ATOM 544 N LEU A 36 -4.456 7.467 3.341 1.00 0.00 N ATOM 545 CA LEU A 36 -4.025 6.098 3.270 1.00 0.00 C ATOM 546 C LEU A 36 -3.353 5.902 1.931 1.00 0.00 C ATOM 547 O LEU A 36 -2.390 5.141 1.869 1.00 0.00 O ATOM 548 CB LEU A 36 -5.235 5.183 3.569 1.00 0.00 C ATOM 549 CG LEU A 36 -5.499 5.205 5.072 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.811 4.587 5.476 1.00 0.00 C ATOM 551 CD2 LEU A 36 -4.370 4.692 5.913 1.00 0.00 C ATOM 0 H LEU A 36 -5.469 7.582 3.344 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.282 5.828 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.114 5.528 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.032 4.165 3.235 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.575 6.271 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.921 4.643 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.629 5.127 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.833 3.543 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.647 4.745 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.158 3.657 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.482 5.300 5.740 1.00 0.00 H new ATOM 563 N VAL A 37 -3.805 6.639 0.906 1.00 0.00 N ATOM 564 CA VAL A 37 -3.183 6.647 -0.400 1.00 0.00 C ATOM 565 C VAL A 37 -1.731 7.053 -0.165 1.00 0.00 C ATOM 566 O VAL A 37 -0.819 6.293 -0.453 1.00 0.00 O ATOM 567 CB VAL A 37 -3.953 7.582 -1.379 1.00 0.00 C ATOM 568 CG1 VAL A 37 -3.108 8.309 -2.435 1.00 0.00 C ATOM 569 CG2 VAL A 37 -5.083 6.845 -2.101 1.00 0.00 C ATOM 0 H VAL A 37 -4.621 7.247 0.974 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.214 5.671 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.339 8.350 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.755 8.928 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.369 8.939 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.598 7.576 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.594 7.533 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.668 6.017 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.792 6.460 -1.369 1.00 0.00 H new ATOM 579 N THR A 38 -1.536 8.201 0.472 1.00 0.00 N ATOM 580 CA THR A 38 -0.264 8.842 0.726 1.00 0.00 C ATOM 581 C THR A 38 0.587 8.044 1.695 1.00 0.00 C ATOM 582 O THR A 38 1.789 7.956 1.489 1.00 0.00 O ATOM 583 CB THR A 38 -0.445 10.301 1.038 1.00 0.00 C ATOM 584 OG1 THR A 38 -0.559 11.114 -0.122 1.00 0.00 O ATOM 585 CG2 THR A 38 0.540 10.949 2.018 1.00 0.00 C ATOM 0 H THR A 38 -2.317 8.739 0.847 1.00 0.00 H new ATOM 0 HA THR A 38 0.332 8.840 -0.186 1.00 0.00 H new ATOM 0 HB THR A 38 -1.394 10.268 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.180 10.641 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.287 12.001 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.482 10.442 2.981 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.553 10.865 1.625 1.00 0.00 H new ATOM 593 N HIS A 39 0.001 7.397 2.706 1.00 0.00 N ATOM 594 CA HIS A 39 0.732 6.470 3.530 1.00 0.00 C ATOM 595 C HIS A 39 1.277 5.349 2.655 1.00 0.00 C ATOM 596 O HIS A 39 2.354 4.856 2.953 1.00 0.00 O ATOM 597 CB HIS A 39 -0.135 5.895 4.636 1.00 0.00 C ATOM 598 CG HIS A 39 0.702 5.299 5.742 1.00 0.00 C ATOM 599 ND1 HIS A 39 1.565 5.960 6.590 1.00 0.00 N ATOM 600 CD2 HIS A 39 0.778 3.971 6.048 1.00 0.00 C ATOM 601 CE1 HIS A 39 2.048 5.057 7.455 1.00 0.00 C ATOM 602 NE2 HIS A 39 1.575 3.829 7.184 1.00 0.00 N ATOM 0 H HIS A 39 -0.980 7.508 2.963 1.00 0.00 H new ATOM 0 HA HIS A 39 1.553 7.006 4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.774 6.679 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.793 5.130 4.224 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.794 6.954 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.303 3.168 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.727 5.286 8.263 1.00 0.00 H new ATOM 610 N PHE A 40 0.595 4.944 1.575 1.00 0.00 N ATOM 611 CA PHE A 40 1.205 3.961 0.682 1.00 0.00 C ATOM 612 C PHE A 40 2.451 4.575 0.054 1.00 0.00 C ATOM 613 O PHE A 40 3.548 4.032 0.184 1.00 0.00 O ATOM 614 CB PHE A 40 0.242 3.425 -0.387 1.00 0.00 C ATOM 615 CG PHE A 40 0.736 2.160 -1.064 1.00 0.00 C ATOM 616 CD1 PHE A 40 1.861 2.176 -1.910 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.093 0.941 -0.802 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.287 0.985 -2.522 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.517 -0.244 -1.432 1.00 0.00 C ATOM 620 CZ PHE A 40 1.592 -0.215 -2.323 1.00 0.00 C ATOM 0 H PHE A 40 -0.336 5.266 1.310 1.00 0.00 H new ATOM 0 HA PHE A 40 1.477 3.090 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.726 3.228 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.085 4.195 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.394 3.099 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.736 0.912 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.162 0.995 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.011 -1.176 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.885 -1.109 -2.854 1.00 0.00 H new ATOM 630 N GLU A 41 2.262 5.711 -0.609 1.00 0.00 N ATOM 631 CA GLU A 41 3.278 6.517 -1.278 1.00 0.00 C ATOM 632 C GLU A 41 4.511 6.777 -0.408 1.00 0.00 C ATOM 633 O GLU A 41 5.632 6.889 -0.904 1.00 0.00 O ATOM 634 CB GLU A 41 2.734 7.798 -1.874 1.00 0.00 C ATOM 635 CG GLU A 41 1.376 7.697 -2.546 1.00 0.00 C ATOM 636 CD GLU A 41 0.927 9.027 -3.147 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.511 9.910 -2.358 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.005 9.134 -4.395 1.00 0.00 O ATOM 0 H GLU A 41 1.332 6.121 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 41 3.609 5.903 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.671 8.545 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.452 8.168 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.417 6.941 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.637 7.362 -1.818 1.00 0.00 H new ATOM 645 N GLU A 42 4.286 6.845 0.898 1.00 0.00 N ATOM 646 CA GLU A 42 5.229 7.168 1.939 1.00 0.00 C ATOM 647 C GLU A 42 5.994 5.912 2.302 1.00 0.00 C ATOM 648 O GLU A 42 7.223 5.840 2.229 1.00 0.00 O ATOM 649 CB GLU A 42 4.482 7.807 3.065 1.00 0.00 C ATOM 650 CG GLU A 42 5.162 8.340 4.325 1.00 0.00 C ATOM 651 CD GLU A 42 4.933 7.473 5.569 1.00 0.00 C ATOM 652 OE1 GLU A 42 3.796 7.506 6.104 1.00 0.00 O ATOM 653 OE2 GLU A 42 5.903 6.825 6.018 1.00 0.00 O ATOM 0 H GLU A 42 3.358 6.658 1.279 1.00 0.00 H new ATOM 0 HA GLU A 42 5.981 7.893 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.932 8.644 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.744 7.078 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.234 8.419 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.797 9.348 4.524 1.00 0.00 H new ATOM 660 N MET A 43 5.205 4.897 2.643 1.00 0.00 N ATOM 661 CA MET A 43 5.633 3.746 3.375 1.00 0.00 C ATOM 662 C MET A 43 6.728 3.011 2.630 1.00 0.00 C ATOM 663 O MET A 43 7.842 2.790 3.102 1.00 0.00 O ATOM 664 CB MET A 43 4.454 2.791 3.587 1.00 0.00 C ATOM 665 CG MET A 43 3.658 3.036 4.861 1.00 0.00 C ATOM 666 SD MET A 43 4.399 2.486 6.413 1.00 0.00 S ATOM 667 CE MET A 43 5.169 4.030 6.953 1.00 0.00 C ATOM 0 H MET A 43 4.215 4.869 2.400 1.00 0.00 H new ATOM 0 HA MET A 43 6.018 4.083 4.337 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.781 2.871 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.831 1.768 3.601 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.465 4.106 4.939 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.691 2.545 4.755 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.232 4.009 6.715 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.699 4.870 6.441 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.041 4.144 8.029 1.00 0.00 H new ATOM 677 N THR A 44 6.340 2.534 1.458 1.00 0.00 N ATOM 678 CA THR A 44 7.009 1.455 0.778 1.00 0.00 C ATOM 679 C THR A 44 8.242 1.918 -0.003 1.00 0.00 C ATOM 680 O THR A 44 8.846 1.082 -0.689 1.00 0.00 O ATOM 681 CB THR A 44 5.941 0.682 -0.018 1.00 0.00 C ATOM 682 OG1 THR A 44 6.511 -0.332 -0.818 1.00 0.00 O ATOM 683 CG2 THR A 44 5.047 1.592 -0.867 1.00 0.00 C ATOM 0 H THR A 44 5.535 2.898 0.949 1.00 0.00 H new ATOM 0 HA THR A 44 7.458 0.756 1.484 1.00 0.00 H new ATOM 0 HB THR A 44 5.303 0.213 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.037 -1.176 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.316 0.987 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.528 2.299 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.660 2.139 -1.583 1.00 0.00 H new ATOM 691 N GLU A 45 8.673 3.180 0.098 1.00 0.00 N ATOM 692 CA GLU A 45 9.761 3.730 -0.718 1.00 0.00 C ATOM 693 C GLU A 45 9.488 3.507 -2.218 1.00 0.00 C ATOM 694 O GLU A 45 10.435 3.349 -2.994 1.00 0.00 O ATOM 695 CB GLU A 45 11.121 3.135 -0.316 1.00 0.00 C ATOM 696 CG GLU A 45 11.531 3.152 1.165 1.00 0.00 C ATOM 697 CD GLU A 45 12.744 2.228 1.320 1.00 0.00 C ATOM 698 OE1 GLU A 45 13.801 2.524 0.721 1.00 0.00 O ATOM 699 OE2 GLU A 45 12.555 1.065 1.747 1.00 0.00 O ATOM 0 H GLU A 45 8.274 3.853 0.753 1.00 0.00 H new ATOM 0 HA GLU A 45 9.802 4.803 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.139 2.098 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.891 3.664 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.778 4.165 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.708 2.813 1.794 1.00 0.00 H new ATOM 706 N HIS A 46 8.218 3.336 -2.611 1.00 0.00 N ATOM 707 CA HIS A 46 7.904 2.727 -3.889 1.00 0.00 C ATOM 708 C HIS A 46 7.765 3.809 -4.961 1.00 0.00 C ATOM 709 O HIS A 46 7.059 4.787 -4.735 1.00 0.00 O ATOM 710 CB HIS A 46 6.634 1.871 -3.832 1.00 0.00 C ATOM 711 CG HIS A 46 6.369 1.178 -5.146 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.630 1.703 -6.179 1.00 0.00 N ATOM 713 CD2 HIS A 46 6.948 0.026 -5.612 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.787 0.900 -7.247 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.579 -0.130 -6.941 1.00 0.00 N ATOM 0 H HIS A 46 7.405 3.612 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 46 8.728 2.060 -4.144 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.732 1.127 -3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.782 2.500 -3.574 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.063 2.550 -6.142 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.580 -0.642 -5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.336 1.065 -8.214 1.00 0.00 H new ATOM 723 N PRO A 47 8.337 3.580 -6.152 1.00 0.00 N ATOM 724 CA PRO A 47 8.149 4.382 -7.355 1.00 0.00 C ATOM 725 C PRO A 47 6.767 4.995 -7.586 1.00 0.00 C ATOM 726 O PRO A 47 6.655 6.208 -7.724 1.00 0.00 O ATOM 727 CB PRO A 47 8.474 3.424 -8.502 1.00 0.00 C ATOM 728 CG PRO A 47 9.555 2.547 -7.891 1.00 0.00 C ATOM 729 CD PRO A 47 9.229 2.464 -6.436 1.00 0.00 C ATOM 0 HA PRO A 47 8.787 5.262 -7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.603 2.844 -8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.830 3.953 -9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.562 1.558 -8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.544 2.978 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.751 1.514 -6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.133 2.526 -5.831 1.00 0.00 H new ATOM 737 N SER A 48 5.740 4.154 -7.720 1.00 0.00 N ATOM 738 CA SER A 48 4.491 4.497 -8.363 1.00 0.00 C ATOM 739 C SER A 48 3.342 4.574 -7.360 1.00 0.00 C ATOM 740 O SER A 48 2.350 3.935 -7.491 1.00 0.00 O ATOM 741 CB SER A 48 4.312 3.667 -9.655 1.00 0.00 C ATOM 742 OG SER A 48 3.930 2.329 -9.452 1.00 0.00 O ATOM 0 H SER A 48 5.764 3.195 -7.373 1.00 0.00 H new ATOM 0 HA SER A 48 4.497 5.520 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.563 4.152 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.249 3.681 -10.211 1.00 0.00 H new ATOM 0 HG SER A 48 2.999 2.208 -9.734 1.00 0.00 H new ATOM 748 N GLY A 49 3.491 5.310 -6.291 1.00 0.00 N ATOM 749 CA GLY A 49 2.597 5.588 -5.172 1.00 0.00 C ATOM 750 C GLY A 49 1.112 5.642 -5.545 1.00 0.00 C ATOM 751 O GLY A 49 0.378 4.701 -5.272 1.00 0.00 O ATOM 0 H GLY A 49 4.372 5.807 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.740 4.822 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.881 6.540 -4.724 1.00 0.00 H new ATOM 755 N SER A 50 0.656 6.712 -6.183 1.00 0.00 N ATOM 756 CA SER A 50 -0.730 6.806 -6.670 1.00 0.00 C ATOM 757 C SER A 50 -0.983 5.905 -7.897 1.00 0.00 C ATOM 758 O SER A 50 -2.113 5.749 -8.372 1.00 0.00 O ATOM 759 CB SER A 50 -1.037 8.267 -7.018 1.00 0.00 C ATOM 760 OG SER A 50 -1.153 9.067 -5.853 1.00 0.00 O ATOM 0 H SER A 50 1.224 7.536 -6.380 1.00 0.00 H new ATOM 0 HA SER A 50 -1.392 6.456 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.247 8.664 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.964 8.319 -7.590 1.00 0.00 H new ATOM 0 HG SER A 50 -0.309 9.044 -5.355 1.00 0.00 H new ATOM 766 N ASP A 51 0.057 5.239 -8.388 1.00 0.00 N ATOM 767 CA ASP A 51 0.224 4.685 -9.703 1.00 0.00 C ATOM 768 C ASP A 51 0.531 3.203 -9.526 1.00 0.00 C ATOM 769 O ASP A 51 1.068 2.549 -10.416 1.00 0.00 O ATOM 770 CB ASP A 51 1.338 5.410 -10.453 1.00 0.00 C ATOM 771 CG ASP A 51 1.014 6.804 -10.998 1.00 0.00 C ATOM 772 OD1 ASP A 51 -0.146 7.253 -10.870 1.00 0.00 O ATOM 773 OD2 ASP A 51 1.964 7.422 -11.531 1.00 0.00 O ATOM 0 H ASP A 51 0.878 5.063 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.679 4.809 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.195 5.498 -9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.648 4.783 -11.289 1.00 0.00 H new ATOM 778 N LEU A 52 0.329 2.665 -8.320 1.00 0.00 N ATOM 779 CA LEU A 52 0.131 1.263 -8.147 1.00 0.00 C ATOM 780 C LEU A 52 -1.009 1.193 -7.185 1.00 0.00 C ATOM 781 O LEU A 52 -0.948 0.466 -6.210 1.00 0.00 O ATOM 782 CB LEU A 52 1.318 0.473 -7.620 1.00 0.00 C ATOM 783 CG LEU A 52 2.306 1.049 -6.621 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.732 1.781 -5.433 1.00 0.00 C ATOM 785 CD2 LEU A 52 3.083 -0.113 -6.056 1.00 0.00 C ATOM 0 H LEU A 52 0.302 3.204 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.043 0.798 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.913 -0.434 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.898 0.166 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 52 2.879 1.788 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.544 2.141 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.139 2.628 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.098 1.104 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.809 0.253 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.398 -0.805 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.605 -0.628 -6.862 1.00 0.00 H new ATOM 797 N ILE A 53 -1.993 2.053 -7.382 1.00 0.00 N ATOM 798 CA ILE A 53 -3.119 2.143 -6.525 1.00 0.00 C ATOM 799 C ILE A 53 -4.331 2.188 -7.446 1.00 0.00 C ATOM 800 O ILE A 53 -5.234 1.384 -7.243 1.00 0.00 O ATOM 801 CB ILE A 53 -2.871 3.247 -5.503 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.857 2.708 -4.458 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.185 3.665 -4.858 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.337 1.559 -3.627 1.00 0.00 C ATOM 0 H ILE A 53 -2.014 2.711 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.316 1.298 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.455 4.135 -5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.951 2.402 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.580 3.525 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.998 4.454 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.866 4.034 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.633 2.807 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.553 1.261 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.223 1.859 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.585 0.719 -4.276 1.00 0.00 H new ATOM 816 N TYR A 54 -4.302 3.004 -8.519 1.00 0.00 N ATOM 817 CA TYR A 54 -5.364 2.988 -9.528 1.00 0.00 C ATOM 818 C TYR A 54 -4.902 3.122 -10.989 1.00 0.00 C ATOM 819 O TYR A 54 -5.670 2.759 -11.885 1.00 0.00 O ATOM 820 CB TYR A 54 -6.344 4.129 -9.247 1.00 0.00 C ATOM 821 CG TYR A 54 -6.745 4.354 -7.793 1.00 0.00 C ATOM 822 CD1 TYR A 54 -7.414 3.342 -7.077 1.00 0.00 C ATOM 823 CD2 TYR A 54 -6.361 5.531 -7.119 1.00 0.00 C ATOM 824 CE1 TYR A 54 -7.815 3.538 -5.745 1.00 0.00 C ATOM 825 CE2 TYR A 54 -6.669 5.688 -5.753 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.453 4.728 -5.082 1.00 0.00 C ATOM 827 OH TYR A 54 -7.785 4.922 -3.780 1.00 0.00 O ATOM 0 H TYR A 54 -3.557 3.676 -8.703 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.815 2.000 -9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.906 5.053 -9.625 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.250 3.947 -9.824 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.622 2.399 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.832 6.310 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.395 2.784 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.302 6.550 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.455 5.796 -3.485 1.00 0.00 H new ATOM 837 N TYR A 55 -3.718 3.694 -11.251 1.00 0.00 N ATOM 838 CA TYR A 55 -3.196 3.911 -12.608 1.00 0.00 C ATOM 839 C TYR A 55 -2.928 2.602 -13.374 1.00 0.00 C ATOM 840 O TYR A 55 -3.379 2.518 -14.520 1.00 0.00 O ATOM 841 CB TYR A 55 -1.947 4.810 -12.581 1.00 0.00 C ATOM 842 CG TYR A 55 -1.681 5.633 -13.835 1.00 0.00 C ATOM 843 CD1 TYR A 55 -1.431 5.024 -15.083 1.00 0.00 C ATOM 844 CD2 TYR A 55 -1.627 7.037 -13.735 1.00 0.00 C ATOM 845 CE1 TYR A 55 -1.158 5.808 -16.219 1.00 0.00 C ATOM 846 CE2 TYR A 55 -1.339 7.829 -14.858 1.00 0.00 C ATOM 847 CZ TYR A 55 -1.105 7.215 -16.108 1.00 0.00 C ATOM 848 OH TYR A 55 -0.807 7.978 -17.196 1.00 0.00 O ATOM 0 H TYR A 55 -3.089 4.023 -10.518 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.982 4.426 -13.160 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.035 5.493 -11.736 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.077 4.181 -12.393 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.449 3.947 -15.167 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.810 7.511 -12.782 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.989 5.334 -17.175 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.297 8.904 -14.766 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.814 8.925 -16.943 1.00 0.00 H new ATOM 858 N PRO A 56 -2.226 1.587 -12.816 1.00 0.00 N ATOM 859 CA PRO A 56 -2.147 0.248 -13.400 1.00 0.00 C ATOM 860 C PRO A 56 -3.550 -0.209 -13.798 1.00 0.00 C ATOM 861 O PRO A 56 -4.480 0.042 -13.033 1.00 0.00 O ATOM 862 CB PRO A 56 -1.571 -0.677 -12.329 1.00 0.00 C ATOM 863 CG PRO A 56 -1.873 0.110 -11.074 1.00 0.00 C ATOM 864 CD PRO A 56 -1.540 1.510 -11.546 1.00 0.00 C ATOM 0 HA PRO A 56 -1.517 0.237 -14.289 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.051 -1.655 -12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.503 -0.847 -12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.913 0.013 -10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.257 -0.201 -10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.894 2.268 -10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.465 1.656 -11.656 1.00 0.00 H new ATOM 872 N LYS A 57 -3.761 -0.844 -14.957 1.00 0.00 N ATOM 873 CA LYS A 57 -5.099 -1.355 -15.280 1.00 0.00 C ATOM 874 C LYS A 57 -5.106 -2.406 -16.368 1.00 0.00 C ATOM 875 O LYS A 57 -5.794 -3.421 -16.323 1.00 0.00 O ATOM 876 CB LYS A 57 -6.044 -0.195 -15.643 1.00 0.00 C ATOM 877 CG LYS A 57 -7.500 -0.683 -15.628 1.00 0.00 C ATOM 878 CD LYS A 57 -8.400 0.109 -14.671 1.00 0.00 C ATOM 879 CE LYS A 57 -8.235 -0.262 -13.190 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.093 0.387 -12.524 1.00 0.00 N ATOM 0 H LYS A 57 -3.048 -1.013 -15.667 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.458 -1.853 -14.379 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.918 0.623 -14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.792 0.196 -16.629 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.908 -0.616 -16.637 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.519 -1.736 -15.345 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.191 1.172 -14.792 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.440 -0.046 -14.958 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.149 0.003 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.121 -1.343 -13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.140 0.207 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.205 0.001 -12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.127 1.412 -12.697 1.00 0.00 H new ATOM 894 N GLU A 58 -4.395 -2.088 -17.426 1.00 0.00 N ATOM 895 CA GLU A 58 -4.602 -2.705 -18.738 1.00 0.00 C ATOM 896 C GLU A 58 -3.700 -3.892 -18.951 1.00 0.00 C ATOM 897 O GLU A 58 -2.637 -3.914 -19.564 1.00 0.00 O ATOM 898 CB GLU A 58 -4.613 -1.710 -19.815 1.00 0.00 C ATOM 899 CG GLU A 58 -4.987 -2.278 -21.199 1.00 0.00 C ATOM 900 CD GLU A 58 -5.506 -1.209 -22.170 1.00 0.00 C ATOM 901 OE1 GLU A 58 -6.659 -0.764 -21.968 1.00 0.00 O ATOM 902 OE2 GLU A 58 -4.782 -0.886 -23.140 1.00 0.00 O ATOM 0 H GLU A 58 -3.650 -1.391 -17.411 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.605 -3.131 -18.765 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.318 -0.920 -19.557 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.627 -1.249 -19.878 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.113 -2.762 -21.635 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.749 -3.048 -21.075 1.00 0.00 H new ATOM 909 N GLY A 59 -4.248 -4.871 -18.293 1.00 0.00 N ATOM 910 CA GLY A 59 -3.606 -6.096 -17.858 1.00 0.00 C ATOM 911 C GLY A 59 -2.491 -5.847 -16.842 1.00 0.00 C ATOM 912 O GLY A 59 -1.677 -6.748 -16.649 1.00 0.00 O ATOM 0 H GLY A 59 -5.231 -4.840 -18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.353 -6.757 -17.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.194 -6.613 -18.724 1.00 0.00 H new ATOM 916 N ASP A 60 -2.447 -4.667 -16.212 1.00 0.00 N ATOM 917 CA ASP A 60 -1.592 -4.408 -15.066 1.00 0.00 C ATOM 918 C ASP A 60 -2.472 -4.635 -13.867 1.00 0.00 C ATOM 919 O ASP A 60 -3.555 -4.053 -13.766 1.00 0.00 O ATOM 920 CB ASP A 60 -1.003 -2.987 -15.046 1.00 0.00 C ATOM 921 CG ASP A 60 0.402 -2.920 -14.436 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.889 -3.948 -13.916 1.00 0.00 O ATOM 923 OD2 ASP A 60 0.986 -1.818 -14.535 1.00 0.00 O ATOM 0 H ASP A 60 -3.011 -3.864 -16.492 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.721 -5.063 -15.089 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.968 -2.602 -16.065 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.668 -2.334 -14.481 1.00 0.00 H new ATOM 928 N ASP A 61 -2.050 -5.590 -13.058 1.00 0.00 N ATOM 929 CA ASP A 61 -2.808 -6.098 -11.931 1.00 0.00 C ATOM 930 C ASP A 61 -2.824 -5.098 -10.775 1.00 0.00 C ATOM 931 O ASP A 61 -2.039 -5.197 -9.839 1.00 0.00 O ATOM 932 CB ASP A 61 -2.439 -7.501 -11.513 1.00 0.00 C ATOM 933 CG ASP A 61 -3.296 -8.047 -10.358 1.00 0.00 C ATOM 934 OD1 ASP A 61 -4.449 -7.580 -10.186 1.00 0.00 O ATOM 935 OD2 ASP A 61 -2.824 -8.958 -9.636 1.00 0.00 O ATOM 0 H ASP A 61 -1.145 -6.046 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.836 -6.200 -12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.538 -8.165 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.391 -7.518 -11.216 1.00 0.00 H new ATOM 940 N ASP A 62 -3.716 -4.119 -10.843 1.00 0.00 N ATOM 941 CA ASP A 62 -4.008 -3.157 -9.787 1.00 0.00 C ATOM 942 C ASP A 62 -5.145 -3.702 -8.906 1.00 0.00 C ATOM 943 O ASP A 62 -5.702 -2.946 -8.106 1.00 0.00 O ATOM 944 CB ASP A 62 -4.547 -1.868 -10.423 1.00 0.00 C ATOM 945 CG ASP A 62 -6.046 -1.826 -10.764 1.00 0.00 C ATOM 946 OD1 ASP A 62 -6.476 -2.513 -11.717 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.757 -0.938 -10.234 1.00 0.00 O ATOM 0 H ASP A 62 -4.284 -3.966 -11.677 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.100 -2.979 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.331 -1.041 -9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.987 -1.684 -11.340 1.00 0.00 H new ATOM 952 N SER A 63 -5.547 -4.982 -9.029 1.00 0.00 N ATOM 953 CA SER A 63 -6.558 -5.503 -8.109 1.00 0.00 C ATOM 954 C SER A 63 -6.061 -5.216 -6.687 1.00 0.00 C ATOM 955 O SER A 63 -4.841 -5.223 -6.516 1.00 0.00 O ATOM 956 CB SER A 63 -6.776 -7.011 -8.252 1.00 0.00 C ATOM 957 OG SER A 63 -6.944 -7.424 -9.589 1.00 0.00 O ATOM 0 H SER A 63 -5.202 -5.643 -9.725 1.00 0.00 H new ATOM 0 HA SER A 63 -7.510 -5.021 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.924 -7.537 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.655 -7.301 -7.676 1.00 0.00 H new ATOM 0 HG SER A 63 -6.087 -7.739 -9.944 1.00 0.00 H new ATOM 963 N PRO A 64 -6.913 -5.048 -5.655 1.00 0.00 N ATOM 964 CA PRO A 64 -6.535 -4.514 -4.342 1.00 0.00 C ATOM 965 C PRO A 64 -5.369 -5.206 -3.641 1.00 0.00 C ATOM 966 O PRO A 64 -4.831 -4.734 -2.658 1.00 0.00 O ATOM 967 CB PRO A 64 -7.790 -4.635 -3.496 1.00 0.00 C ATOM 968 CG PRO A 64 -8.890 -4.390 -4.526 1.00 0.00 C ATOM 969 CD PRO A 64 -8.349 -5.226 -5.682 1.00 0.00 C ATOM 0 HA PRO A 64 -6.171 -3.496 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.877 -5.618 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.813 -3.900 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.867 -4.732 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.994 -3.336 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.616 -6.276 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.767 -4.896 -6.633 1.00 0.00 H new ATOM 977 N SER A 65 -5.029 -6.362 -4.159 1.00 0.00 N ATOM 978 CA SER A 65 -3.946 -7.273 -4.003 1.00 0.00 C ATOM 979 C SER A 65 -2.775 -7.112 -4.928 1.00 0.00 C ATOM 980 O SER A 65 -1.680 -6.945 -4.418 1.00 0.00 O ATOM 981 CB SER A 65 -4.583 -8.637 -4.113 1.00 0.00 C ATOM 982 OG SER A 65 -5.495 -8.766 -5.201 1.00 0.00 O ATOM 0 H SER A 65 -5.664 -6.754 -4.854 1.00 0.00 H new ATOM 0 HA SER A 65 -3.463 -7.085 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.798 -9.386 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.109 -8.857 -3.184 1.00 0.00 H new ATOM 0 HG SER A 65 -5.866 -9.673 -5.211 1.00 0.00 H new ATOM 988 N GLY A 66 -2.974 -7.240 -6.226 1.00 0.00 N ATOM 989 CA GLY A 66 -2.082 -7.027 -7.320 1.00 0.00 C ATOM 990 C GLY A 66 -1.338 -5.723 -7.189 1.00 0.00 C ATOM 991 O GLY A 66 -0.143 -5.688 -7.443 1.00 0.00 O ATOM 0 H GLY A 66 -3.889 -7.535 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.368 -7.849 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.644 -7.033 -8.254 1.00 0.00 H new ATOM 995 N ILE A 67 -1.975 -4.674 -6.678 1.00 0.00 N ATOM 996 CA ILE A 67 -1.242 -3.456 -6.400 1.00 0.00 C ATOM 997 C ILE A 67 -0.228 -3.605 -5.297 1.00 0.00 C ATOM 998 O ILE A 67 0.927 -3.186 -5.375 1.00 0.00 O ATOM 999 CB ILE A 67 -2.146 -2.274 -6.050 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -3.276 -2.619 -5.094 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.676 -1.583 -7.269 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.393 -1.556 -4.977 1.00 0.00 C ATOM 0 H ILE A 67 -2.970 -4.646 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.725 -3.253 -7.338 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.495 -1.580 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.725 -3.560 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.853 -2.787 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.312 -0.751 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.844 -1.207 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.258 -2.288 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.149 -1.899 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.966 -0.617 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.852 -1.401 -5.954 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.647 -4.275 -4.247 1.00 0.00 N ATOM 1015 CA VAL A 68 0.245 -4.502 -3.126 1.00 0.00 C ATOM 1016 C VAL A 68 1.269 -5.541 -3.546 1.00 0.00 C ATOM 1017 O VAL A 68 2.344 -5.658 -2.971 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.565 -4.958 -1.921 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.165 -4.702 -0.590 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.786 -4.105 -1.832 1.00 0.00 C ATOM 0 H VAL A 68 -1.583 -4.667 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 68 0.767 -3.588 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.758 -6.022 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.456 -5.045 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.111 -5.244 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.358 -3.635 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.384 -4.414 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.493 -3.062 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.374 -4.216 -2.743 1.00 0.00 H new ATOM 1030 N ASN A 69 0.903 -6.305 -4.556 1.00 0.00 N ATOM 1031 CA ASN A 69 1.713 -7.223 -5.344 1.00 0.00 C ATOM 1032 C ASN A 69 2.718 -6.503 -6.195 1.00 0.00 C ATOM 1033 O ASN A 69 3.831 -6.984 -6.368 1.00 0.00 O ATOM 1034 CB ASN A 69 0.868 -8.120 -6.175 1.00 0.00 C ATOM 1035 CG ASN A 69 0.944 -9.598 -5.825 1.00 0.00 C ATOM 1036 OD1 ASN A 69 1.983 -10.147 -5.474 1.00 0.00 O ATOM 1037 ND2 ASN A 69 -0.205 -10.249 -5.816 1.00 0.00 N ATOM 0 H ASN A 69 -0.064 -6.300 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 69 2.266 -7.838 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.169 -7.797 -6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.155 -7.996 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.237 -11.223 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.060 -9.778 -6.111 1.00 0.00 H new ATOM 1044 N THR A 70 2.353 -5.327 -6.673 1.00 0.00 N ATOM 1045 CA THR A 70 3.218 -4.566 -7.514 1.00 0.00 C ATOM 1046 C THR A 70 4.355 -4.073 -6.617 1.00 0.00 C ATOM 1047 O THR A 70 5.539 -4.117 -6.963 1.00 0.00 O ATOM 1048 CB THR A 70 2.463 -3.390 -8.140 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.346 -3.835 -8.880 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.328 -2.566 -9.097 1.00 0.00 C ATOM 0 H THR A 70 1.453 -4.887 -6.483 1.00 0.00 H new ATOM 0 HA THR A 70 3.601 -5.165 -8.340 1.00 0.00 H new ATOM 0 HB THR A 70 2.159 -2.770 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.815 -4.451 -8.333 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.737 -1.748 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.183 -2.160 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.680 -3.203 -9.909 1.00 0.00 H new ATOM 1058 N VAL A 71 3.985 -3.724 -5.376 1.00 0.00 N ATOM 1059 CA VAL A 71 4.940 -3.499 -4.318 1.00 0.00 C ATOM 1060 C VAL A 71 5.757 -4.728 -4.152 1.00 0.00 C ATOM 1061 O VAL A 71 6.966 -4.636 -4.149 1.00 0.00 O ATOM 1062 CB VAL A 71 4.293 -3.041 -2.991 1.00 0.00 C ATOM 1063 CG1 VAL A 71 4.720 -3.657 -1.669 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.637 -1.588 -2.994 1.00 0.00 C ATOM 0 H VAL A 71 3.014 -3.594 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 71 5.582 -2.667 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 71 3.247 -3.346 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.152 -3.204 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.531 -4.730 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.784 -3.479 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.237 -1.118 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.720 -1.471 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.205 -1.114 -3.875 1.00 0.00 H new ATOM 1074 N LYS A 72 5.109 -5.872 -4.073 1.00 0.00 N ATOM 1075 CA LYS A 72 5.773 -7.163 -3.915 1.00 0.00 C ATOM 1076 C LYS A 72 6.710 -7.595 -5.011 1.00 0.00 C ATOM 1077 O LYS A 72 7.184 -8.723 -5.022 1.00 0.00 O ATOM 1078 CB LYS A 72 4.782 -8.288 -3.659 1.00 0.00 C ATOM 1079 CG LYS A 72 5.073 -8.686 -2.231 1.00 0.00 C ATOM 1080 CD LYS A 72 4.358 -7.651 -1.401 1.00 0.00 C ATOM 1081 CE LYS A 72 3.052 -8.319 -0.916 1.00 0.00 C ATOM 1082 NZ LYS A 72 1.988 -7.348 -0.610 1.00 0.00 N ATOM 0 H LYS A 72 4.092 -5.939 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 72 6.403 -6.977 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.752 -7.953 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.931 -9.120 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.707 -9.690 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.144 -8.687 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.972 -7.336 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.144 -6.759 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.697 -9.009 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.262 -8.912 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.273 -7.796 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.397 -6.529 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.541 -7.032 -1.494 1.00 0.00 H new ATOM 1096 N GLN A 73 6.895 -6.721 -5.963 1.00 0.00 N ATOM 1097 CA GLN A 73 7.587 -6.875 -7.188 1.00 0.00 C ATOM 1098 C GLN A 73 8.706 -5.890 -7.341 1.00 0.00 C ATOM 1099 O GLN A 73 9.844 -6.296 -7.491 1.00 0.00 O ATOM 1100 CB GLN A 73 6.674 -7.005 -8.321 1.00 0.00 C ATOM 1101 CG GLN A 73 6.099 -8.400 -8.041 1.00 0.00 C ATOM 1102 CD GLN A 73 6.918 -9.642 -8.408 1.00 0.00 C ATOM 1103 OE1 GLN A 73 7.171 -9.952 -9.563 1.00 0.00 O ATOM 1104 NE2 GLN A 73 7.389 -10.354 -7.396 1.00 0.00 N ATOM 0 H GLN A 73 6.515 -5.779 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 73 8.107 -7.833 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.906 -6.231 -8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.189 -6.951 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.882 -8.456 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.146 -8.471 -8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.170 -10.084 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.971 -11.172 -7.575 1.00 0.00 H new ATOM 1113 N TRP A 74 8.427 -4.613 -7.138 1.00 0.00 N ATOM 1114 CA TRP A 74 9.441 -3.621 -6.878 1.00 0.00 C ATOM 1115 C TRP A 74 10.209 -4.027 -5.632 1.00 0.00 C ATOM 1116 O TRP A 74 11.384 -4.353 -5.696 1.00 0.00 O ATOM 1117 CB TRP A 74 8.885 -2.241 -6.789 1.00 0.00 C ATOM 1118 CG TRP A 74 9.977 -1.239 -7.011 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.415 -0.835 -8.217 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.788 -0.506 -6.062 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.528 -0.035 -8.093 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.736 0.290 -6.778 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.741 -0.357 -4.672 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.569 1.227 -6.154 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.547 0.601 -4.055 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.453 1.401 -4.770 1.00 0.00 C ATOM 0 H TRP A 74 7.478 -4.238 -7.151 1.00 0.00 H new ATOM 0 HA TRP A 74 10.129 -3.586 -7.722 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.099 -2.107 -7.532 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.429 -2.085 -5.811 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.955 -1.103 -9.157 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.114 0.272 -8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.086 -0.979 -4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.283 1.801 -6.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.471 0.732 -2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.052 2.140 -4.259 1.00 0.00 H new ATOM 1137 N ARG A 75 9.535 -4.141 -4.489 1.00 0.00 N ATOM 1138 CA ARG A 75 10.102 -4.615 -3.236 1.00 0.00 C ATOM 1139 C ARG A 75 10.614 -6.042 -3.291 1.00 0.00 C ATOM 1140 O ARG A 75 11.218 -6.474 -2.315 1.00 0.00 O ATOM 1141 CB ARG A 75 9.071 -4.574 -2.072 1.00 0.00 C ATOM 1142 CG ARG A 75 8.554 -3.177 -1.691 1.00 0.00 C ATOM 1143 CD ARG A 75 8.324 -3.020 -0.174 1.00 0.00 C ATOM 1144 NE ARG A 75 8.863 -1.733 0.280 1.00 0.00 N ATOM 1145 CZ ARG A 75 9.830 -1.491 1.171 1.00 0.00 C ATOM 1146 NH1 ARG A 75 10.312 -2.425 1.982 1.00 0.00 N ATOM 1147 NH2 ARG A 75 10.318 -0.265 1.222 1.00 0.00 N ATOM 0 H ARG A 75 8.548 -3.897 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 75 10.933 -3.931 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.218 -5.196 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.527 -5.026 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.270 -2.426 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.619 -2.984 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.259 -3.078 0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.807 -3.837 0.363 1.00 0.00 H new ATOM 0 HE ARG A 75 8.441 -0.907 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.944 -3.375 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.051 -2.192 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.956 0.454 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.057 -0.037 1.887 1.00 0.00 H new ATOM 1161 N ALA A 76 10.423 -6.752 -4.392 1.00 0.00 N ATOM 1162 CA ALA A 76 11.037 -8.055 -4.589 1.00 0.00 C ATOM 1163 C ALA A 76 12.205 -8.071 -5.545 1.00 0.00 C ATOM 1164 O ALA A 76 13.123 -8.871 -5.398 1.00 0.00 O ATOM 1165 CB ALA A 76 9.994 -9.078 -4.993 1.00 0.00 C ATOM 0 H ALA A 76 9.841 -6.443 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 76 11.463 -8.322 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.471 -10.047 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.240 -9.157 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.520 -8.766 -5.924 1.00 0.00 H new ATOM 1171 N ALA A 77 12.191 -7.138 -6.473 1.00 0.00 N ATOM 1172 CA ALA A 77 13.178 -7.048 -7.538 1.00 0.00 C ATOM 1173 C ALA A 77 14.320 -6.162 -7.122 1.00 0.00 C ATOM 1174 O ALA A 77 15.495 -6.460 -7.312 1.00 0.00 O ATOM 1175 CB ALA A 77 12.522 -6.504 -8.808 1.00 0.00 C ATOM 0 H ALA A 77 11.482 -6.406 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 77 13.571 -8.045 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.266 -6.439 -9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.718 -7.172 -9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.114 -5.513 -8.611 1.00 0.00 H new ATOM 1181 N ASN A 78 13.933 -5.086 -6.463 1.00 0.00 N ATOM 1182 CA ASN A 78 14.783 -4.327 -5.598 1.00 0.00 C ATOM 1183 C ASN A 78 15.179 -5.135 -4.372 1.00 0.00 C ATOM 1184 O ASN A 78 16.141 -4.836 -3.671 1.00 0.00 O ATOM 1185 CB ASN A 78 13.974 -3.102 -5.199 1.00 0.00 C ATOM 1186 CG ASN A 78 14.863 -1.932 -4.757 1.00 0.00 C ATOM 1187 OD1 ASN A 78 14.683 -0.808 -5.187 1.00 0.00 O ATOM 1188 ND2 ASN A 78 15.833 -2.119 -3.877 1.00 0.00 N ATOM 0 H ASN A 78 12.985 -4.713 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 78 15.713 -4.051 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.357 -2.788 -6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.296 -3.366 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.407 -1.332 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.007 -3.051 -3.500 1.00 0.00 H new ATOM 1195 N GLY A 79 14.356 -6.131 -4.106 1.00 0.00 N ATOM 1196 CA GLY A 79 14.478 -7.048 -2.991 1.00 0.00 C ATOM 1197 C GLY A 79 14.308 -6.296 -1.684 1.00 0.00 C ATOM 1198 O GLY A 79 14.899 -6.704 -0.686 1.00 0.00 O ATOM 0 H GLY A 79 13.545 -6.332 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.725 -7.833 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.452 -7.537 -3.016 1.00 0.00 H new ATOM 1202 N LYS A 80 13.519 -5.199 -1.697 1.00 0.00 N ATOM 1203 CA LYS A 80 13.332 -4.326 -0.508 1.00 0.00 C ATOM 1204 C LYS A 80 13.171 -5.133 0.773 1.00 0.00 C ATOM 1205 O LYS A 80 13.706 -4.824 1.832 1.00 0.00 O ATOM 1206 CB LYS A 80 12.186 -3.343 -0.529 1.00 0.00 C ATOM 1207 CG LYS A 80 12.200 -2.602 -1.826 1.00 0.00 C ATOM 1208 CD LYS A 80 12.992 -1.440 -2.045 1.00 0.00 C ATOM 1209 CE LYS A 80 12.567 -0.244 -1.257 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.503 0.896 -1.386 1.00 0.00 N ATOM 0 H LYS A 80 12.998 -4.893 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 80 14.253 -3.745 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.239 -3.868 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.274 -2.645 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.489 -3.322 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.168 -2.317 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.029 -1.671 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.963 -1.190 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.576 0.068 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.482 -0.520 -0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.852 1.167 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.306 0.620 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.009 1.703 -1.817 1.00 0.00 H new ATOM 1224 N SER A 81 12.343 -6.154 0.602 1.00 0.00 N ATOM 1225 CA SER A 81 11.715 -6.980 1.580 1.00 0.00 C ATOM 1226 C SER A 81 10.997 -6.020 2.504 1.00 0.00 C ATOM 1227 O SER A 81 10.178 -5.202 2.082 1.00 0.00 O ATOM 1228 CB SER A 81 12.695 -7.992 2.088 1.00 0.00 C ATOM 1229 OG SER A 81 13.458 -8.606 1.062 1.00 0.00 O ATOM 0 H SER A 81 12.076 -6.442 -0.339 1.00 0.00 H new ATOM 0 HA SER A 81 10.931 -7.660 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.371 -7.509 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.156 -8.762 2.640 1.00 0.00 H new ATOM 0 HG SER A 81 14.025 -7.934 0.629 1.00 0.00 H new ATOM 1235 N GLY A 82 11.422 -6.073 3.738 1.00 0.00 N ATOM 1236 CA GLY A 82 11.254 -5.007 4.692 1.00 0.00 C ATOM 1237 C GLY A 82 9.869 -4.741 5.203 1.00 0.00 C ATOM 1238 O GLY A 82 9.600 -3.620 5.606 1.00 0.00 O ATOM 0 H GLY A 82 11.910 -6.883 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.893 -5.220 5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.626 -4.089 4.238 1.00 0.00 H new ATOM 1242 N PHE A 83 9.016 -5.741 5.139 1.00 0.00 N ATOM 1243 CA PHE A 83 7.848 -5.835 5.956 1.00 0.00 C ATOM 1244 C PHE A 83 8.208 -6.756 7.129 1.00 0.00 C ATOM 1245 O PHE A 83 9.343 -6.851 7.598 1.00 0.00 O ATOM 1246 CB PHE A 83 6.665 -6.385 5.173 1.00 0.00 C ATOM 1247 CG PHE A 83 6.045 -5.508 4.161 1.00 0.00 C ATOM 1248 CD1 PHE A 83 6.561 -5.559 2.876 1.00 0.00 C ATOM 1249 CD2 PHE A 83 4.849 -4.829 4.440 1.00 0.00 C ATOM 1250 CE1 PHE A 83 5.903 -4.927 1.829 1.00 0.00 C ATOM 1251 CE2 PHE A 83 4.178 -4.213 3.388 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.703 -4.239 2.076 1.00 0.00 C ATOM 0 H PHE A 83 9.128 -6.526 4.497 1.00 0.00 H new ATOM 0 HA PHE A 83 7.546 -4.849 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.989 -7.298 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.893 -6.670 5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.480 -6.093 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.459 -4.786 5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.312 -4.964 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.242 -3.708 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.187 -3.735 1.272 1.00 0.00 H new ATOM 1262 N LYS A 84 7.171 -7.446 7.563 1.00 0.00 N ATOM 1263 CA LYS A 84 6.809 -8.176 8.701 1.00 0.00 C ATOM 1264 C LYS A 84 5.938 -9.326 8.223 1.00 0.00 C ATOM 1265 O LYS A 84 5.607 -9.440 7.041 1.00 0.00 O ATOM 1266 CB LYS A 84 6.196 -7.163 9.602 1.00 0.00 C ATOM 1267 CG LYS A 84 6.181 -7.537 11.081 1.00 0.00 C ATOM 1268 CD LYS A 84 6.068 -6.235 11.857 1.00 0.00 C ATOM 1269 CE LYS A 84 5.601 -6.479 13.287 1.00 0.00 C ATOM 1270 NZ LYS A 84 5.366 -5.212 14.018 1.00 0.00 N ATOM 0 H LYS A 84 6.377 -7.492 6.924 1.00 0.00 H new ATOM 0 HA LYS A 84 7.601 -8.662 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.735 -6.223 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.171 -6.984 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.342 -8.196 11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.090 -8.073 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.035 -5.732 11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.368 -5.569 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.682 -7.065 13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.348 -7.070 13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.923 -5.418 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.273 -4.727 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.737 -4.600 13.459 1.00 0.00 H new ATOM 1284 N GLN A 85 5.519 -10.139 9.164 1.00 0.00 N ATOM 1285 CA GLN A 85 4.620 -11.272 8.959 1.00 0.00 C ATOM 1286 C GLN A 85 3.445 -11.230 9.908 1.00 0.00 C ATOM 1287 O GLN A 85 2.292 -11.189 9.479 1.00 0.00 O ATOM 1288 CB GLN A 85 5.329 -12.572 8.839 1.00 0.00 C ATOM 1289 CG GLN A 85 5.268 -13.246 7.457 1.00 0.00 C ATOM 1290 CD GLN A 85 6.219 -14.435 7.343 1.00 0.00 C ATOM 1291 OE1 GLN A 85 6.241 -15.327 8.181 1.00 0.00 O ATOM 1292 NE2 GLN A 85 7.031 -14.482 6.298 1.00 0.00 N ATOM 0 H GLN A 85 5.802 -10.032 10.138 1.00 0.00 H new ATOM 0 HA GLN A 85 4.168 -11.169 7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.376 -12.418 9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.914 -13.260 9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.249 -13.581 7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.514 -12.514 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.010 -13.737 5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.678 -15.263 6.189 1.00 0.00 H new ATOM 1301 N GLY A 86 3.792 -11.146 11.180 1.00 0.00 N ATOM 1302 CA GLY A 86 2.991 -10.681 12.282 1.00 0.00 C ATOM 1303 C GLY A 86 3.888 -9.710 13.033 1.00 0.00 C ATOM 1304 O GLY A 86 3.360 -8.706 13.546 1.00 0.00 O ATOM 1305 OXT GLY A 86 5.122 -9.930 12.990 1.00 0.00 O ATOM 0 H GLY A 86 4.723 -11.427 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.083 -10.190 11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.680 -11.507 12.921 1.00 0.00 H new TER 1309 GLY A 86