USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 591 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 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 HIS : no HD1:sc= 0 X(o=0,f=0.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 9:sc= 1.14 USER MOD Single : A 16 TYR OH : rot -148:sc= 0.123 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.278 (180deg=-0.987) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.76! C(o=-3.8!,f=-4!) USER MOD Single : A 38 MET CE :methyl -117:sc= -1.7 (180deg=-3.07!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.3!) USER MOD Single : A 45 SER OG : rot -173:sc= 0.0111 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.203 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.34 F(o=-2.3,f=-1.3) USER MOD Single : A 62 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.022) USER MOD Single : A 70 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.566 16.055 0.172 1.00 0.00 N ATOM 2 CA GLY A 1 14.337 14.827 0.108 1.00 0.00 C ATOM 3 C GLY A 1 14.722 14.313 1.481 1.00 0.00 C ATOM 4 O GLY A 1 15.659 14.818 2.100 1.00 0.00 O ATOM 0 H1 GLY A 1 13.327 16.366 -0.791 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.691 15.888 0.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.126 16.793 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.758 14.065 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.239 14.998 -0.479 1.00 0.00 H new ATOM 8 N SER A 2 13.997 13.307 1.960 1.00 0.00 N ATOM 9 CA SER A 2 14.265 12.728 3.271 1.00 0.00 C ATOM 10 C SER A 2 14.529 11.229 3.159 1.00 0.00 C ATOM 11 O SER A 2 13.612 10.442 2.928 1.00 0.00 O ATOM 12 CB SER A 2 13.087 12.981 4.214 1.00 0.00 C ATOM 13 OG SER A 2 13.455 12.751 5.563 1.00 0.00 O ATOM 0 H SER A 2 13.220 12.876 1.460 1.00 0.00 H new ATOM 0 HA SER A 2 15.156 13.207 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.739 14.007 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.255 12.330 3.945 1.00 0.00 H new ATOM 0 HG SER A 2 12.686 12.921 6.146 1.00 0.00 H new ATOM 19 N SER A 3 15.790 10.843 3.326 1.00 0.00 N ATOM 20 CA SER A 3 16.177 9.440 3.240 1.00 0.00 C ATOM 21 C SER A 3 16.000 8.744 4.586 1.00 0.00 C ATOM 22 O SER A 3 16.654 9.091 5.568 1.00 0.00 O ATOM 23 CB SER A 3 17.630 9.317 2.778 1.00 0.00 C ATOM 24 OG SER A 3 17.848 10.047 1.582 1.00 0.00 O ATOM 0 H SER A 3 16.561 11.482 3.522 1.00 0.00 H new ATOM 0 HA SER A 3 15.529 8.954 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.296 9.685 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.876 8.267 2.617 1.00 0.00 H new ATOM 0 HG SER A 3 18.784 9.954 1.308 1.00 0.00 H new ATOM 30 N GLY A 4 15.108 7.758 4.623 1.00 0.00 N ATOM 31 CA GLY A 4 14.859 7.029 5.852 1.00 0.00 C ATOM 32 C GLY A 4 16.055 6.208 6.292 1.00 0.00 C ATOM 33 O GLY A 4 16.931 5.894 5.486 1.00 0.00 O ATOM 0 H GLY A 4 14.554 7.452 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.595 7.733 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.002 6.370 5.713 1.00 0.00 H new ATOM 37 N SER A 5 16.093 5.860 7.574 1.00 0.00 N ATOM 38 CA SER A 5 17.194 5.075 8.121 1.00 0.00 C ATOM 39 C SER A 5 16.712 3.696 8.561 1.00 0.00 C ATOM 40 O SER A 5 17.302 2.677 8.203 1.00 0.00 O ATOM 41 CB SER A 5 17.832 5.807 9.303 1.00 0.00 C ATOM 42 OG SER A 5 18.968 5.108 9.783 1.00 0.00 O ATOM 0 H SER A 5 15.374 6.109 8.254 1.00 0.00 H new ATOM 0 HA SER A 5 17.941 4.946 7.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.122 6.813 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.102 5.915 10.105 1.00 0.00 H new ATOM 0 HG SER A 5 19.358 5.597 10.537 1.00 0.00 H new ATOM 48 N SER A 6 15.636 3.674 9.340 1.00 0.00 N ATOM 49 CA SER A 6 15.075 2.421 9.833 1.00 0.00 C ATOM 50 C SER A 6 13.639 2.241 9.351 1.00 0.00 C ATOM 51 O SER A 6 12.755 3.025 9.693 1.00 0.00 O ATOM 52 CB SER A 6 15.120 2.385 11.362 1.00 0.00 C ATOM 53 OG SER A 6 14.375 1.291 11.868 1.00 0.00 O ATOM 0 H SER A 6 15.135 4.509 9.644 1.00 0.00 H new ATOM 0 HA SER A 6 15.677 1.602 9.439 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.155 2.311 11.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.721 3.317 11.763 1.00 0.00 H new ATOM 0 HG SER A 6 14.421 1.289 12.847 1.00 0.00 H new ATOM 59 N GLY A 7 13.416 1.201 8.553 1.00 0.00 N ATOM 60 CA GLY A 7 12.086 0.936 8.035 1.00 0.00 C ATOM 61 C GLY A 7 11.334 -0.086 8.865 1.00 0.00 C ATOM 62 O GLY A 7 10.512 0.273 9.708 1.00 0.00 O ATOM 0 H GLY A 7 14.132 0.538 8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.518 1.866 8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.164 0.579 7.008 1.00 0.00 H new ATOM 66 N VAL A 8 11.614 -1.363 8.625 1.00 0.00 N ATOM 67 CA VAL A 8 10.958 -2.440 9.356 1.00 0.00 C ATOM 68 C VAL A 8 11.865 -3.661 9.468 1.00 0.00 C ATOM 69 O VAL A 8 12.144 -4.332 8.474 1.00 0.00 O ATOM 70 CB VAL A 8 9.638 -2.854 8.680 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.001 -4.020 9.421 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.683 -1.672 8.606 1.00 0.00 C ATOM 0 H VAL A 8 12.291 -1.677 7.930 1.00 0.00 H new ATOM 0 HA VAL A 8 10.742 -2.059 10.354 1.00 0.00 H new ATOM 0 HB VAL A 8 9.857 -3.178 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.069 -4.299 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.683 -4.871 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.794 -3.727 10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.756 -1.983 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.468 -1.315 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.141 -0.870 8.027 1.00 0.00 H new ATOM 82 N HIS A 9 12.321 -3.943 10.684 1.00 0.00 N ATOM 83 CA HIS A 9 13.196 -5.085 10.926 1.00 0.00 C ATOM 84 C HIS A 9 12.386 -6.316 11.319 1.00 0.00 C ATOM 85 O HIS A 9 12.470 -7.360 10.671 1.00 0.00 O ATOM 86 CB HIS A 9 14.208 -4.754 12.023 1.00 0.00 C ATOM 87 CG HIS A 9 15.021 -3.529 11.739 1.00 0.00 C ATOM 88 ND1 HIS A 9 15.342 -2.598 12.704 1.00 0.00 N ATOM 89 CD2 HIS A 9 15.580 -3.085 10.589 1.00 0.00 C ATOM 90 CE1 HIS A 9 16.062 -1.633 12.161 1.00 0.00 C ATOM 91 NE2 HIS A 9 16.222 -1.905 10.878 1.00 0.00 N ATOM 0 H HIS A 9 12.100 -3.397 11.517 1.00 0.00 H new ATOM 0 HA HIS A 9 13.731 -5.304 10.002 1.00 0.00 H new ATOM 0 HB2 HIS A 9 13.678 -4.618 12.966 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.879 -5.603 12.155 1.00 0.00 H new ATOM 0 HD2 HIS A 9 15.531 -3.568 9.624 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.453 -0.769 12.678 1.00 0.00 H new ATOM 0 HE2 HIS A 9 16.738 -1.332 10.210 1.00 0.00 H new ATOM 100 N VAL A 10 11.601 -6.188 12.385 1.00 0.00 N ATOM 101 CA VAL A 10 10.776 -7.290 12.864 1.00 0.00 C ATOM 102 C VAL A 10 9.409 -7.286 12.189 1.00 0.00 C ATOM 103 O VAL A 10 8.635 -6.341 12.338 1.00 0.00 O ATOM 104 CB VAL A 10 10.583 -7.224 14.390 1.00 0.00 C ATOM 105 CG1 VAL A 10 9.947 -5.902 14.792 1.00 0.00 C ATOM 106 CG2 VAL A 10 9.743 -8.397 14.872 1.00 0.00 C ATOM 0 H VAL A 10 11.520 -5.331 12.933 1.00 0.00 H new ATOM 0 HA VAL A 10 11.300 -8.212 12.611 1.00 0.00 H new ATOM 0 HB VAL A 10 11.562 -7.288 14.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.819 -5.874 15.874 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.591 -5.079 14.482 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.975 -5.804 14.309 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.617 -8.334 15.953 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.766 -8.367 14.390 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.244 -9.331 14.619 1.00 0.00 H new ATOM 116 N GLU A 11 9.118 -8.350 11.447 1.00 0.00 N ATOM 117 CA GLU A 11 7.844 -8.469 10.749 1.00 0.00 C ATOM 118 C GLU A 11 6.676 -8.322 11.720 1.00 0.00 C ATOM 119 O GLU A 11 6.631 -8.982 12.758 1.00 0.00 O ATOM 120 CB GLU A 11 7.755 -9.816 10.027 1.00 0.00 C ATOM 121 CG GLU A 11 7.777 -11.011 10.965 1.00 0.00 C ATOM 122 CD GLU A 11 8.086 -12.310 10.247 1.00 0.00 C ATOM 123 OE1 GLU A 11 9.200 -12.434 9.697 1.00 0.00 O ATOM 124 OE2 GLU A 11 7.213 -13.203 10.236 1.00 0.00 O ATOM 0 H GLU A 11 9.747 -9.142 11.314 1.00 0.00 H new ATOM 0 HA GLU A 11 7.786 -7.667 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.838 -9.843 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.586 -9.899 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.522 -10.844 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.811 -11.096 11.462 1.00 0.00 H new ATOM 131 N ASP A 12 5.733 -7.452 11.375 1.00 0.00 N ATOM 132 CA ASP A 12 4.564 -7.218 12.215 1.00 0.00 C ATOM 133 C ASP A 12 3.418 -6.629 11.399 1.00 0.00 C ATOM 134 O ASP A 12 3.553 -6.396 10.198 1.00 0.00 O ATOM 135 CB ASP A 12 4.919 -6.281 13.370 1.00 0.00 C ATOM 136 CG ASP A 12 5.579 -7.009 14.524 1.00 0.00 C ATOM 137 OD1 ASP A 12 6.811 -7.208 14.474 1.00 0.00 O ATOM 138 OD2 ASP A 12 4.864 -7.378 15.479 1.00 0.00 O ATOM 0 H ASP A 12 5.755 -6.897 10.519 1.00 0.00 H new ATOM 0 HA ASP A 12 4.241 -8.176 12.622 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.587 -5.499 13.008 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.014 -5.788 13.725 1.00 0.00 H new ATOM 143 N ALA A 13 2.289 -6.392 12.059 1.00 0.00 N ATOM 144 CA ALA A 13 1.120 -5.829 11.395 1.00 0.00 C ATOM 145 C ALA A 13 0.836 -4.414 11.889 1.00 0.00 C ATOM 146 O ALA A 13 1.597 -3.858 12.682 1.00 0.00 O ATOM 147 CB ALA A 13 -0.093 -6.720 11.617 1.00 0.00 C ATOM 0 H ALA A 13 2.159 -6.581 13.053 1.00 0.00 H new ATOM 0 HA ALA A 13 1.330 -5.778 10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.959 -6.287 11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.104 -7.712 11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.295 -6.800 12.685 1.00 0.00 H new ATOM 153 N LEU A 14 -0.262 -3.837 11.415 1.00 0.00 N ATOM 154 CA LEU A 14 -0.646 -2.485 11.808 1.00 0.00 C ATOM 155 C LEU A 14 0.584 -1.611 12.027 1.00 0.00 C ATOM 156 O LEU A 14 0.586 -0.724 12.881 1.00 0.00 O ATOM 157 CB LEU A 14 -1.491 -2.524 13.083 1.00 0.00 C ATOM 158 CG LEU A 14 -0.939 -3.373 14.229 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.147 -2.616 14.978 1.00 0.00 C ATOM 160 CD2 LEU A 14 -2.057 -3.783 15.176 1.00 0.00 C ATOM 0 H LEU A 14 -0.902 -4.283 10.758 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.237 -2.053 11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.617 -1.503 13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.483 -2.897 12.826 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.499 -4.277 13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.528 -3.235 15.790 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.960 -2.374 14.294 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.268 -1.695 15.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.646 -4.386 15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.527 -2.892 15.591 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.800 -4.365 14.631 1.00 0.00 H new ATOM 172 N THR A 15 1.631 -1.866 11.248 1.00 0.00 N ATOM 173 CA THR A 15 2.868 -1.102 11.355 1.00 0.00 C ATOM 174 C THR A 15 2.873 0.075 10.386 1.00 0.00 C ATOM 175 O THR A 15 3.130 1.213 10.779 1.00 0.00 O ATOM 176 CB THR A 15 4.099 -1.985 11.078 1.00 0.00 C ATOM 177 OG1 THR A 15 4.075 -3.139 11.926 1.00 0.00 O ATOM 178 CG2 THR A 15 5.386 -1.207 11.308 1.00 0.00 C ATOM 0 H THR A 15 1.647 -2.596 10.536 1.00 0.00 H new ATOM 0 HA THR A 15 2.921 -0.728 12.377 1.00 0.00 H new ATOM 0 HB THR A 15 4.065 -2.300 10.035 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.215 -3.183 12.395 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.242 -1.851 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.415 -0.346 10.640 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.425 -0.866 12.342 1.00 0.00 H new ATOM 186 N TYR A 16 2.586 -0.206 9.120 1.00 0.00 N ATOM 187 CA TYR A 16 2.559 0.830 8.095 1.00 0.00 C ATOM 188 C TYR A 16 1.283 1.661 8.193 1.00 0.00 C ATOM 189 O TYR A 16 1.273 2.846 7.857 1.00 0.00 O ATOM 190 CB TYR A 16 2.667 0.204 6.703 1.00 0.00 C ATOM 191 CG TYR A 16 1.996 1.016 5.620 1.00 0.00 C ATOM 192 CD1 TYR A 16 0.624 0.936 5.412 1.00 0.00 C ATOM 193 CD2 TYR A 16 2.733 1.865 4.803 1.00 0.00 C ATOM 194 CE1 TYR A 16 0.007 1.677 4.422 1.00 0.00 C ATOM 195 CE2 TYR A 16 2.125 2.610 3.812 1.00 0.00 C ATOM 196 CZ TYR A 16 0.761 2.512 3.625 1.00 0.00 C ATOM 197 OH TYR A 16 0.150 3.252 2.639 1.00 0.00 O ATOM 0 H TYR A 16 2.369 -1.143 8.779 1.00 0.00 H new ATOM 0 HA TYR A 16 3.413 1.488 8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.720 0.078 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.224 -0.792 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.030 0.284 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.801 1.944 4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.060 1.602 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.713 3.265 3.187 1.00 0.00 H new ATOM 0 HH TYR A 16 0.767 3.367 1.887 1.00 0.00 H new ATOM 207 N LEU A 17 0.210 1.031 8.656 1.00 0.00 N ATOM 208 CA LEU A 17 -1.073 1.711 8.800 1.00 0.00 C ATOM 209 C LEU A 17 -0.922 2.993 9.613 1.00 0.00 C ATOM 210 O LEU A 17 -1.304 4.073 9.163 1.00 0.00 O ATOM 211 CB LEU A 17 -2.090 0.786 9.471 1.00 0.00 C ATOM 212 CG LEU A 17 -3.563 1.117 9.226 1.00 0.00 C ATOM 213 CD1 LEU A 17 -3.984 2.322 10.054 1.00 0.00 C ATOM 214 CD2 LEU A 17 -3.814 1.370 7.747 1.00 0.00 C ATOM 0 H LEU A 17 0.202 0.051 8.938 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.431 1.974 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.906 -0.232 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.909 0.799 10.546 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.164 0.262 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.035 2.543 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.842 2.104 11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.377 3.184 9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.867 1.604 7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.203 2.208 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.552 0.479 7.176 1.00 0.00 H new ATOM 226 N ASP A 18 -0.360 2.866 10.809 1.00 0.00 N ATOM 227 CA ASP A 18 -0.154 4.015 11.684 1.00 0.00 C ATOM 228 C ASP A 18 0.308 5.229 10.885 1.00 0.00 C ATOM 229 O ASP A 18 -0.263 6.313 10.999 1.00 0.00 O ATOM 230 CB ASP A 18 0.871 3.681 12.768 1.00 0.00 C ATOM 231 CG ASP A 18 0.681 4.513 14.021 1.00 0.00 C ATOM 232 OD1 ASP A 18 -0.414 4.442 14.619 1.00 0.00 O ATOM 233 OD2 ASP A 18 1.625 5.235 14.404 1.00 0.00 O ATOM 0 H ASP A 18 -0.038 1.979 11.196 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.106 4.255 12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.795 2.624 13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.875 3.843 12.377 1.00 0.00 H new ATOM 238 N GLN A 19 1.347 5.040 10.078 1.00 0.00 N ATOM 239 CA GLN A 19 1.888 6.121 9.262 1.00 0.00 C ATOM 240 C GLN A 19 0.768 6.904 8.585 1.00 0.00 C ATOM 241 O GLN A 19 0.769 8.135 8.585 1.00 0.00 O ATOM 242 CB GLN A 19 2.845 5.562 8.208 1.00 0.00 C ATOM 243 CG GLN A 19 4.099 4.935 8.796 1.00 0.00 C ATOM 244 CD GLN A 19 5.210 4.787 7.776 1.00 0.00 C ATOM 245 OE1 GLN A 19 4.981 4.892 6.571 1.00 0.00 O ATOM 246 NE2 GLN A 19 6.424 4.540 8.255 1.00 0.00 N ATOM 0 H GLN A 19 1.831 4.149 9.972 1.00 0.00 H new ATOM 0 HA GLN A 19 2.436 6.799 9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.320 4.815 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.134 6.365 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.452 5.547 9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.853 3.955 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.569 4.461 9.262 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.212 4.430 7.616 1.00 0.00 H new ATOM 255 N VAL A 20 -0.188 6.182 8.008 1.00 0.00 N ATOM 256 CA VAL A 20 -1.315 6.809 7.328 1.00 0.00 C ATOM 257 C VAL A 20 -2.131 7.664 8.291 1.00 0.00 C ATOM 258 O VAL A 20 -2.302 8.865 8.080 1.00 0.00 O ATOM 259 CB VAL A 20 -2.237 5.757 6.684 1.00 0.00 C ATOM 260 CG1 VAL A 20 -3.374 6.433 5.933 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.443 4.847 5.760 1.00 0.00 C ATOM 0 H VAL A 20 -0.204 5.162 7.998 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.900 7.444 6.546 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.669 5.144 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.015 5.674 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.958 7.039 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.964 7.071 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.110 4.110 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.981 5.442 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.668 4.336 6.331 1.00 0.00 H new ATOM 271 N LYS A 21 -2.633 7.038 9.350 1.00 0.00 N ATOM 272 CA LYS A 21 -3.430 7.740 10.348 1.00 0.00 C ATOM 273 C LYS A 21 -2.798 9.083 10.703 1.00 0.00 C ATOM 274 O LYS A 21 -3.496 10.085 10.861 1.00 0.00 O ATOM 275 CB LYS A 21 -3.577 6.885 11.608 1.00 0.00 C ATOM 276 CG LYS A 21 -4.666 7.369 12.549 1.00 0.00 C ATOM 277 CD LYS A 21 -4.375 6.976 13.988 1.00 0.00 C ATOM 278 CE LYS A 21 -3.443 7.973 14.660 1.00 0.00 C ATOM 279 NZ LYS A 21 -3.989 9.358 14.618 1.00 0.00 N ATOM 0 H LYS A 21 -2.502 6.044 9.539 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.417 7.923 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.792 5.857 11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.627 6.873 12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.754 8.453 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.625 6.950 12.243 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.309 6.916 14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.926 5.983 14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.282 7.678 15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.471 7.951 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.630 9.897 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.691 9.822 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.028 9.323 14.657 1.00 0.00 H new ATOM 293 N ILE A 22 -1.475 9.095 10.824 1.00 0.00 N ATOM 294 CA ILE A 22 -0.750 10.315 11.158 1.00 0.00 C ATOM 295 C ILE A 22 -0.663 11.248 9.955 1.00 0.00 C ATOM 296 O ILE A 22 -0.992 12.431 10.049 1.00 0.00 O ATOM 297 CB ILE A 22 0.673 10.005 11.658 1.00 0.00 C ATOM 298 CG1 ILE A 22 0.617 9.134 12.914 1.00 0.00 C ATOM 299 CG2 ILE A 22 1.429 11.296 11.935 1.00 0.00 C ATOM 300 CD1 ILE A 22 1.896 8.369 13.177 1.00 0.00 C ATOM 0 H ILE A 22 -0.883 8.274 10.696 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.307 10.806 11.956 1.00 0.00 H new ATOM 0 HB ILE A 22 1.204 9.455 10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.398 9.766 13.775 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.207 8.427 12.819 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.433 11.061 12.288 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.494 11.883 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.902 11.870 12.697 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.784 7.773 14.083 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.106 7.711 12.334 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.720 9.071 13.304 1.00 0.00 H new ATOM 312 N ARG A 23 -0.218 10.708 8.825 1.00 0.00 N ATOM 313 CA ARG A 23 -0.088 11.492 7.603 1.00 0.00 C ATOM 314 C ARG A 23 -1.349 12.312 7.346 1.00 0.00 C ATOM 315 O ARG A 23 -1.285 13.528 7.161 1.00 0.00 O ATOM 316 CB ARG A 23 0.189 10.575 6.410 1.00 0.00 C ATOM 317 CG ARG A 23 0.807 11.292 5.221 1.00 0.00 C ATOM 318 CD ARG A 23 2.302 11.498 5.410 1.00 0.00 C ATOM 319 NE ARG A 23 2.597 12.728 6.140 1.00 0.00 N ATOM 320 CZ ARG A 23 3.824 13.096 6.493 1.00 0.00 C ATOM 321 NH1 ARG A 23 4.863 12.333 6.185 1.00 0.00 N ATOM 322 NH2 ARG A 23 4.012 14.230 7.156 1.00 0.00 N ATOM 0 H ARG A 23 0.059 9.731 8.731 1.00 0.00 H new ATOM 0 HA ARG A 23 0.751 12.177 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.856 9.773 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.745 10.108 6.097 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.630 10.714 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.320 12.257 5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.720 10.648 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.790 11.529 4.436 1.00 0.00 H new ATOM 0 HE ARG A 23 1.819 13.338 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.722 11.461 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.804 12.618 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.215 14.819 7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.954 14.512 7.427 1.00 0.00 H new ATOM 336 N PHE A 24 -2.494 11.638 7.334 1.00 0.00 N ATOM 337 CA PHE A 24 -3.770 12.303 7.098 1.00 0.00 C ATOM 338 C PHE A 24 -4.508 12.546 8.412 1.00 0.00 C ATOM 339 O PHE A 24 -5.729 12.415 8.484 1.00 0.00 O ATOM 340 CB PHE A 24 -4.640 11.466 6.159 1.00 0.00 C ATOM 341 CG PHE A 24 -4.013 11.227 4.815 1.00 0.00 C ATOM 342 CD1 PHE A 24 -4.071 12.196 3.827 1.00 0.00 C ATOM 343 CD2 PHE A 24 -3.365 10.033 4.540 1.00 0.00 C ATOM 344 CE1 PHE A 24 -3.496 11.978 2.589 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.788 9.810 3.305 1.00 0.00 C ATOM 346 CZ PHE A 24 -2.852 10.784 2.328 1.00 0.00 C ATOM 0 H PHE A 24 -2.564 10.632 7.485 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.568 13.267 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.849 10.505 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.598 11.968 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.571 13.132 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.311 9.268 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.550 12.741 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.287 8.875 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.400 10.613 1.362 1.00 0.00 H new ATOM 356 N GLY A 25 -3.756 12.901 9.449 1.00 0.00 N ATOM 357 CA GLY A 25 -4.355 13.156 10.746 1.00 0.00 C ATOM 358 C GLY A 25 -5.451 14.201 10.684 1.00 0.00 C ATOM 359 O GLY A 25 -6.578 13.955 11.112 1.00 0.00 O ATOM 0 H GLY A 25 -2.743 13.017 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.765 12.227 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.582 13.485 11.441 1.00 0.00 H new ATOM 363 N SER A 26 -5.119 15.373 10.151 1.00 0.00 N ATOM 364 CA SER A 26 -6.082 16.462 10.039 1.00 0.00 C ATOM 365 C SER A 26 -6.866 16.362 8.734 1.00 0.00 C ATOM 366 O SER A 26 -7.541 17.308 8.328 1.00 0.00 O ATOM 367 CB SER A 26 -5.368 17.813 10.116 1.00 0.00 C ATOM 368 OG SER A 26 -4.717 18.116 8.895 1.00 0.00 O ATOM 0 H SER A 26 -4.191 15.592 9.790 1.00 0.00 H new ATOM 0 HA SER A 26 -6.782 16.381 10.870 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.089 18.596 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.639 17.797 10.926 1.00 0.00 H new ATOM 0 HG SER A 26 -4.270 18.985 8.970 1.00 0.00 H new ATOM 374 N ASP A 27 -6.770 15.210 8.080 1.00 0.00 N ATOM 375 CA ASP A 27 -7.470 14.984 6.821 1.00 0.00 C ATOM 376 C ASP A 27 -8.261 13.680 6.865 1.00 0.00 C ATOM 377 O ASP A 27 -7.821 12.642 6.372 1.00 0.00 O ATOM 378 CB ASP A 27 -6.476 14.953 5.659 1.00 0.00 C ATOM 379 CG ASP A 27 -6.165 16.338 5.126 1.00 0.00 C ATOM 380 OD1 ASP A 27 -5.421 17.080 5.800 1.00 0.00 O ATOM 381 OD2 ASP A 27 -6.665 16.679 4.034 1.00 0.00 O ATOM 0 H ASP A 27 -6.214 14.418 8.401 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.169 15.807 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.552 14.477 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.881 14.340 4.854 1.00 0.00 H new ATOM 386 N PRO A 28 -9.457 13.734 7.471 1.00 0.00 N ATOM 387 CA PRO A 28 -10.334 12.566 7.594 1.00 0.00 C ATOM 388 C PRO A 28 -10.923 12.138 6.254 1.00 0.00 C ATOM 389 O PRO A 28 -11.281 10.976 6.065 1.00 0.00 O ATOM 390 CB PRO A 28 -11.441 13.051 8.533 1.00 0.00 C ATOM 391 CG PRO A 28 -11.465 14.530 8.357 1.00 0.00 C ATOM 392 CD PRO A 28 -10.045 14.938 8.081 1.00 0.00 C ATOM 0 HA PRO A 28 -9.797 11.691 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.402 12.606 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.231 12.779 9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.120 14.814 7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.846 15.023 9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.996 15.794 7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.523 15.221 8.995 1.00 0.00 H new ATOM 400 N ALA A 29 -11.018 13.085 5.326 1.00 0.00 N ATOM 401 CA ALA A 29 -11.560 12.805 4.002 1.00 0.00 C ATOM 402 C ALA A 29 -10.770 11.701 3.307 1.00 0.00 C ATOM 403 O ALA A 29 -11.333 10.688 2.891 1.00 0.00 O ATOM 404 CB ALA A 29 -11.563 14.069 3.155 1.00 0.00 C ATOM 0 H ALA A 29 -10.727 14.052 5.467 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.587 12.459 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.970 13.845 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.178 14.829 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.543 14.440 3.051 1.00 0.00 H new ATOM 410 N THR A 30 -9.462 11.904 3.183 1.00 0.00 N ATOM 411 CA THR A 30 -8.595 10.927 2.537 1.00 0.00 C ATOM 412 C THR A 30 -8.520 9.638 3.347 1.00 0.00 C ATOM 413 O THR A 30 -8.693 8.544 2.809 1.00 0.00 O ATOM 414 CB THR A 30 -7.171 11.482 2.342 1.00 0.00 C ATOM 415 OG1 THR A 30 -7.216 12.689 1.573 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.284 10.462 1.644 1.00 0.00 C ATOM 0 H THR A 30 -8.980 12.737 3.522 1.00 0.00 H new ATOM 0 HA THR A 30 -9.031 10.714 1.561 1.00 0.00 H new ATOM 0 HB THR A 30 -6.750 11.694 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.307 13.036 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.284 10.876 1.517 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.228 9.556 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.704 10.223 0.667 1.00 0.00 H new ATOM 424 N TYR A 31 -8.261 9.773 4.643 1.00 0.00 N ATOM 425 CA TYR A 31 -8.161 8.618 5.527 1.00 0.00 C ATOM 426 C TYR A 31 -9.369 7.702 5.364 1.00 0.00 C ATOM 427 O TYR A 31 -9.235 6.480 5.323 1.00 0.00 O ATOM 428 CB TYR A 31 -8.043 9.072 6.983 1.00 0.00 C ATOM 429 CG TYR A 31 -7.614 7.973 7.927 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.455 7.243 7.695 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.369 7.663 9.052 1.00 0.00 C ATOM 432 CE1 TYR A 31 -6.060 6.237 8.556 1.00 0.00 C ATOM 433 CE2 TYR A 31 -7.980 6.660 9.919 1.00 0.00 C ATOM 434 CZ TYR A 31 -6.826 5.949 9.666 1.00 0.00 C ATOM 435 OH TYR A 31 -6.435 4.949 10.526 1.00 0.00 O ATOM 0 H TYR A 31 -8.117 10.671 5.105 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.265 8.060 5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.326 9.891 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.005 9.466 7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.852 7.466 6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.275 8.216 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.156 5.679 8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.577 6.434 10.790 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.083 4.874 11.257 1.00 0.00 H new ATOM 445 N ASN A 32 -10.551 8.303 5.271 1.00 0.00 N ATOM 446 CA ASN A 32 -11.785 7.542 5.113 1.00 0.00 C ATOM 447 C ASN A 32 -11.745 6.697 3.843 1.00 0.00 C ATOM 448 O ASN A 32 -11.984 5.491 3.880 1.00 0.00 O ATOM 449 CB ASN A 32 -12.989 8.485 5.073 1.00 0.00 C ATOM 450 CG ASN A 32 -13.168 9.250 6.371 1.00 0.00 C ATOM 451 OD1 ASN A 32 -12.796 8.771 7.442 1.00 0.00 O ATOM 452 ND2 ASN A 32 -13.741 10.444 6.279 1.00 0.00 N ATOM 0 H ASN A 32 -10.680 9.314 5.302 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.882 6.875 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.867 9.191 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.891 7.909 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.889 11.005 7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.033 10.801 5.369 1.00 0.00 H new ATOM 459 N GLY A 33 -11.439 7.341 2.720 1.00 0.00 N ATOM 460 CA GLY A 33 -11.372 6.633 1.455 1.00 0.00 C ATOM 461 C GLY A 33 -10.716 5.273 1.585 1.00 0.00 C ATOM 462 O GLY A 33 -11.045 4.344 0.847 1.00 0.00 O ATOM 0 H GLY A 33 -11.237 8.339 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.379 6.510 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.816 7.234 0.735 1.00 0.00 H new ATOM 466 N PHE A 34 -9.785 5.154 2.526 1.00 0.00 N ATOM 467 CA PHE A 34 -9.079 3.898 2.748 1.00 0.00 C ATOM 468 C PHE A 34 -9.970 2.895 3.476 1.00 0.00 C ATOM 469 O PHE A 34 -10.125 1.754 3.040 1.00 0.00 O ATOM 470 CB PHE A 34 -7.802 4.142 3.555 1.00 0.00 C ATOM 471 CG PHE A 34 -6.988 2.899 3.780 1.00 0.00 C ATOM 472 CD1 PHE A 34 -6.141 2.423 2.792 1.00 0.00 C ATOM 473 CD2 PHE A 34 -7.071 2.209 4.978 1.00 0.00 C ATOM 474 CE1 PHE A 34 -5.392 1.279 2.996 1.00 0.00 C ATOM 475 CE2 PHE A 34 -6.323 1.065 5.188 1.00 0.00 C ATOM 476 CZ PHE A 34 -5.482 0.600 4.196 1.00 0.00 C ATOM 0 H PHE A 34 -9.502 5.912 3.147 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.813 3.483 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.189 4.879 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.068 4.572 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.065 2.951 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.727 2.568 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.737 0.916 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.396 0.536 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.896 -0.293 4.358 1.00 0.00 H new ATOM 486 N LEU A 35 -10.554 3.329 4.588 1.00 0.00 N ATOM 487 CA LEU A 35 -11.429 2.471 5.378 1.00 0.00 C ATOM 488 C LEU A 35 -12.434 1.749 4.485 1.00 0.00 C ATOM 489 O LEU A 35 -12.718 0.568 4.682 1.00 0.00 O ATOM 490 CB LEU A 35 -12.168 3.295 6.434 1.00 0.00 C ATOM 491 CG LEU A 35 -11.289 4.015 7.458 1.00 0.00 C ATOM 492 CD1 LEU A 35 -12.087 5.085 8.186 1.00 0.00 C ATOM 493 CD2 LEU A 35 -10.700 3.020 8.447 1.00 0.00 C ATOM 0 H LEU A 35 -10.437 4.271 4.963 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.811 1.724 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.780 4.038 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.850 2.635 6.970 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.469 4.500 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.446 5.587 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.461 5.813 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.927 4.623 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.077 3.549 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.506 2.507 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.094 2.290 7.911 1.00 0.00 H new ATOM 505 N GLU A 36 -12.968 2.468 3.502 1.00 0.00 N ATOM 506 CA GLU A 36 -13.941 1.895 2.579 1.00 0.00 C ATOM 507 C GLU A 36 -13.305 0.795 1.734 1.00 0.00 C ATOM 508 O GLU A 36 -13.950 -0.202 1.408 1.00 0.00 O ATOM 509 CB GLU A 36 -14.517 2.983 1.671 1.00 0.00 C ATOM 510 CG GLU A 36 -15.745 3.669 2.245 1.00 0.00 C ATOM 511 CD GLU A 36 -16.591 4.339 1.180 1.00 0.00 C ATOM 512 OE1 GLU A 36 -16.033 5.127 0.388 1.00 0.00 O ATOM 513 OE2 GLU A 36 -17.811 4.076 1.139 1.00 0.00 O ATOM 0 H GLU A 36 -12.743 3.447 3.325 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.748 1.458 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.748 3.732 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.775 2.542 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.351 2.935 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.432 4.414 2.977 1.00 0.00 H new ATOM 520 N ILE A 37 -12.038 0.985 1.382 1.00 0.00 N ATOM 521 CA ILE A 37 -11.316 0.009 0.575 1.00 0.00 C ATOM 522 C ILE A 37 -11.191 -1.324 1.306 1.00 0.00 C ATOM 523 O ILE A 37 -11.592 -2.366 0.790 1.00 0.00 O ATOM 524 CB ILE A 37 -9.908 0.514 0.208 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.004 1.729 -0.718 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.102 -0.597 -0.448 1.00 0.00 C ATOM 527 CD1 ILE A 37 -8.803 2.645 -0.639 1.00 0.00 C ATOM 0 H ILE A 37 -11.490 1.805 1.643 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.892 -0.133 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.396 0.817 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.121 1.384 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.901 2.296 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.109 -0.225 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.010 -1.436 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.609 -0.927 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.940 3.484 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.697 3.019 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.905 2.093 -0.918 1.00 0.00 H new ATOM 539 N MET A 38 -10.632 -1.281 2.511 1.00 0.00 N ATOM 540 CA MET A 38 -10.457 -2.486 3.315 1.00 0.00 C ATOM 541 C MET A 38 -11.784 -3.215 3.497 1.00 0.00 C ATOM 542 O MET A 38 -11.869 -4.429 3.307 1.00 0.00 O ATOM 543 CB MET A 38 -9.865 -2.132 4.680 1.00 0.00 C ATOM 544 CG MET A 38 -8.383 -1.799 4.632 1.00 0.00 C ATOM 545 SD MET A 38 -7.337 -3.263 4.750 1.00 0.00 S ATOM 546 CE MET A 38 -7.054 -3.617 3.017 1.00 0.00 C ATOM 0 H MET A 38 -10.293 -0.426 2.952 1.00 0.00 H new ATOM 0 HA MET A 38 -9.769 -3.147 2.789 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.407 -1.281 5.092 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.019 -2.968 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.163 -1.274 3.703 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.141 -1.118 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.480 -4.590 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.528 -2.848 2.407 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.982 -3.629 2.818 1.00 0.00 H new ATOM 556 N LYS A 39 -12.819 -2.469 3.867 1.00 0.00 N ATOM 557 CA LYS A 39 -14.143 -3.044 4.074 1.00 0.00 C ATOM 558 C LYS A 39 -14.471 -4.061 2.986 1.00 0.00 C ATOM 559 O LYS A 39 -15.099 -5.085 3.251 1.00 0.00 O ATOM 560 CB LYS A 39 -15.204 -1.940 4.091 1.00 0.00 C ATOM 561 CG LYS A 39 -15.377 -1.284 5.450 1.00 0.00 C ATOM 562 CD LYS A 39 -16.777 -0.720 5.623 1.00 0.00 C ATOM 563 CE LYS A 39 -16.784 0.474 6.566 1.00 0.00 C ATOM 564 NZ LYS A 39 -18.168 0.886 6.928 1.00 0.00 N ATOM 0 H LYS A 39 -12.766 -1.463 4.030 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.143 -3.555 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.935 -1.177 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.159 -2.360 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.178 -2.014 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.645 -0.485 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.172 -0.421 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.438 -1.495 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.231 0.225 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.267 1.311 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.130 1.702 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.689 1.148 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.653 0.096 7.399 1.00 0.00 H new ATOM 578 N GLU A 40 -14.039 -3.772 1.762 1.00 0.00 N ATOM 579 CA GLU A 40 -14.287 -4.663 0.635 1.00 0.00 C ATOM 580 C GLU A 40 -13.489 -5.956 0.778 1.00 0.00 C ATOM 581 O GLU A 40 -14.010 -7.048 0.550 1.00 0.00 O ATOM 582 CB GLU A 40 -13.925 -3.971 -0.681 1.00 0.00 C ATOM 583 CG GLU A 40 -14.893 -2.867 -1.074 1.00 0.00 C ATOM 584 CD GLU A 40 -16.056 -3.379 -1.902 1.00 0.00 C ATOM 585 OE1 GLU A 40 -17.020 -3.906 -1.309 1.00 0.00 O ATOM 586 OE2 GLU A 40 -16.001 -3.251 -3.143 1.00 0.00 O ATOM 0 H GLU A 40 -13.516 -2.929 1.526 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.349 -4.910 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.923 -3.551 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.893 -4.715 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.276 -2.387 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.358 -2.104 -1.639 1.00 0.00 H new ATOM 593 N PHE A 41 -12.223 -5.824 1.158 1.00 0.00 N ATOM 594 CA PHE A 41 -11.352 -6.981 1.330 1.00 0.00 C ATOM 595 C PHE A 41 -11.806 -7.833 2.511 1.00 0.00 C ATOM 596 O PHE A 41 -11.495 -9.021 2.591 1.00 0.00 O ATOM 597 CB PHE A 41 -9.905 -6.529 1.539 1.00 0.00 C ATOM 598 CG PHE A 41 -8.914 -7.658 1.509 1.00 0.00 C ATOM 599 CD1 PHE A 41 -8.847 -8.567 2.552 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.051 -7.810 0.436 1.00 0.00 C ATOM 601 CE1 PHE A 41 -7.936 -9.606 2.527 1.00 0.00 C ATOM 602 CE2 PHE A 41 -7.138 -8.848 0.404 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.081 -9.747 1.451 1.00 0.00 C ATOM 0 H PHE A 41 -11.777 -4.928 1.353 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.410 -7.586 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.643 -5.806 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.828 -6.014 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.514 -8.463 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.092 -7.110 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.893 -10.307 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.471 -8.956 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.369 -10.559 1.429 1.00 0.00 H new ATOM 613 N LYS A 42 -12.545 -7.216 3.428 1.00 0.00 N ATOM 614 CA LYS A 42 -13.044 -7.916 4.606 1.00 0.00 C ATOM 615 C LYS A 42 -14.183 -8.861 4.235 1.00 0.00 C ATOM 616 O LYS A 42 -14.292 -9.960 4.779 1.00 0.00 O ATOM 617 CB LYS A 42 -13.523 -6.911 5.656 1.00 0.00 C ATOM 618 CG LYS A 42 -13.432 -7.431 7.080 1.00 0.00 C ATOM 619 CD LYS A 42 -13.727 -6.337 8.093 1.00 0.00 C ATOM 620 CE LYS A 42 -15.216 -6.230 8.381 1.00 0.00 C ATOM 621 NZ LYS A 42 -15.637 -7.151 9.474 1.00 0.00 N ATOM 0 H LYS A 42 -12.811 -6.233 3.378 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.227 -8.505 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.930 -6.000 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.557 -6.640 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.136 -8.252 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.435 -7.834 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.190 -6.543 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.359 -5.383 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.460 -5.204 8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.778 -6.459 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.658 -7.048 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.428 -8.132 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.119 -6.916 10.345 1.00 0.00 H new ATOM 635 N SER A 43 -15.028 -8.427 3.305 1.00 0.00 N ATOM 636 CA SER A 43 -16.159 -9.234 2.863 1.00 0.00 C ATOM 637 C SER A 43 -15.778 -10.092 1.661 1.00 0.00 C ATOM 638 O SER A 43 -16.643 -10.637 0.976 1.00 0.00 O ATOM 639 CB SER A 43 -17.345 -8.336 2.508 1.00 0.00 C ATOM 640 OG SER A 43 -18.048 -7.934 3.671 1.00 0.00 O ATOM 0 H SER A 43 -14.951 -7.521 2.843 1.00 0.00 H new ATOM 0 HA SER A 43 -16.445 -9.894 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.991 -7.456 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.020 -8.868 1.837 1.00 0.00 H new ATOM 0 HG SER A 43 -18.800 -7.360 3.416 1.00 0.00 H new ATOM 646 N GLN A 44 -14.477 -10.206 1.412 1.00 0.00 N ATOM 647 CA GLN A 44 -13.981 -10.997 0.292 1.00 0.00 C ATOM 648 C GLN A 44 -14.473 -10.429 -1.036 1.00 0.00 C ATOM 649 O GLN A 44 -14.587 -11.151 -2.026 1.00 0.00 O ATOM 650 CB GLN A 44 -14.424 -12.454 0.433 1.00 0.00 C ATOM 651 CG GLN A 44 -13.654 -13.224 1.493 1.00 0.00 C ATOM 652 CD GLN A 44 -12.423 -13.913 0.935 1.00 0.00 C ATOM 653 OE1 GLN A 44 -12.224 -13.966 -0.279 1.00 0.00 O ATOM 654 NE2 GLN A 44 -11.590 -14.445 1.821 1.00 0.00 N ATOM 0 H GLN A 44 -13.748 -9.761 1.970 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.892 -10.954 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -15.486 -12.480 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.305 -12.956 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.354 -12.540 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.310 -13.969 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.795 -14.377 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.745 -14.921 1.505 1.00 0.00 H new ATOM 663 N SER A 45 -14.764 -9.132 -1.048 1.00 0.00 N ATOM 664 CA SER A 45 -15.248 -8.469 -2.253 1.00 0.00 C ATOM 665 C SER A 45 -14.110 -8.245 -3.244 1.00 0.00 C ATOM 666 O SER A 45 -14.323 -8.229 -4.457 1.00 0.00 O ATOM 667 CB SER A 45 -15.901 -7.132 -1.896 1.00 0.00 C ATOM 668 OG SER A 45 -16.698 -6.653 -2.965 1.00 0.00 O ATOM 0 H SER A 45 -14.673 -8.520 -0.237 1.00 0.00 H new ATOM 0 HA SER A 45 -15.991 -9.115 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 45 -16.516 -7.251 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.130 -6.400 -1.656 1.00 0.00 H new ATOM 0 HG SER A 45 -17.011 -5.747 -2.759 1.00 0.00 H new ATOM 674 N ILE A 46 -12.902 -8.071 -2.719 1.00 0.00 N ATOM 675 CA ILE A 46 -11.730 -7.848 -3.556 1.00 0.00 C ATOM 676 C ILE A 46 -10.576 -8.753 -3.138 1.00 0.00 C ATOM 677 O ILE A 46 -10.621 -9.387 -2.084 1.00 0.00 O ATOM 678 CB ILE A 46 -11.266 -6.381 -3.497 1.00 0.00 C ATOM 679 CG1 ILE A 46 -10.800 -6.028 -2.083 1.00 0.00 C ATOM 680 CG2 ILE A 46 -12.388 -5.452 -3.938 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.258 -4.621 -1.959 1.00 0.00 C ATOM 0 H ILE A 46 -12.709 -8.080 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.023 -8.086 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.426 -6.253 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.635 -6.149 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.028 -6.734 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.044 -4.419 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.678 -5.692 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.246 -5.579 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.947 -4.440 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.402 -4.501 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.034 -3.907 -2.234 1.00 0.00 H new ATOM 693 N ASP A 47 -9.542 -8.805 -3.970 1.00 0.00 N ATOM 694 CA ASP A 47 -8.373 -9.630 -3.686 1.00 0.00 C ATOM 695 C ASP A 47 -7.155 -8.761 -3.387 1.00 0.00 C ATOM 696 O ASP A 47 -7.215 -7.534 -3.480 1.00 0.00 O ATOM 697 CB ASP A 47 -8.076 -10.556 -4.866 1.00 0.00 C ATOM 698 CG ASP A 47 -9.233 -11.485 -5.177 1.00 0.00 C ATOM 699 OD1 ASP A 47 -10.348 -11.234 -4.674 1.00 0.00 O ATOM 700 OD2 ASP A 47 -9.024 -12.463 -5.926 1.00 0.00 O ATOM 0 H ASP A 47 -9.489 -8.286 -4.846 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.591 -10.235 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.849 -9.956 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.188 -11.148 -4.645 1.00 0.00 H new ATOM 705 N THR A 48 -6.049 -9.405 -3.025 1.00 0.00 N ATOM 706 CA THR A 48 -4.818 -8.691 -2.710 1.00 0.00 C ATOM 707 C THR A 48 -4.548 -7.586 -3.724 1.00 0.00 C ATOM 708 O THR A 48 -4.434 -6.409 -3.380 1.00 0.00 O ATOM 709 CB THR A 48 -3.610 -9.646 -2.674 1.00 0.00 C ATOM 710 OG1 THR A 48 -3.427 -10.154 -1.348 1.00 0.00 O ATOM 711 CG2 THR A 48 -2.344 -8.934 -3.128 1.00 0.00 C ATOM 0 H THR A 48 -5.981 -10.419 -2.943 1.00 0.00 H new ATOM 0 HA THR A 48 -4.952 -8.248 -1.723 1.00 0.00 H new ATOM 0 HB THR A 48 -3.808 -10.473 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.658 -10.762 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.504 -9.628 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.476 -8.573 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.144 -8.090 -2.467 1.00 0.00 H new ATOM 719 N PRO A 49 -4.443 -7.969 -5.005 1.00 0.00 N ATOM 720 CA PRO A 49 -4.187 -7.025 -6.096 1.00 0.00 C ATOM 721 C PRO A 49 -5.378 -6.112 -6.364 1.00 0.00 C ATOM 722 O PRO A 49 -5.284 -5.165 -7.144 1.00 0.00 O ATOM 723 CB PRO A 49 -3.928 -7.934 -7.299 1.00 0.00 C ATOM 724 CG PRO A 49 -4.648 -9.199 -6.980 1.00 0.00 C ATOM 725 CD PRO A 49 -4.568 -9.355 -5.487 1.00 0.00 C ATOM 0 HA PRO A 49 -3.360 -6.353 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.302 -7.487 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.862 -8.110 -7.440 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.685 -9.152 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.189 -10.048 -7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.457 -9.841 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.712 -9.962 -5.192 1.00 0.00 H new ATOM 733 N GLY A 50 -6.500 -6.402 -5.712 1.00 0.00 N ATOM 734 CA GLY A 50 -7.694 -5.598 -5.894 1.00 0.00 C ATOM 735 C GLY A 50 -7.731 -4.398 -4.968 1.00 0.00 C ATOM 736 O GLY A 50 -8.383 -3.396 -5.264 1.00 0.00 O ATOM 0 H GLY A 50 -6.603 -7.180 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.745 -5.257 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.575 -6.216 -5.719 1.00 0.00 H new ATOM 740 N VAL A 51 -7.032 -4.499 -3.842 1.00 0.00 N ATOM 741 CA VAL A 51 -6.988 -3.415 -2.869 1.00 0.00 C ATOM 742 C VAL A 51 -5.889 -2.414 -3.210 1.00 0.00 C ATOM 743 O VAL A 51 -5.959 -1.246 -2.829 1.00 0.00 O ATOM 744 CB VAL A 51 -6.757 -3.949 -1.443 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.425 -4.678 -1.356 1.00 0.00 C ATOM 746 CG2 VAL A 51 -6.820 -2.813 -0.433 1.00 0.00 C ATOM 0 H VAL A 51 -6.488 -5.322 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.956 -2.915 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.549 -4.660 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.279 -5.048 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.423 -5.517 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.617 -3.992 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.655 -3.208 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.050 -2.077 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.800 -2.339 -0.479 1.00 0.00 H new ATOM 756 N ILE A 52 -4.875 -2.881 -3.931 1.00 0.00 N ATOM 757 CA ILE A 52 -3.762 -2.027 -4.325 1.00 0.00 C ATOM 758 C ILE A 52 -4.214 -0.952 -5.308 1.00 0.00 C ATOM 759 O ILE A 52 -4.002 0.239 -5.081 1.00 0.00 O ATOM 760 CB ILE A 52 -2.624 -2.844 -4.964 1.00 0.00 C ATOM 761 CG1 ILE A 52 -2.050 -3.839 -3.953 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.533 -1.919 -5.482 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.192 -4.914 -4.582 1.00 0.00 C ATOM 0 H ILE A 52 -4.802 -3.846 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.392 -1.553 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.029 -3.404 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.456 -3.296 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.871 -4.311 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.736 -2.512 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.951 -1.247 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.129 -1.334 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.820 -5.583 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.787 -5.483 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.350 -4.452 -5.098 1.00 0.00 H new ATOM 775 N ARG A 53 -4.840 -1.381 -6.399 1.00 0.00 N ATOM 776 CA ARG A 53 -5.323 -0.456 -7.416 1.00 0.00 C ATOM 777 C ARG A 53 -6.073 0.710 -6.779 1.00 0.00 C ATOM 778 O ARG A 53 -6.132 1.804 -7.339 1.00 0.00 O ATOM 779 CB ARG A 53 -6.236 -1.183 -8.406 1.00 0.00 C ATOM 780 CG ARG A 53 -6.989 -0.249 -9.339 1.00 0.00 C ATOM 781 CD ARG A 53 -7.506 -0.985 -10.565 1.00 0.00 C ATOM 782 NE ARG A 53 -8.649 -0.306 -11.170 1.00 0.00 N ATOM 783 CZ ARG A 53 -9.895 -0.429 -10.728 1.00 0.00 C ATOM 784 NH1 ARG A 53 -10.159 -1.201 -9.683 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.882 0.222 -11.332 1.00 0.00 N ATOM 0 H ARG A 53 -5.024 -2.364 -6.601 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.459 -0.061 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.637 -1.872 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.955 -1.785 -7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.825 0.204 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.332 0.563 -9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.706 -1.072 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.793 -1.999 -10.285 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.481 0.296 -11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.404 -1.703 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.117 -1.293 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.683 0.817 -12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.839 0.127 -10.992 1.00 0.00 H new ATOM 799 N ARG A 54 -6.646 0.467 -5.604 1.00 0.00 N ATOM 800 CA ARG A 54 -7.393 1.495 -4.891 1.00 0.00 C ATOM 801 C ARG A 54 -6.460 2.363 -4.051 1.00 0.00 C ATOM 802 O ARG A 54 -6.250 3.538 -4.351 1.00 0.00 O ATOM 803 CB ARG A 54 -8.455 0.855 -3.995 1.00 0.00 C ATOM 804 CG ARG A 54 -9.707 0.429 -4.744 1.00 0.00 C ATOM 805 CD ARG A 54 -10.738 1.546 -4.786 1.00 0.00 C ATOM 806 NE ARG A 54 -11.647 1.496 -3.644 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.682 2.314 -3.492 1.00 0.00 C ATOM 808 NH1 ARG A 54 -12.939 3.240 -4.405 1.00 0.00 N ATOM 809 NH2 ARG A 54 -13.463 2.207 -2.424 1.00 0.00 N ATOM 0 H ARG A 54 -6.607 -0.433 -5.126 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.884 2.129 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.024 -0.015 -3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.732 1.562 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.443 0.138 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.139 -0.449 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.228 2.509 -4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.312 1.475 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.478 0.794 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.341 3.326 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.735 3.867 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.268 1.496 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.258 2.836 -2.308 1.00 0.00 H new ATOM 823 N VAL A 55 -5.902 1.775 -2.998 1.00 0.00 N ATOM 824 CA VAL A 55 -4.990 2.493 -2.115 1.00 0.00 C ATOM 825 C VAL A 55 -3.944 3.262 -2.914 1.00 0.00 C ATOM 826 O VAL A 55 -3.361 4.229 -2.423 1.00 0.00 O ATOM 827 CB VAL A 55 -4.276 1.533 -1.145 1.00 0.00 C ATOM 828 CG1 VAL A 55 -3.277 0.664 -1.893 1.00 0.00 C ATOM 829 CG2 VAL A 55 -3.590 2.313 -0.034 1.00 0.00 C ATOM 0 H VAL A 55 -6.065 0.803 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.593 3.196 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.022 0.880 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.782 -0.008 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.799 0.078 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.533 1.298 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.090 1.620 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.855 2.991 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.333 2.888 0.519 1.00 0.00 H new ATOM 839 N SER A 56 -3.712 2.827 -4.148 1.00 0.00 N ATOM 840 CA SER A 56 -2.733 3.473 -5.015 1.00 0.00 C ATOM 841 C SER A 56 -3.224 4.847 -5.459 1.00 0.00 C ATOM 842 O SER A 56 -2.471 5.821 -5.445 1.00 0.00 O ATOM 843 CB SER A 56 -2.449 2.600 -6.239 1.00 0.00 C ATOM 844 OG SER A 56 -3.505 2.683 -7.180 1.00 0.00 O ATOM 0 H SER A 56 -4.188 2.030 -4.570 1.00 0.00 H new ATOM 0 HA SER A 56 -1.811 3.602 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.516 2.915 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.316 1.564 -5.928 1.00 0.00 H new ATOM 0 HG SER A 56 -3.299 2.117 -7.953 1.00 0.00 H new ATOM 850 N GLN A 57 -4.491 4.917 -5.853 1.00 0.00 N ATOM 851 CA GLN A 57 -5.083 6.171 -6.302 1.00 0.00 C ATOM 852 C GLN A 57 -5.263 7.137 -5.136 1.00 0.00 C ATOM 853 O GLN A 57 -4.893 8.309 -5.224 1.00 0.00 O ATOM 854 CB GLN A 57 -6.432 5.911 -6.976 1.00 0.00 C ATOM 855 CG GLN A 57 -7.606 5.916 -6.011 1.00 0.00 C ATOM 856 CD GLN A 57 -8.930 5.652 -6.700 1.00 0.00 C ATOM 857 OE1 GLN A 57 -9.833 6.488 -6.676 1.00 0.00 O ATOM 858 NE2 GLN A 57 -9.052 4.483 -7.319 1.00 0.00 N ATOM 0 H GLN A 57 -5.127 4.120 -5.870 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.405 6.624 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.598 6.669 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.395 4.948 -7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.443 5.160 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.651 6.880 -5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.277 3.820 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.920 4.249 -7.800 1.00 0.00 H new ATOM 867 N LEU A 58 -5.832 6.639 -4.044 1.00 0.00 N ATOM 868 CA LEU A 58 -6.061 7.458 -2.859 1.00 0.00 C ATOM 869 C LEU A 58 -4.823 8.281 -2.518 1.00 0.00 C ATOM 870 O LEU A 58 -4.903 9.496 -2.334 1.00 0.00 O ATOM 871 CB LEU A 58 -6.443 6.575 -1.670 1.00 0.00 C ATOM 872 CG LEU A 58 -6.654 7.296 -0.338 1.00 0.00 C ATOM 873 CD1 LEU A 58 -8.012 7.981 -0.311 1.00 0.00 C ATOM 874 CD2 LEU A 58 -6.523 6.321 0.823 1.00 0.00 C ATOM 0 H LEU A 58 -6.143 5.672 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.882 8.142 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.359 6.040 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.663 5.825 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.883 8.059 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.144 8.489 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.068 8.709 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.798 7.236 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.676 6.852 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.271 5.535 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.527 5.877 0.815 1.00 0.00 H new ATOM 886 N PHE A 59 -3.678 7.612 -2.438 1.00 0.00 N ATOM 887 CA PHE A 59 -2.422 8.281 -2.120 1.00 0.00 C ATOM 888 C PHE A 59 -1.632 8.586 -3.390 1.00 0.00 C ATOM 889 O PHE A 59 -0.402 8.531 -3.398 1.00 0.00 O ATOM 890 CB PHE A 59 -1.581 7.415 -1.180 1.00 0.00 C ATOM 891 CG PHE A 59 -2.316 6.988 0.058 1.00 0.00 C ATOM 892 CD1 PHE A 59 -3.095 7.891 0.764 1.00 0.00 C ATOM 893 CD2 PHE A 59 -2.229 5.683 0.516 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.771 7.500 1.904 1.00 0.00 C ATOM 895 CE2 PHE A 59 -2.904 5.287 1.656 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.677 6.196 2.350 1.00 0.00 C ATOM 0 H PHE A 59 -3.594 6.607 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.657 9.222 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.246 6.528 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.688 7.969 -0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.175 8.911 0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.627 4.967 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.373 8.214 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.826 4.267 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.207 5.888 3.239 1.00 0.00 H new ATOM 906 N HIS A 60 -2.349 8.909 -4.462 1.00 0.00 N ATOM 907 CA HIS A 60 -1.716 9.223 -5.738 1.00 0.00 C ATOM 908 C HIS A 60 -0.633 10.283 -5.561 1.00 0.00 C ATOM 909 O HIS A 60 0.406 10.236 -6.218 1.00 0.00 O ATOM 910 CB HIS A 60 -2.761 9.708 -6.744 1.00 0.00 C ATOM 911 CG HIS A 60 -3.429 10.987 -6.344 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.934 11.388 -5.153 1.00 0.00 N flip ATOM 913 CD2 HIS A 60 -3.642 12.031 -7.219 1.00 0.00 C flip ATOM 914 CE1 HIS A 60 -4.437 12.653 -5.329 1.00 0.00 C flip ATOM 915 NE2 HIS A 60 -4.248 13.019 -6.585 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.368 8.960 -4.472 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.251 8.314 -6.118 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.283 9.845 -7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.519 8.935 -6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.358 12.040 -8.261 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.910 13.252 -4.565 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.523 13.912 -6.995 1.00 0.00 H new ATOM 924 N GLU A 61 -0.885 11.237 -4.671 1.00 0.00 N ATOM 925 CA GLU A 61 0.068 12.309 -4.410 1.00 0.00 C ATOM 926 C GLU A 61 1.236 11.805 -3.566 1.00 0.00 C ATOM 927 O GLU A 61 2.344 12.337 -3.638 1.00 0.00 O ATOM 928 CB GLU A 61 -0.623 13.475 -3.699 1.00 0.00 C ATOM 929 CG GLU A 61 -1.453 14.347 -4.626 1.00 0.00 C ATOM 930 CD GLU A 61 -2.225 15.419 -3.882 1.00 0.00 C ATOM 931 OE1 GLU A 61 -1.588 16.231 -3.180 1.00 0.00 O ATOM 932 OE2 GLU A 61 -3.468 15.445 -4.003 1.00 0.00 O ATOM 0 H GLU A 61 -1.741 11.290 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 61 0.456 12.656 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.266 13.080 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.132 14.092 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.798 14.819 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.151 13.720 -5.180 1.00 0.00 H new ATOM 939 N HIS A 62 0.979 10.775 -2.766 1.00 0.00 N ATOM 940 CA HIS A 62 2.008 10.198 -1.908 1.00 0.00 C ATOM 941 C HIS A 62 2.468 8.846 -2.445 1.00 0.00 C ATOM 942 O HIS A 62 1.974 7.791 -2.045 1.00 0.00 O ATOM 943 CB HIS A 62 1.482 10.041 -0.481 1.00 0.00 C ATOM 944 CG HIS A 62 0.738 11.241 0.018 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.245 12.099 0.970 1.00 0.00 N ATOM 946 CD2 HIS A 62 -0.484 11.724 -0.309 1.00 0.00 C ATOM 947 CE1 HIS A 62 0.368 13.058 1.208 1.00 0.00 C ATOM 948 NE2 HIS A 62 -0.690 12.854 0.444 1.00 0.00 N ATOM 0 H HIS A 62 0.067 10.323 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 62 2.862 10.875 -1.900 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.825 9.172 -0.438 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.320 9.840 0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.169 11.300 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.495 13.871 1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.524 13.440 0.418 1.00 0.00 H new ATOM 957 N PRO A 63 3.435 8.875 -3.373 1.00 0.00 N ATOM 958 CA PRO A 63 3.983 7.661 -3.985 1.00 0.00 C ATOM 959 C PRO A 63 4.814 6.842 -3.004 1.00 0.00 C ATOM 960 O PRO A 63 4.952 5.628 -3.155 1.00 0.00 O ATOM 961 CB PRO A 63 4.865 8.199 -5.114 1.00 0.00 C ATOM 962 CG PRO A 63 5.244 9.572 -4.677 1.00 0.00 C ATOM 963 CD PRO A 63 4.070 10.097 -3.897 1.00 0.00 C ATOM 0 HA PRO A 63 3.197 6.986 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.745 7.573 -5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.327 8.220 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.144 9.551 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.459 10.209 -5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.386 10.762 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.388 10.664 -4.530 1.00 0.00 H new ATOM 971 N ASP A 64 5.365 7.512 -1.998 1.00 0.00 N ATOM 972 CA ASP A 64 6.181 6.846 -0.990 1.00 0.00 C ATOM 973 C ASP A 64 5.326 5.937 -0.113 1.00 0.00 C ATOM 974 O ASP A 64 5.784 4.889 0.345 1.00 0.00 O ATOM 975 CB ASP A 64 6.904 7.878 -0.124 1.00 0.00 C ATOM 976 CG ASP A 64 5.950 8.682 0.736 1.00 0.00 C ATOM 977 OD1 ASP A 64 4.965 9.220 0.188 1.00 0.00 O ATOM 978 OD2 ASP A 64 6.187 8.773 1.959 1.00 0.00 O ATOM 0 H ASP A 64 5.261 8.517 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 64 6.921 6.233 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.625 7.370 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.469 8.555 -0.765 1.00 0.00 H new ATOM 983 N LEU A 65 4.084 6.345 0.119 1.00 0.00 N ATOM 984 CA LEU A 65 3.164 5.568 0.943 1.00 0.00 C ATOM 985 C LEU A 65 2.644 4.353 0.181 1.00 0.00 C ATOM 986 O LEU A 65 2.630 3.239 0.706 1.00 0.00 O ATOM 987 CB LEU A 65 1.992 6.441 1.396 1.00 0.00 C ATOM 988 CG LEU A 65 2.181 7.184 2.719 1.00 0.00 C ATOM 989 CD1 LEU A 65 1.396 8.487 2.716 1.00 0.00 C ATOM 990 CD2 LEU A 65 1.757 6.307 3.888 1.00 0.00 C ATOM 0 H LEU A 65 3.690 7.210 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 65 3.708 5.218 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.789 7.175 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.107 5.811 1.479 1.00 0.00 H new ATOM 0 HG LEU A 65 3.239 7.421 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.542 9.002 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.746 9.121 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.336 8.273 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.898 6.852 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.706 6.039 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.363 5.401 3.901 1.00 0.00 H new ATOM 1002 N ILE A 66 2.220 4.576 -1.058 1.00 0.00 N ATOM 1003 CA ILE A 66 1.702 3.499 -1.893 1.00 0.00 C ATOM 1004 C ILE A 66 2.650 2.305 -1.900 1.00 0.00 C ATOM 1005 O ILE A 66 2.224 1.159 -1.756 1.00 0.00 O ATOM 1006 CB ILE A 66 1.475 3.969 -3.341 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.419 5.076 -3.382 1.00 0.00 C ATOM 1008 CG2 ILE A 66 1.057 2.798 -4.219 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.281 5.730 -4.739 1.00 0.00 C ATOM 0 H ILE A 66 2.225 5.492 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 66 0.746 3.198 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 66 2.411 4.372 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.544 4.659 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.674 5.838 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.900 3.146 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.840 2.039 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.131 2.368 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.485 6.504 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.233 6.177 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.005 4.980 -5.477 1.00 0.00 H new ATOM 1021 N VAL A 67 3.940 2.581 -2.067 1.00 0.00 N ATOM 1022 CA VAL A 67 4.950 1.531 -2.090 1.00 0.00 C ATOM 1023 C VAL A 67 5.084 0.867 -0.724 1.00 0.00 C ATOM 1024 O VAL A 67 5.211 -0.353 -0.625 1.00 0.00 O ATOM 1025 CB VAL A 67 6.324 2.082 -2.518 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.387 0.999 -2.422 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.254 2.649 -3.928 1.00 0.00 C ATOM 0 H VAL A 67 4.310 3.524 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 67 4.620 0.791 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 67 6.600 2.889 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.350 1.407 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.453 0.644 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.120 0.168 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.233 3.034 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.956 1.863 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.523 3.457 -3.959 1.00 0.00 H new ATOM 1037 N GLY A 68 5.056 1.679 0.328 1.00 0.00 N ATOM 1038 CA GLY A 68 5.175 1.153 1.675 1.00 0.00 C ATOM 1039 C GLY A 68 4.201 0.022 1.944 1.00 0.00 C ATOM 1040 O GLY A 68 4.575 -1.010 2.501 1.00 0.00 O ATOM 0 H GLY A 68 4.953 2.692 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.193 0.797 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.002 1.956 2.392 1.00 0.00 H new ATOM 1044 N PHE A 69 2.947 0.217 1.548 1.00 0.00 N ATOM 1045 CA PHE A 69 1.916 -0.793 1.753 1.00 0.00 C ATOM 1046 C PHE A 69 2.459 -2.190 1.467 1.00 0.00 C ATOM 1047 O PHE A 69 2.301 -3.106 2.274 1.00 0.00 O ATOM 1048 CB PHE A 69 0.710 -0.510 0.855 1.00 0.00 C ATOM 1049 CG PHE A 69 -0.461 -1.412 1.121 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -1.046 -1.458 2.377 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -0.977 -2.214 0.117 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -2.124 -2.287 2.626 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -2.055 -3.045 0.359 1.00 0.00 C ATOM 1054 CZ PHE A 69 -2.628 -3.082 1.616 1.00 0.00 C ATOM 0 H PHE A 69 2.621 1.065 1.084 1.00 0.00 H new ATOM 0 HA PHE A 69 1.603 -0.750 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.399 0.526 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.011 -0.616 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.655 -0.839 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.532 -2.190 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.571 -2.313 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.449 -3.664 -0.433 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.469 -3.732 1.808 1.00 0.00 H new ATOM 1064 N ASN A 70 3.100 -2.345 0.313 1.00 0.00 N ATOM 1065 CA ASN A 70 3.666 -3.631 -0.080 1.00 0.00 C ATOM 1066 C ASN A 70 4.703 -4.102 0.935 1.00 0.00 C ATOM 1067 O ASN A 70 4.532 -5.138 1.576 1.00 0.00 O ATOM 1068 CB ASN A 70 4.304 -3.527 -1.467 1.00 0.00 C ATOM 1069 CG ASN A 70 3.371 -2.905 -2.488 1.00 0.00 C ATOM 1070 OD1 ASN A 70 2.258 -3.387 -2.704 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.821 -1.828 -3.122 1.00 0.00 N ATOM 0 H ASN A 70 3.241 -1.597 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 70 2.858 -4.362 -0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.215 -2.932 -1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.597 -4.521 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.238 -1.366 -3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.750 -1.463 -2.911 1.00 0.00 H new ATOM 1078 N ALA A 71 5.778 -3.333 1.075 1.00 0.00 N ATOM 1079 CA ALA A 71 6.841 -3.670 2.014 1.00 0.00 C ATOM 1080 C ALA A 71 6.268 -4.179 3.332 1.00 0.00 C ATOM 1081 O ALA A 71 6.596 -5.278 3.780 1.00 0.00 O ATOM 1082 CB ALA A 71 7.734 -2.462 2.255 1.00 0.00 C ATOM 0 H ALA A 71 5.936 -2.473 0.550 1.00 0.00 H new ATOM 0 HA ALA A 71 7.440 -4.469 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.523 -2.728 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.179 -2.145 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.140 -1.647 2.668 1.00 0.00 H new ATOM 1088 N PHE A 72 5.412 -3.372 3.950 1.00 0.00 N ATOM 1089 CA PHE A 72 4.795 -3.741 5.219 1.00 0.00 C ATOM 1090 C PHE A 72 4.181 -5.136 5.141 1.00 0.00 C ATOM 1091 O PHE A 72 4.605 -6.053 5.846 1.00 0.00 O ATOM 1092 CB PHE A 72 3.722 -2.720 5.604 1.00 0.00 C ATOM 1093 CG PHE A 72 2.739 -3.237 6.616 1.00 0.00 C ATOM 1094 CD1 PHE A 72 3.127 -3.459 7.927 1.00 0.00 C ATOM 1095 CD2 PHE A 72 1.427 -3.499 6.256 1.00 0.00 C ATOM 1096 CE1 PHE A 72 2.225 -3.935 8.860 1.00 0.00 C ATOM 1097 CE2 PHE A 72 0.520 -3.975 7.184 1.00 0.00 C ATOM 1098 CZ PHE A 72 0.919 -4.192 8.488 1.00 0.00 C ATOM 0 H PHE A 72 5.130 -2.459 3.593 1.00 0.00 H new ATOM 0 HA PHE A 72 5.572 -3.748 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.206 -1.828 6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.182 -2.416 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.146 -3.258 8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.109 -3.329 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.540 -4.106 9.879 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.499 -4.177 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.212 -4.562 9.216 1.00 0.00 H new ATOM 1108 N LEU A 73 3.181 -5.288 4.280 1.00 0.00 N ATOM 1109 CA LEU A 73 2.508 -6.571 4.109 1.00 0.00 C ATOM 1110 C LEU A 73 3.512 -7.719 4.119 1.00 0.00 C ATOM 1111 O LEU A 73 4.198 -7.985 3.132 1.00 0.00 O ATOM 1112 CB LEU A 73 1.716 -6.583 2.800 1.00 0.00 C ATOM 1113 CG LEU A 73 0.413 -5.782 2.797 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -0.087 -5.583 1.374 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -0.643 -6.477 3.643 1.00 0.00 C ATOM 0 H LEU A 73 2.818 -4.539 3.690 1.00 0.00 H new ATOM 0 HA LEU A 73 1.821 -6.707 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.357 -6.199 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.484 -7.618 2.549 1.00 0.00 H new ATOM 0 HG LEU A 73 0.610 -4.802 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.015 -5.011 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.663 -5.041 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.268 -6.554 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.563 -5.893 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.838 -7.470 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.286 -6.567 4.669 1.00 0.00 H new ATOM 1127 N PRO A 74 3.601 -8.418 5.260 1.00 0.00 N ATOM 1128 CA PRO A 74 4.517 -9.550 5.426 1.00 0.00 C ATOM 1129 C PRO A 74 4.094 -10.762 4.602 1.00 0.00 C ATOM 1130 O PRO A 74 3.187 -11.500 4.986 1.00 0.00 O ATOM 1131 CB PRO A 74 4.427 -9.863 6.922 1.00 0.00 C ATOM 1132 CG PRO A 74 3.086 -9.361 7.334 1.00 0.00 C ATOM 1133 CD PRO A 74 2.814 -8.156 6.477 1.00 0.00 C ATOM 0 HA PRO A 74 5.525 -9.312 5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.524 -10.932 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.223 -9.368 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.322 -10.124 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.076 -9.098 8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.752 -8.053 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.128 -7.235 6.968 1.00 0.00 H new ATOM 1141 N SER A 75 4.758 -10.962 3.468 1.00 0.00 N ATOM 1142 CA SER A 75 4.449 -12.083 2.588 1.00 0.00 C ATOM 1143 C SER A 75 5.128 -13.359 3.075 1.00 0.00 C ATOM 1144 O SER A 75 6.327 -13.552 2.877 1.00 0.00 O ATOM 1145 CB SER A 75 4.889 -11.771 1.157 1.00 0.00 C ATOM 1146 OG SER A 75 4.003 -10.855 0.538 1.00 0.00 O ATOM 0 H SER A 75 5.514 -10.362 3.137 1.00 0.00 H new ATOM 0 HA SER A 75 3.370 -12.238 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.897 -11.357 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.928 -12.693 0.576 1.00 0.00 H new ATOM 0 HG SER A 75 4.308 -10.671 -0.375 1.00 0.00 H new ATOM 1152 N GLY A 76 4.352 -14.229 3.714 1.00 0.00 N ATOM 1153 CA GLY A 76 4.895 -15.476 4.220 1.00 0.00 C ATOM 1154 C GLY A 76 5.240 -16.450 3.112 1.00 0.00 C ATOM 1155 O GLY A 76 5.446 -16.066 1.960 1.00 0.00 O ATOM 0 H GLY A 76 3.357 -14.092 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.789 -15.267 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.172 -15.937 4.893 1.00 0.00 H new ATOM 1159 N PRO A 77 5.309 -17.744 3.456 1.00 0.00 N ATOM 1160 CA PRO A 77 5.634 -18.803 2.496 1.00 0.00 C ATOM 1161 C PRO A 77 4.515 -19.031 1.485 1.00 0.00 C ATOM 1162 O PRO A 77 3.475 -19.601 1.814 1.00 0.00 O ATOM 1163 CB PRO A 77 5.816 -20.040 3.379 1.00 0.00 C ATOM 1164 CG PRO A 77 5.002 -19.760 4.595 1.00 0.00 C ATOM 1165 CD PRO A 77 5.076 -18.274 4.810 1.00 0.00 C ATOM 0 HA PRO A 77 6.512 -18.556 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.473 -20.942 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.865 -20.195 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.970 -20.083 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.392 -20.299 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.154 -17.884 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.884 -18.006 5.491 1.00 0.00 H new ATOM 1173 N SER A 78 4.736 -18.583 0.253 1.00 0.00 N ATOM 1174 CA SER A 78 3.745 -18.735 -0.805 1.00 0.00 C ATOM 1175 C SER A 78 4.010 -19.997 -1.620 1.00 0.00 C ATOM 1176 O SER A 78 5.046 -20.644 -1.464 1.00 0.00 O ATOM 1177 CB SER A 78 3.755 -17.511 -1.722 1.00 0.00 C ATOM 1178 OG SER A 78 2.475 -17.287 -2.288 1.00 0.00 O ATOM 0 H SER A 78 5.593 -18.112 -0.037 1.00 0.00 H new ATOM 0 HA SER A 78 2.763 -18.823 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.065 -16.632 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.487 -17.654 -2.516 1.00 0.00 H new ATOM 0 HG SER A 78 2.508 -16.498 -2.869 1.00 0.00 H new ATOM 1184 N SER A 79 3.066 -20.342 -2.490 1.00 0.00 N ATOM 1185 CA SER A 79 3.195 -21.528 -3.328 1.00 0.00 C ATOM 1186 C SER A 79 3.458 -21.142 -4.780 1.00 0.00 C ATOM 1187 O SER A 79 2.937 -20.142 -5.273 1.00 0.00 O ATOM 1188 CB SER A 79 1.928 -22.382 -3.237 1.00 0.00 C ATOM 1189 OG SER A 79 0.792 -21.656 -3.672 1.00 0.00 O ATOM 0 H SER A 79 2.203 -19.817 -2.633 1.00 0.00 H new ATOM 0 HA SER A 79 4.044 -22.108 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.045 -23.279 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.781 -22.712 -2.209 1.00 0.00 H new ATOM 0 HG SER A 79 -0.004 -22.224 -3.606 1.00 0.00 H new ATOM 1195 N GLY A 80 4.272 -21.943 -5.461 1.00 0.00 N ATOM 1196 CA GLY A 80 4.592 -21.670 -6.850 1.00 0.00 C ATOM 1197 C GLY A 80 5.959 -22.193 -7.244 1.00 0.00 C ATOM 1198 O GLY A 80 6.397 -22.012 -8.380 1.00 0.00 O ATOM 0 H GLY A 80 4.716 -22.776 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.835 -22.123 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.554 -20.595 -7.024 1.00 0.00 H new TER 1202 GLY A 80