USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 Single : A 1 MET CE :methyl -168:sc= -0.0185 (180deg=-0.234) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0622) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 19 CYS SG : rot 170:sc= -1.76! USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.0506 (180deg=-0.253) USER MOD Single : A 24 SER OG : rot -33:sc= 0.349 USER MOD Single : A 27 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.36) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0592 (180deg=-0.398) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.708! (180deg=-2.34!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= -0.854 (180deg=-0.918) USER MOD Single : A 53 GLN : amide:sc= -0.855 K(o=-0.86,f=-2) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0661) USER MOD Single : A 56 SER OG : rot 141:sc= 1.26 USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.254 (180deg=-0.837) USER MOD Single : A 69 GLN : amide:sc= -2.71! K(o=-2.7!,f=-0.68) USER MOD Single : A 70 ASN : amide:sc= 0.611 K(o=0.61,f=-0.57) USER MOD Single : A 72 SER OG : rot 51:sc= 1.23 USER MOD Single : A 79 SER OG : rot -63:sc= 0.308 USER MOD Single : A 83 THR OG1 : rot 80:sc= 1.31 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc=-0.00369 (180deg=-0.126) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.0254 (180deg=-0.305) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00297) USER MOD Single : A 106 MET CE :methyl -118:sc= -1.5 (180deg=-5.25!) USER MOD Single : A 108 LYS NZ :NH3+ -139:sc= -0.0406 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.080 7.404 2.560 1.00 0.00 N ATOM 2 CA MET A 1 -21.020 6.614 1.733 1.00 0.00 C ATOM 3 C MET A 1 -20.288 6.031 0.536 1.00 0.00 C ATOM 4 O MET A 1 -19.474 6.719 -0.084 1.00 0.00 O ATOM 5 CB MET A 1 -22.187 7.483 1.258 1.00 0.00 C ATOM 6 CG MET A 1 -22.978 8.118 2.391 1.00 0.00 C ATOM 7 SD MET A 1 -23.576 6.913 3.595 1.00 0.00 S ATOM 8 CE MET A 1 -24.668 5.919 2.584 1.00 0.00 C ATOM 0 H1 MET A 1 -20.549 7.687 3.444 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.243 6.827 2.781 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.787 8.253 2.037 1.00 0.00 H new ATOM 0 HA MET A 1 -21.420 5.804 2.342 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.802 8.270 0.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.860 6.874 0.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.351 8.850 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.827 8.660 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.270 5.274 3.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.324 6.571 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.077 5.306 1.904 1.00 0.00 H new ATOM 20 N ALA A 2 -20.582 4.763 0.226 1.00 0.00 N ATOM 21 CA ALA A 2 -19.900 4.015 -0.837 1.00 0.00 C ATOM 22 C ALA A 2 -18.442 3.757 -0.464 1.00 0.00 C ATOM 23 O ALA A 2 -18.061 2.634 -0.131 1.00 0.00 O ATOM 24 CB ALA A 2 -20.002 4.732 -2.180 1.00 0.00 C ATOM 0 H ALA A 2 -21.302 4.225 0.707 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.402 3.053 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.486 4.150 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.051 4.842 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.542 5.717 -2.102 1.00 0.00 H new ATOM 30 N PHE A 3 -17.637 4.805 -0.509 1.00 0.00 N ATOM 31 CA PHE A 3 -16.254 4.735 -0.078 1.00 0.00 C ATOM 32 C PHE A 3 -16.061 5.620 1.143 1.00 0.00 C ATOM 33 O PHE A 3 -16.165 6.845 1.059 1.00 0.00 O ATOM 34 CB PHE A 3 -15.308 5.158 -1.204 1.00 0.00 C ATOM 35 CG PHE A 3 -15.268 4.187 -2.351 1.00 0.00 C ATOM 36 CD1 PHE A 3 -14.372 3.130 -2.346 1.00 0.00 C ATOM 37 CD2 PHE A 3 -16.124 4.330 -3.432 1.00 0.00 C ATOM 38 CE1 PHE A 3 -14.330 2.234 -3.396 1.00 0.00 C ATOM 39 CE2 PHE A 3 -16.087 3.436 -4.485 1.00 0.00 C ATOM 40 CZ PHE A 3 -15.188 2.388 -4.467 1.00 0.00 C ATOM 0 H PHE A 3 -17.924 5.725 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 3 -16.017 3.704 0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.614 6.136 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.302 5.272 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -13.698 3.005 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.828 5.149 -3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.627 1.414 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -16.760 3.557 -5.321 1.00 0.00 H new ATOM 0 HZ PHE A 3 -15.156 1.689 -5.290 1.00 0.00 H new ATOM 50 N ALA A 4 -15.818 4.988 2.280 1.00 0.00 N ATOM 51 CA ALA A 4 -15.657 5.699 3.538 1.00 0.00 C ATOM 52 C ALA A 4 -14.283 6.354 3.622 1.00 0.00 C ATOM 53 O ALA A 4 -13.488 6.284 2.683 1.00 0.00 O ATOM 54 CB ALA A 4 -15.853 4.740 4.703 1.00 0.00 C ATOM 0 H ALA A 4 -15.727 3.975 2.357 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.411 6.485 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.731 5.279 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.854 4.312 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.114 3.941 4.645 1.00 0.00 H new ATOM 60 N GLY A 5 -13.999 6.963 4.768 1.00 0.00 N ATOM 61 CA GLY A 5 -12.721 7.612 4.979 1.00 0.00 C ATOM 62 C GLY A 5 -11.603 6.621 5.240 1.00 0.00 C ATOM 63 O GLY A 5 -10.561 6.983 5.789 1.00 0.00 O ATOM 0 H GLY A 5 -14.639 7.018 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.473 8.212 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.800 8.297 5.823 1.00 0.00 H new ATOM 67 N ILE A 6 -11.832 5.366 4.858 1.00 0.00 N ATOM 68 CA ILE A 6 -10.806 4.336 4.917 1.00 0.00 C ATOM 69 C ILE A 6 -9.632 4.754 4.044 1.00 0.00 C ATOM 70 O ILE A 6 -8.471 4.516 4.369 1.00 0.00 O ATOM 71 CB ILE A 6 -11.353 2.977 4.426 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.534 2.526 5.291 1.00 0.00 C ATOM 73 CG2 ILE A 6 -10.259 1.916 4.432 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.140 2.105 6.688 1.00 0.00 C ATOM 0 H ILE A 6 -12.730 5.039 4.501 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.486 4.222 5.953 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.701 3.105 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.256 3.340 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.036 1.693 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.669 0.969 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.448 2.226 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.876 1.794 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.029 1.799 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.442 1.270 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.665 2.942 7.200 1.00 0.00 H new ATOM 86 N LEU A 7 -9.954 5.396 2.936 1.00 0.00 N ATOM 87 CA LEU A 7 -8.947 5.931 2.046 1.00 0.00 C ATOM 88 C LEU A 7 -9.412 7.270 1.501 1.00 0.00 C ATOM 89 O LEU A 7 -10.605 7.475 1.269 1.00 0.00 O ATOM 90 CB LEU A 7 -8.591 4.932 0.911 1.00 0.00 C ATOM 91 CG LEU A 7 -9.647 4.625 -0.187 1.00 0.00 C ATOM 92 CD1 LEU A 7 -11.021 4.321 0.393 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.724 5.744 -1.218 1.00 0.00 C ATOM 0 H LEU A 7 -10.914 5.559 2.632 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.027 6.087 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.698 5.307 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.320 3.986 1.380 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.309 3.721 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.720 4.114 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.956 3.452 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.373 5.180 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.473 5.495 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.002 6.675 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.753 5.864 -1.698 1.00 0.00 H new ATOM 105 N ASN A 8 -8.485 8.191 1.344 1.00 0.00 N ATOM 106 CA ASN A 8 -8.792 9.481 0.755 1.00 0.00 C ATOM 107 C ASN A 8 -8.344 9.492 -0.691 1.00 0.00 C ATOM 108 O ASN A 8 -7.148 9.496 -0.977 1.00 0.00 O ATOM 109 CB ASN A 8 -8.119 10.610 1.533 1.00 0.00 C ATOM 110 CG ASN A 8 -8.889 10.979 2.785 1.00 0.00 C ATOM 111 OD1 ASN A 8 -9.691 11.912 2.788 1.00 0.00 O ATOM 112 ND2 ASN A 8 -8.684 10.217 3.842 1.00 0.00 N ATOM 0 H ASN A 8 -7.509 8.072 1.616 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.869 9.643 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.108 10.309 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.028 11.487 0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.200 10.392 4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.009 9.453 3.797 1.00 0.00 H new ATOM 119 N ASP A 9 -9.318 9.479 -1.598 1.00 0.00 N ATOM 120 CA ASP A 9 -9.053 9.435 -3.035 1.00 0.00 C ATOM 121 C ASP A 9 -8.067 10.517 -3.443 1.00 0.00 C ATOM 122 O ASP A 9 -7.237 10.310 -4.322 1.00 0.00 O ATOM 123 CB ASP A 9 -10.349 9.605 -3.831 1.00 0.00 C ATOM 124 CG ASP A 9 -11.277 8.413 -3.721 1.00 0.00 C ATOM 125 OD1 ASP A 9 -12.052 8.342 -2.742 1.00 0.00 O ATOM 126 OD2 ASP A 9 -11.251 7.552 -4.627 1.00 0.00 O ATOM 0 H ASP A 9 -10.310 9.499 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.620 8.460 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.869 10.496 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.104 9.771 -4.880 1.00 0.00 H new ATOM 131 N ALA A 10 -8.163 11.665 -2.787 1.00 0.00 N ATOM 132 CA ALA A 10 -7.262 12.777 -3.041 1.00 0.00 C ATOM 133 C ALA A 10 -5.832 12.436 -2.636 1.00 0.00 C ATOM 134 O ALA A 10 -4.894 12.688 -3.391 1.00 0.00 O ATOM 135 CB ALA A 10 -7.741 14.009 -2.294 1.00 0.00 C ATOM 0 H ALA A 10 -8.863 11.850 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.265 12.981 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.062 14.839 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.743 14.273 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.763 13.800 -1.224 1.00 0.00 H new ATOM 141 N ASP A 11 -5.671 11.850 -1.450 1.00 0.00 N ATOM 142 CA ASP A 11 -4.348 11.471 -0.949 1.00 0.00 C ATOM 143 C ASP A 11 -3.722 10.411 -1.834 1.00 0.00 C ATOM 144 O ASP A 11 -2.534 10.469 -2.153 1.00 0.00 O ATOM 145 CB ASP A 11 -4.422 10.958 0.494 1.00 0.00 C ATOM 146 CG ASP A 11 -4.374 12.069 1.526 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.408 12.729 1.753 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.297 12.287 2.121 1.00 0.00 O ATOM 0 H ASP A 11 -6.439 11.627 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.726 12.366 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.343 10.390 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.595 10.270 0.671 1.00 0.00 H new ATOM 153 N ILE A 12 -4.533 9.446 -2.223 1.00 0.00 N ATOM 154 CA ILE A 12 -4.107 8.412 -3.149 1.00 0.00 C ATOM 155 C ILE A 12 -3.673 9.040 -4.473 1.00 0.00 C ATOM 156 O ILE A 12 -2.544 8.846 -4.918 1.00 0.00 O ATOM 157 CB ILE A 12 -5.241 7.385 -3.378 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.269 6.333 -2.261 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.107 6.697 -4.731 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.599 6.874 -0.887 1.00 0.00 C ATOM 0 H ILE A 12 -5.499 9.356 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.256 7.886 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.180 7.938 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.001 5.568 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.297 5.842 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.920 5.982 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.152 7.443 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.153 6.173 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.595 6.058 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.854 7.616 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.585 7.338 -0.906 1.00 0.00 H new ATOM 172 N THR A 13 -4.567 9.819 -5.074 1.00 0.00 N ATOM 173 CA THR A 13 -4.288 10.511 -6.325 1.00 0.00 C ATOM 174 C THR A 13 -3.015 11.363 -6.229 1.00 0.00 C ATOM 175 O THR A 13 -2.260 11.470 -7.196 1.00 0.00 O ATOM 176 CB THR A 13 -5.479 11.403 -6.723 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.665 10.605 -6.860 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.210 12.131 -8.027 1.00 0.00 C ATOM 0 H THR A 13 -5.504 9.987 -4.707 1.00 0.00 H new ATOM 0 HA THR A 13 -4.132 9.750 -7.090 1.00 0.00 H new ATOM 0 HB THR A 13 -5.620 12.144 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.013 10.381 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.069 12.752 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.327 12.760 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.041 11.404 -8.821 1.00 0.00 H new ATOM 186 N ALA A 14 -2.777 11.952 -5.060 1.00 0.00 N ATOM 187 CA ALA A 14 -1.578 12.752 -4.837 1.00 0.00 C ATOM 188 C ALA A 14 -0.324 11.900 -5.006 1.00 0.00 C ATOM 189 O ALA A 14 0.639 12.313 -5.657 1.00 0.00 O ATOM 190 CB ALA A 14 -1.608 13.385 -3.453 1.00 0.00 C ATOM 0 H ALA A 14 -3.399 11.890 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.555 13.548 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.706 13.978 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.483 14.029 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.656 12.602 -2.696 1.00 0.00 H new ATOM 196 N ALA A 15 -0.350 10.704 -4.431 1.00 0.00 N ATOM 197 CA ALA A 15 0.754 9.764 -4.568 1.00 0.00 C ATOM 198 C ALA A 15 0.910 9.331 -6.022 1.00 0.00 C ATOM 199 O ALA A 15 2.024 9.233 -6.534 1.00 0.00 O ATOM 200 CB ALA A 15 0.534 8.557 -3.671 1.00 0.00 C ATOM 0 H ALA A 15 -1.126 10.362 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 15 1.674 10.261 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.367 7.863 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.471 8.882 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.394 8.059 -3.952 1.00 0.00 H new ATOM 206 N LEU A 16 -0.219 9.096 -6.686 1.00 0.00 N ATOM 207 CA LEU A 16 -0.226 8.727 -8.101 1.00 0.00 C ATOM 208 C LEU A 16 0.308 9.866 -8.967 1.00 0.00 C ATOM 209 O LEU A 16 0.789 9.641 -10.073 1.00 0.00 O ATOM 210 CB LEU A 16 -1.641 8.353 -8.564 1.00 0.00 C ATOM 211 CG LEU A 16 -2.092 6.907 -8.302 1.00 0.00 C ATOM 212 CD1 LEU A 16 -1.156 5.914 -8.973 1.00 0.00 C ATOM 213 CD2 LEU A 16 -2.191 6.621 -6.816 1.00 0.00 C ATOM 0 H LEU A 16 -1.146 9.155 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 16 0.426 7.861 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.348 9.024 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.710 8.542 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.085 6.790 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.498 4.899 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.151 6.089 -10.049 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.147 6.042 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.512 5.590 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.216 6.769 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.916 7.297 -6.363 1.00 0.00 H new ATOM 225 N ALA A 17 0.209 11.089 -8.461 1.00 0.00 N ATOM 226 CA ALA A 17 0.710 12.253 -9.175 1.00 0.00 C ATOM 227 C ALA A 17 2.231 12.315 -9.114 1.00 0.00 C ATOM 228 O ALA A 17 2.886 12.712 -10.078 1.00 0.00 O ATOM 229 CB ALA A 17 0.105 13.526 -8.603 1.00 0.00 C ATOM 0 H ALA A 17 -0.215 11.299 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 17 0.415 12.164 -10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.490 14.388 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.980 13.489 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.371 13.614 -7.550 1.00 0.00 H new ATOM 235 N ALA A 18 2.789 11.923 -7.978 1.00 0.00 N ATOM 236 CA ALA A 18 4.234 11.901 -7.807 1.00 0.00 C ATOM 237 C ALA A 18 4.832 10.655 -8.447 1.00 0.00 C ATOM 238 O ALA A 18 5.980 10.660 -8.899 1.00 0.00 O ATOM 239 CB ALA A 18 4.594 11.967 -6.331 1.00 0.00 C ATOM 0 H ALA A 18 2.262 11.616 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 18 4.653 12.775 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.678 11.950 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.200 12.888 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.162 11.111 -5.813 1.00 0.00 H new ATOM 245 N CYS A 19 4.039 9.596 -8.488 1.00 0.00 N ATOM 246 CA CYS A 19 4.471 8.326 -9.043 1.00 0.00 C ATOM 247 C CYS A 19 3.633 7.967 -10.267 1.00 0.00 C ATOM 248 O CYS A 19 2.905 6.978 -10.268 1.00 0.00 O ATOM 249 CB CYS A 19 4.352 7.230 -7.982 1.00 0.00 C ATOM 250 SG CYS A 19 5.276 7.576 -6.465 1.00 0.00 S ATOM 0 H CYS A 19 3.081 9.594 -8.138 1.00 0.00 H new ATOM 0 HA CYS A 19 5.513 8.412 -9.352 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.300 7.093 -7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.705 6.289 -8.404 1.00 0.00 H new ATOM 0 HG CYS A 19 4.950 6.711 -5.551 1.00 0.00 H new ATOM 256 N LYS A 20 3.725 8.794 -11.299 1.00 0.00 N ATOM 257 CA LYS A 20 2.985 8.569 -12.527 1.00 0.00 C ATOM 258 C LYS A 20 3.934 8.156 -13.655 1.00 0.00 C ATOM 259 O LYS A 20 3.519 7.958 -14.797 1.00 0.00 O ATOM 260 CB LYS A 20 2.228 9.842 -12.908 1.00 0.00 C ATOM 261 CG LYS A 20 1.247 9.648 -14.044 1.00 0.00 C ATOM 262 CD LYS A 20 0.545 10.943 -14.415 1.00 0.00 C ATOM 263 CE LYS A 20 -0.449 10.739 -15.547 1.00 0.00 C ATOM 264 NZ LYS A 20 0.204 10.224 -16.780 1.00 0.00 N ATOM 0 H LYS A 20 4.309 9.630 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 20 2.270 7.761 -12.370 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.691 10.210 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.947 10.612 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.773 9.258 -14.915 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.505 8.902 -13.759 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.026 11.339 -13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.285 11.687 -14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.222 10.040 -15.228 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.945 11.684 -15.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.459 10.291 -17.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.052 10.790 -16.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.477 9.230 -16.639 1.00 0.00 H new ATOM 278 N ALA A 21 5.210 8.019 -13.330 1.00 0.00 N ATOM 279 CA ALA A 21 6.219 7.686 -14.325 1.00 0.00 C ATOM 280 C ALA A 21 7.133 6.577 -13.825 1.00 0.00 C ATOM 281 O ALA A 21 7.524 6.565 -12.653 1.00 0.00 O ATOM 282 CB ALA A 21 7.032 8.925 -14.678 1.00 0.00 C ATOM 0 H ALA A 21 5.573 8.133 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 21 5.713 7.326 -15.221 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.784 8.666 -15.423 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.370 9.692 -15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.524 9.305 -13.782 1.00 0.00 H new ATOM 288 N GLU A 22 7.475 5.652 -14.717 1.00 0.00 N ATOM 289 CA GLU A 22 8.352 4.540 -14.374 1.00 0.00 C ATOM 290 C GLU A 22 9.736 5.063 -14.007 1.00 0.00 C ATOM 291 O GLU A 22 10.435 5.644 -14.837 1.00 0.00 O ATOM 292 CB GLU A 22 8.452 3.556 -15.543 1.00 0.00 C ATOM 293 CG GLU A 22 9.239 2.298 -15.213 1.00 0.00 C ATOM 294 CD GLU A 22 9.415 1.389 -16.409 1.00 0.00 C ATOM 295 OE1 GLU A 22 10.414 1.548 -17.139 1.00 0.00 O ATOM 296 OE2 GLU A 22 8.559 0.505 -16.627 1.00 0.00 O ATOM 0 H GLU A 22 7.156 5.652 -15.686 1.00 0.00 H new ATOM 0 HA GLU A 22 7.932 4.015 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.447 3.274 -15.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.922 4.057 -16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.219 2.578 -14.827 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.728 1.753 -14.419 1.00 0.00 H new ATOM 303 N GLY A 23 10.117 4.859 -12.758 1.00 0.00 N ATOM 304 CA GLY A 23 11.373 5.377 -12.263 1.00 0.00 C ATOM 305 C GLY A 23 11.156 6.500 -11.273 1.00 0.00 C ATOM 306 O GLY A 23 11.997 6.759 -10.413 1.00 0.00 O ATOM 0 H GLY A 23 9.572 4.338 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.937 4.575 -11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.974 5.737 -13.098 1.00 0.00 H new ATOM 310 N SER A 24 10.005 7.149 -11.381 1.00 0.00 N ATOM 311 CA SER A 24 9.666 8.256 -10.502 1.00 0.00 C ATOM 312 C SER A 24 8.806 7.769 -9.338 1.00 0.00 C ATOM 313 O SER A 24 8.475 8.537 -8.435 1.00 0.00 O ATOM 314 CB SER A 24 8.932 9.348 -11.289 1.00 0.00 C ATOM 315 OG SER A 24 8.654 10.479 -10.476 1.00 0.00 O ATOM 0 H SER A 24 9.289 6.926 -12.072 1.00 0.00 H new ATOM 0 HA SER A 24 10.587 8.675 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.538 9.652 -12.142 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.000 8.947 -11.687 1.00 0.00 H new ATOM 0 HG SER A 24 8.492 10.188 -9.555 1.00 0.00 H new ATOM 321 N PHE A 25 8.448 6.493 -9.365 1.00 0.00 N ATOM 322 CA PHE A 25 7.627 5.915 -8.310 1.00 0.00 C ATOM 323 C PHE A 25 8.465 5.565 -7.094 1.00 0.00 C ATOM 324 O PHE A 25 9.639 5.206 -7.213 1.00 0.00 O ATOM 325 CB PHE A 25 6.899 4.654 -8.793 1.00 0.00 C ATOM 326 CG PHE A 25 7.813 3.555 -9.258 1.00 0.00 C ATOM 327 CD1 PHE A 25 8.269 3.523 -10.563 1.00 0.00 C ATOM 328 CD2 PHE A 25 8.216 2.556 -8.386 1.00 0.00 C ATOM 329 CE1 PHE A 25 9.112 2.517 -10.992 1.00 0.00 C ATOM 330 CE2 PHE A 25 9.057 1.548 -8.810 1.00 0.00 C ATOM 331 CZ PHE A 25 9.506 1.529 -10.115 1.00 0.00 C ATOM 0 H PHE A 25 8.712 5.840 -10.103 1.00 0.00 H new ATOM 0 HA PHE A 25 6.889 6.669 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.276 4.275 -7.983 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.230 4.925 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.962 4.294 -11.255 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.868 2.567 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.462 2.504 -12.014 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.364 0.775 -8.121 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.165 0.741 -10.449 1.00 0.00 H new ATOM 341 N ASP A 26 7.861 5.695 -5.931 1.00 0.00 N ATOM 342 CA ASP A 26 8.443 5.184 -4.706 1.00 0.00 C ATOM 343 C ASP A 26 7.352 4.520 -3.886 1.00 0.00 C ATOM 344 O ASP A 26 6.526 5.192 -3.268 1.00 0.00 O ATOM 345 CB ASP A 26 9.125 6.286 -3.901 1.00 0.00 C ATOM 346 CG ASP A 26 9.901 5.729 -2.724 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.976 5.132 -2.943 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.446 5.880 -1.573 1.00 0.00 O ATOM 0 H ASP A 26 6.959 6.155 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 26 9.213 4.455 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.800 6.844 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.375 6.990 -3.541 1.00 0.00 H new ATOM 353 N HIS A 27 7.336 3.195 -3.932 1.00 0.00 N ATOM 354 CA HIS A 27 6.304 2.393 -3.275 1.00 0.00 C ATOM 355 C HIS A 27 6.163 2.753 -1.802 1.00 0.00 C ATOM 356 O HIS A 27 5.060 2.785 -1.255 1.00 0.00 O ATOM 357 CB HIS A 27 6.612 0.890 -3.462 1.00 0.00 C ATOM 358 CG HIS A 27 7.508 0.274 -2.422 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.876 0.209 -2.556 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.223 -0.319 -1.238 1.00 0.00 C ATOM 361 CE1 HIS A 27 9.392 -0.395 -1.504 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.412 -0.725 -0.685 1.00 0.00 N ATOM 0 H HIS A 27 8.037 2.642 -4.425 1.00 0.00 H new ATOM 0 HA HIS A 27 5.345 2.615 -3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.669 0.343 -3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.072 0.751 -4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.241 -0.449 -0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.442 -0.588 -1.340 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.520 -1.202 0.210 1.00 0.00 H new ATOM 371 N LYS A 28 7.283 3.047 -1.183 1.00 0.00 N ATOM 372 CA LYS A 28 7.313 3.387 0.218 1.00 0.00 C ATOM 373 C LYS A 28 6.611 4.721 0.442 1.00 0.00 C ATOM 374 O LYS A 28 5.728 4.834 1.293 1.00 0.00 O ATOM 375 CB LYS A 28 8.768 3.447 0.651 1.00 0.00 C ATOM 376 CG LYS A 28 9.001 3.375 2.159 1.00 0.00 C ATOM 377 CD LYS A 28 8.585 4.646 2.884 1.00 0.00 C ATOM 378 CE LYS A 28 9.541 5.799 2.613 1.00 0.00 C ATOM 379 NZ LYS A 28 10.913 5.516 3.115 1.00 0.00 N ATOM 0 H LYS A 28 8.197 3.057 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 28 6.788 2.639 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.306 2.626 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.204 4.373 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.445 2.531 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.057 3.183 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.580 4.928 2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.544 4.454 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.580 5.993 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.161 6.704 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.439 6.408 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.854 5.049 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.406 4.893 2.445 1.00 0.00 H new ATOM 393 N ALA A 29 7.004 5.724 -0.342 1.00 0.00 N ATOM 394 CA ALA A 29 6.390 7.044 -0.280 1.00 0.00 C ATOM 395 C ALA A 29 4.885 6.957 -0.484 1.00 0.00 C ATOM 396 O ALA A 29 4.132 7.713 0.115 1.00 0.00 O ATOM 397 CB ALA A 29 7.005 7.975 -1.311 1.00 0.00 C ATOM 0 H ALA A 29 7.751 5.643 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 29 6.579 7.451 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.531 8.954 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.073 8.076 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.853 7.564 -2.309 1.00 0.00 H new ATOM 403 N PHE A 30 4.457 6.023 -1.323 1.00 0.00 N ATOM 404 CA PHE A 30 3.038 5.804 -1.573 1.00 0.00 C ATOM 405 C PHE A 30 2.292 5.511 -0.270 1.00 0.00 C ATOM 406 O PHE A 30 1.381 6.249 0.109 1.00 0.00 O ATOM 407 CB PHE A 30 2.850 4.650 -2.569 1.00 0.00 C ATOM 408 CG PHE A 30 1.411 4.319 -2.870 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.704 5.037 -3.819 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.770 3.286 -2.203 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.616 4.733 -4.097 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.549 2.978 -2.477 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.243 3.702 -3.425 1.00 0.00 C ATOM 0 H PHE A 30 5.076 5.402 -1.844 1.00 0.00 H new ATOM 0 HA PHE A 30 2.620 6.714 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.355 4.904 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.340 3.760 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.189 5.844 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.308 2.715 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.156 5.302 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.036 2.171 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.274 3.463 -3.641 1.00 0.00 H new ATOM 423 N PHE A 31 2.701 4.454 0.431 1.00 0.00 N ATOM 424 CA PHE A 31 1.978 4.008 1.627 1.00 0.00 C ATOM 425 C PHE A 31 2.091 5.005 2.777 1.00 0.00 C ATOM 426 O PHE A 31 1.135 5.196 3.532 1.00 0.00 O ATOM 427 CB PHE A 31 2.458 2.628 2.081 1.00 0.00 C ATOM 428 CG PHE A 31 2.280 1.578 1.029 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.013 1.156 0.667 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.373 1.024 0.390 1.00 0.00 C ATOM 431 CE1 PHE A 31 0.839 0.200 -0.310 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.208 0.071 -0.593 1.00 0.00 C ATOM 433 CZ PHE A 31 1.939 -0.343 -0.943 1.00 0.00 C ATOM 0 H PHE A 31 3.521 3.894 0.197 1.00 0.00 H new ATOM 0 HA PHE A 31 0.927 3.942 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.511 2.687 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.911 2.335 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.149 1.581 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.368 1.341 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.155 -0.124 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.070 -0.351 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.807 -1.091 -1.711 1.00 0.00 H new ATOM 443 N THR A 32 3.242 5.646 2.911 1.00 0.00 N ATOM 444 CA THR A 32 3.445 6.600 3.992 1.00 0.00 C ATOM 445 C THR A 32 2.712 7.914 3.713 1.00 0.00 C ATOM 446 O THR A 32 2.372 8.655 4.637 1.00 0.00 O ATOM 447 CB THR A 32 4.949 6.864 4.249 1.00 0.00 C ATOM 448 OG1 THR A 32 5.118 7.772 5.345 1.00 0.00 O ATOM 449 CG2 THR A 32 5.633 7.428 3.015 1.00 0.00 C ATOM 0 H THR A 32 4.043 5.525 2.291 1.00 0.00 H new ATOM 0 HA THR A 32 3.025 6.155 4.894 1.00 0.00 H new ATOM 0 HB THR A 32 5.411 5.908 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.074 7.928 5.496 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.687 7.601 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.543 6.718 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.160 8.369 2.735 1.00 0.00 H new ATOM 457 N LYS A 33 2.444 8.184 2.442 1.00 0.00 N ATOM 458 CA LYS A 33 1.782 9.420 2.042 1.00 0.00 C ATOM 459 C LYS A 33 0.273 9.292 2.181 1.00 0.00 C ATOM 460 O LYS A 33 -0.385 10.174 2.737 1.00 0.00 O ATOM 461 CB LYS A 33 2.160 9.766 0.606 1.00 0.00 C ATOM 462 CG LYS A 33 1.710 11.143 0.150 1.00 0.00 C ATOM 463 CD LYS A 33 2.275 11.480 -1.222 1.00 0.00 C ATOM 464 CE LYS A 33 3.797 11.548 -1.197 1.00 0.00 C ATOM 465 NZ LYS A 33 4.365 11.903 -2.523 1.00 0.00 N ATOM 0 H LYS A 33 2.676 7.562 1.668 1.00 0.00 H new ATOM 0 HA LYS A 33 2.113 10.224 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.243 9.699 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.729 9.018 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.621 11.180 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.033 11.892 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.955 10.728 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.872 12.436 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.114 12.285 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.197 10.585 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.402 11.938 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.085 11.187 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.005 12.834 -2.817 1.00 0.00 H new ATOM 479 N VAL A 34 -0.275 8.185 1.691 1.00 0.00 N ATOM 480 CA VAL A 34 -1.693 7.929 1.788 1.00 0.00 C ATOM 481 C VAL A 34 -2.087 7.574 3.221 1.00 0.00 C ATOM 482 O VAL A 34 -3.269 7.501 3.553 1.00 0.00 O ATOM 483 CB VAL A 34 -2.106 6.793 0.837 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.721 7.127 -0.593 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.494 5.469 1.264 1.00 0.00 C ATOM 0 H VAL A 34 0.253 7.450 1.220 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.216 8.840 1.498 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.190 6.690 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.021 6.311 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.223 8.044 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.642 7.265 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.804 4.685 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.407 5.551 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.831 5.220 2.270 1.00 0.00 H new ATOM 495 N GLY A 35 -1.080 7.352 4.060 1.00 0.00 N ATOM 496 CA GLY A 35 -1.323 7.070 5.460 1.00 0.00 C ATOM 497 C GLY A 35 -1.740 5.636 5.698 1.00 0.00 C ATOM 498 O GLY A 35 -2.397 5.331 6.691 1.00 0.00 O ATOM 0 H GLY A 35 -0.096 7.363 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.420 7.282 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.100 7.738 5.832 1.00 0.00 H new ATOM 502 N LEU A 36 -1.354 4.745 4.793 1.00 0.00 N ATOM 503 CA LEU A 36 -1.732 3.348 4.916 1.00 0.00 C ATOM 504 C LEU A 36 -0.803 2.628 5.887 1.00 0.00 C ATOM 505 O LEU A 36 -1.133 1.568 6.413 1.00 0.00 O ATOM 506 CB LEU A 36 -1.706 2.645 3.559 1.00 0.00 C ATOM 507 CG LEU A 36 -2.522 1.355 3.503 1.00 0.00 C ATOM 508 CD1 LEU A 36 -4.006 1.671 3.446 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.109 0.504 2.319 1.00 0.00 C ATOM 0 H LEU A 36 -0.785 4.964 3.975 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.751 3.314 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.081 3.332 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.672 2.418 3.300 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.324 0.785 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.575 0.742 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.292 2.234 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.218 2.264 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.705 -0.409 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.271 1.061 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.053 0.247 2.406 1.00 0.00 H new ATOM 521 N ALA A 37 0.359 3.223 6.130 1.00 0.00 N ATOM 522 CA ALA A 37 1.361 2.632 7.013 1.00 0.00 C ATOM 523 C ALA A 37 0.887 2.610 8.464 1.00 0.00 C ATOM 524 O ALA A 37 1.446 1.898 9.298 1.00 0.00 O ATOM 525 CB ALA A 37 2.674 3.392 6.899 1.00 0.00 C ATOM 0 H ALA A 37 0.633 4.119 5.726 1.00 0.00 H new ATOM 0 HA ALA A 37 1.516 1.600 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.413 2.942 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.033 3.346 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.518 4.433 7.183 1.00 0.00 H new ATOM 531 N ALA A 38 -0.152 3.380 8.757 1.00 0.00 N ATOM 532 CA ALA A 38 -0.673 3.478 10.112 1.00 0.00 C ATOM 533 C ALA A 38 -2.096 2.932 10.190 1.00 0.00 C ATOM 534 O ALA A 38 -2.944 3.475 10.899 1.00 0.00 O ATOM 535 CB ALA A 38 -0.630 4.925 10.585 1.00 0.00 C ATOM 0 H ALA A 38 -0.651 3.947 8.072 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.045 2.874 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.022 4.988 11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.400 5.282 10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.237 5.542 9.923 1.00 0.00 H new ATOM 541 N LYS A 39 -2.352 1.853 9.466 1.00 0.00 N ATOM 542 CA LYS A 39 -3.686 1.264 9.425 1.00 0.00 C ATOM 543 C LYS A 39 -3.809 0.064 10.354 1.00 0.00 C ATOM 544 O LYS A 39 -2.812 -0.473 10.843 1.00 0.00 O ATOM 545 CB LYS A 39 -4.042 0.842 8.003 1.00 0.00 C ATOM 546 CG LYS A 39 -4.201 2.007 7.046 1.00 0.00 C ATOM 547 CD LYS A 39 -5.160 3.052 7.590 1.00 0.00 C ATOM 548 CE LYS A 39 -5.633 3.998 6.500 1.00 0.00 C ATOM 549 NZ LYS A 39 -6.448 3.288 5.483 1.00 0.00 N ATOM 0 H LYS A 39 -1.657 1.367 8.899 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.382 2.030 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.266 0.176 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.970 0.271 8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.228 2.465 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.566 1.642 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.020 2.557 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.669 3.622 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.221 4.802 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.771 4.461 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.041 3.448 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.452 2.269 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.423 3.649 5.506 1.00 0.00 H new ATOM 563 N SER A 40 -5.050 -0.333 10.592 1.00 0.00 N ATOM 564 CA SER A 40 -5.360 -1.483 11.422 1.00 0.00 C ATOM 565 C SER A 40 -5.676 -2.698 10.541 1.00 0.00 C ATOM 566 O SER A 40 -5.995 -2.531 9.363 1.00 0.00 O ATOM 567 CB SER A 40 -6.553 -1.144 12.319 1.00 0.00 C ATOM 568 OG SER A 40 -6.333 0.075 13.010 1.00 0.00 O ATOM 0 H SER A 40 -5.872 0.136 10.213 1.00 0.00 H new ATOM 0 HA SER A 40 -4.501 -1.730 12.046 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.457 -1.067 11.715 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.716 -1.949 13.035 1.00 0.00 H new ATOM 0 HG SER A 40 -7.108 0.274 13.576 1.00 0.00 H new ATOM 574 N PRO A 41 -5.574 -3.927 11.091 1.00 0.00 N ATOM 575 CA PRO A 41 -5.807 -5.174 10.341 1.00 0.00 C ATOM 576 C PRO A 41 -7.037 -5.134 9.425 1.00 0.00 C ATOM 577 O PRO A 41 -6.945 -5.480 8.249 1.00 0.00 O ATOM 578 CB PRO A 41 -6.000 -6.204 11.450 1.00 0.00 C ATOM 579 CG PRO A 41 -5.146 -5.709 12.563 1.00 0.00 C ATOM 580 CD PRO A 41 -5.193 -4.205 12.493 1.00 0.00 C ATOM 0 HA PRO A 41 -4.984 -5.385 9.658 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.045 -6.273 11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.695 -7.199 11.126 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.515 -6.065 13.525 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.123 -6.072 12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.920 -3.795 13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.228 -3.763 12.740 1.00 0.00 H new ATOM 588 N ALA A 42 -8.176 -4.699 9.960 1.00 0.00 N ATOM 589 CA ALA A 42 -9.428 -4.672 9.198 1.00 0.00 C ATOM 590 C ALA A 42 -9.339 -3.731 7.997 1.00 0.00 C ATOM 591 O ALA A 42 -9.899 -4.006 6.930 1.00 0.00 O ATOM 592 CB ALA A 42 -10.584 -4.266 10.098 1.00 0.00 C ATOM 0 H ALA A 42 -8.260 -4.360 10.918 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.605 -5.678 8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.507 -4.250 9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.679 -4.983 10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.395 -3.274 10.507 1.00 0.00 H new ATOM 598 N ASP A 43 -8.619 -2.634 8.170 1.00 0.00 N ATOM 599 CA ASP A 43 -8.466 -1.636 7.119 1.00 0.00 C ATOM 600 C ASP A 43 -7.589 -2.197 6.014 1.00 0.00 C ATOM 601 O ASP A 43 -7.912 -2.104 4.837 1.00 0.00 O ATOM 602 CB ASP A 43 -7.848 -0.361 7.701 1.00 0.00 C ATOM 603 CG ASP A 43 -7.810 0.803 6.729 1.00 0.00 C ATOM 604 OD1 ASP A 43 -7.113 0.717 5.701 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.462 1.834 7.012 1.00 0.00 O ATOM 0 H ASP A 43 -8.127 -2.410 9.035 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.443 -1.389 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.414 -0.065 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.832 -0.579 8.031 1.00 0.00 H new ATOM 610 N ILE A 44 -6.492 -2.818 6.403 1.00 0.00 N ATOM 611 CA ILE A 44 -5.601 -3.447 5.446 1.00 0.00 C ATOM 612 C ILE A 44 -6.237 -4.717 4.859 1.00 0.00 C ATOM 613 O ILE A 44 -5.875 -5.164 3.769 1.00 0.00 O ATOM 614 CB ILE A 44 -4.202 -3.700 6.070 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.344 -2.441 5.879 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.513 -4.924 5.475 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.944 -2.537 6.440 1.00 0.00 C ATOM 0 H ILE A 44 -6.196 -2.901 7.376 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.445 -2.764 4.611 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.329 -3.909 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.279 -2.221 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.851 -1.598 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.539 -5.057 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.125 -5.808 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.382 -4.782 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.414 -1.602 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.994 -2.723 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.413 -3.355 5.954 1.00 0.00 H new ATOM 629 N LYS A 45 -7.214 -5.274 5.564 1.00 0.00 N ATOM 630 CA LYS A 45 -7.976 -6.407 5.048 1.00 0.00 C ATOM 631 C LYS A 45 -8.744 -6.004 3.786 1.00 0.00 C ATOM 632 O LYS A 45 -8.734 -6.719 2.781 1.00 0.00 O ATOM 633 CB LYS A 45 -8.948 -6.933 6.106 1.00 0.00 C ATOM 634 CG LYS A 45 -9.561 -8.273 5.742 1.00 0.00 C ATOM 635 CD LYS A 45 -8.507 -9.370 5.708 1.00 0.00 C ATOM 636 CE LYS A 45 -9.085 -10.683 5.218 1.00 0.00 C ATOM 637 NZ LYS A 45 -8.075 -11.773 5.244 1.00 0.00 N ATOM 0 H LYS A 45 -7.498 -4.961 6.493 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.274 -7.202 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.424 -7.027 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.745 -6.204 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.334 -8.531 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.046 -8.201 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.687 -9.067 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.089 -9.505 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.936 -10.961 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.460 -10.559 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.507 -12.655 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.274 -11.519 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.736 -11.909 6.218 1.00 0.00 H new ATOM 651 N LYS A 46 -9.398 -4.850 3.816 1.00 0.00 N ATOM 652 CA LYS A 46 -10.067 -4.368 2.615 1.00 0.00 C ATOM 653 C LYS A 46 -9.020 -3.944 1.588 1.00 0.00 C ATOM 654 O LYS A 46 -9.279 -3.918 0.387 1.00 0.00 O ATOM 655 CB LYS A 46 -11.073 -3.242 2.923 1.00 0.00 C ATOM 656 CG LYS A 46 -10.488 -1.974 3.539 1.00 0.00 C ATOM 657 CD LYS A 46 -9.773 -1.100 2.512 1.00 0.00 C ATOM 658 CE LYS A 46 -10.713 -0.627 1.409 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.954 -0.001 1.945 1.00 0.00 N ATOM 0 H LYS A 46 -9.479 -4.245 4.633 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.658 -5.181 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.581 -2.972 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.832 -3.635 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.287 -1.399 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.788 -2.247 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.338 -0.235 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.949 -1.660 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.192 0.091 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.981 -1.474 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.624 0.164 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.388 -0.635 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.718 0.906 2.397 1.00 0.00 H new ATOM 673 N VAL A 47 -7.825 -3.631 2.077 1.00 0.00 N ATOM 674 CA VAL A 47 -6.693 -3.361 1.208 1.00 0.00 C ATOM 675 C VAL A 47 -6.289 -4.636 0.466 1.00 0.00 C ATOM 676 O VAL A 47 -5.810 -4.573 -0.660 1.00 0.00 O ATOM 677 CB VAL A 47 -5.503 -2.771 1.991 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.279 -2.622 1.101 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.889 -1.423 2.582 1.00 0.00 C ATOM 0 H VAL A 47 -7.618 -3.559 3.073 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.995 -2.611 0.477 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.251 -3.459 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.456 -2.204 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.990 -3.599 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.512 -1.956 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.044 -1.012 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.165 -0.739 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.735 -1.551 3.257 1.00 0.00 H new ATOM 689 N PHE A 48 -6.507 -5.793 1.094 1.00 0.00 N ATOM 690 CA PHE A 48 -6.387 -7.077 0.399 1.00 0.00 C ATOM 691 C PHE A 48 -7.303 -7.076 -0.811 1.00 0.00 C ATOM 692 O PHE A 48 -6.892 -7.423 -1.921 1.00 0.00 O ATOM 693 CB PHE A 48 -6.731 -8.247 1.349 1.00 0.00 C ATOM 694 CG PHE A 48 -7.676 -9.291 0.784 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.296 -10.117 -0.268 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.948 -9.443 1.314 1.00 0.00 C ATOM 697 CE1 PHE A 48 -8.164 -11.064 -0.775 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.819 -10.389 0.809 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.426 -11.200 -0.236 1.00 0.00 C ATOM 0 H PHE A 48 -6.766 -5.868 2.078 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.357 -7.213 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.804 -8.741 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.172 -7.837 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.309 -10.017 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.262 -8.813 2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.855 -11.698 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.807 -10.494 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.106 -11.940 -0.631 1.00 0.00 H new ATOM 709 N GLU A 49 -8.540 -6.651 -0.588 1.00 0.00 N ATOM 710 CA GLU A 49 -9.516 -6.535 -1.664 1.00 0.00 C ATOM 711 C GLU A 49 -9.085 -5.475 -2.678 1.00 0.00 C ATOM 712 O GLU A 49 -9.626 -5.400 -3.777 1.00 0.00 O ATOM 713 CB GLU A 49 -10.889 -6.177 -1.096 1.00 0.00 C ATOM 714 CG GLU A 49 -11.394 -7.154 -0.048 1.00 0.00 C ATOM 715 CD GLU A 49 -12.710 -6.714 0.556 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.694 -5.928 1.525 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.773 -7.138 0.055 1.00 0.00 O ATOM 0 H GLU A 49 -8.892 -6.380 0.330 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.576 -7.498 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.841 -5.180 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.609 -6.131 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.515 -8.139 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.649 -7.255 0.742 1.00 0.00 H new ATOM 724 N ILE A 50 -8.129 -4.639 -2.284 1.00 0.00 N ATOM 725 CA ILE A 50 -7.605 -3.593 -3.153 1.00 0.00 C ATOM 726 C ILE A 50 -6.639 -4.142 -4.220 1.00 0.00 C ATOM 727 O ILE A 50 -6.849 -3.897 -5.410 1.00 0.00 O ATOM 728 CB ILE A 50 -6.938 -2.476 -2.330 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.988 -1.775 -1.468 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.224 -1.473 -3.220 1.00 0.00 C ATOM 731 CD1 ILE A 50 -9.166 -1.232 -2.243 1.00 0.00 C ATOM 0 H ILE A 50 -7.699 -4.668 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.457 -3.169 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.186 -2.931 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.353 -2.477 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.512 -0.955 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.766 -0.700 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.452 -1.983 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.942 -1.015 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.863 -0.751 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.816 -0.503 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.671 -2.049 -2.758 1.00 0.00 H new ATOM 743 N ILE A 51 -5.596 -4.888 -3.818 1.00 0.00 N ATOM 744 CA ILE A 51 -4.677 -5.481 -4.807 1.00 0.00 C ATOM 745 C ILE A 51 -5.388 -6.588 -5.557 1.00 0.00 C ATOM 746 O ILE A 51 -5.116 -6.838 -6.733 1.00 0.00 O ATOM 747 CB ILE A 51 -3.343 -6.047 -4.224 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.569 -6.792 -2.891 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.314 -4.937 -4.068 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.442 -5.922 -1.658 1.00 0.00 C ATOM 0 H ILE A 51 -5.371 -5.091 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.392 -4.657 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.955 -6.777 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.562 -7.240 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.851 -7.609 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.392 -5.351 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.112 -4.489 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.700 -4.175 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.616 -6.526 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.440 -5.494 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.178 -5.119 -1.702 1.00 0.00 H new ATOM 762 N ASP A 52 -6.310 -7.243 -4.871 1.00 0.00 N ATOM 763 CA ASP A 52 -7.145 -8.246 -5.500 1.00 0.00 C ATOM 764 C ASP A 52 -8.310 -7.549 -6.181 1.00 0.00 C ATOM 765 O ASP A 52 -9.426 -7.531 -5.662 1.00 0.00 O ATOM 766 CB ASP A 52 -7.665 -9.253 -4.471 1.00 0.00 C ATOM 767 CG ASP A 52 -7.842 -10.655 -5.040 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.818 -10.834 -6.285 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.028 -11.593 -4.249 1.00 0.00 O ATOM 0 H ASP A 52 -6.497 -7.096 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.554 -8.796 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.973 -9.294 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.621 -8.903 -4.080 1.00 0.00 H new ATOM 774 N GLN A 53 -8.032 -6.962 -7.338 1.00 0.00 N ATOM 775 CA GLN A 53 -9.032 -6.223 -8.101 1.00 0.00 C ATOM 776 C GLN A 53 -10.220 -7.130 -8.408 1.00 0.00 C ATOM 777 O GLN A 53 -11.370 -6.692 -8.463 1.00 0.00 O ATOM 778 CB GLN A 53 -8.385 -5.694 -9.391 1.00 0.00 C ATOM 779 CG GLN A 53 -9.269 -4.782 -10.232 1.00 0.00 C ATOM 780 CD GLN A 53 -10.274 -5.538 -11.083 1.00 0.00 C ATOM 781 OE1 GLN A 53 -10.023 -6.667 -11.510 1.00 0.00 O ATOM 782 NE2 GLN A 53 -11.416 -4.923 -11.334 1.00 0.00 N ATOM 0 H GLN A 53 -7.110 -6.984 -7.774 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.399 -5.376 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.477 -5.151 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.082 -6.544 -10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.803 -4.097 -9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.639 -4.174 -10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.585 -3.988 -10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.129 -5.383 -11.900 1.00 0.00 H new ATOM 791 N ASP A 54 -9.918 -8.399 -8.589 1.00 0.00 N ATOM 792 CA ASP A 54 -10.933 -9.411 -8.877 1.00 0.00 C ATOM 793 C ASP A 54 -11.310 -10.196 -7.612 1.00 0.00 C ATOM 794 O ASP A 54 -12.204 -11.041 -7.648 1.00 0.00 O ATOM 795 CB ASP A 54 -10.421 -10.363 -9.967 1.00 0.00 C ATOM 796 CG ASP A 54 -9.892 -11.676 -9.420 1.00 0.00 C ATOM 797 OD1 ASP A 54 -8.941 -11.663 -8.602 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.432 -12.732 -9.800 1.00 0.00 O ATOM 0 H ASP A 54 -8.967 -8.765 -8.542 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.831 -8.907 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.230 -10.569 -10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.630 -9.867 -10.530 1.00 0.00 H new ATOM 803 N LYS A 55 -10.640 -9.874 -6.503 1.00 0.00 N ATOM 804 CA LYS A 55 -10.914 -10.448 -5.171 1.00 0.00 C ATOM 805 C LYS A 55 -11.247 -11.944 -5.189 1.00 0.00 C ATOM 806 O LYS A 55 -12.369 -12.353 -4.873 1.00 0.00 O ATOM 807 CB LYS A 55 -11.961 -9.634 -4.396 1.00 0.00 C ATOM 808 CG LYS A 55 -13.213 -9.264 -5.172 1.00 0.00 C ATOM 809 CD LYS A 55 -14.079 -8.321 -4.359 1.00 0.00 C ATOM 810 CE LYS A 55 -15.304 -7.856 -5.135 1.00 0.00 C ATOM 811 NZ LYS A 55 -14.949 -6.965 -6.272 1.00 0.00 N ATOM 0 H LYS A 55 -9.878 -9.196 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.971 -10.372 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.257 -10.203 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.491 -8.717 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.938 -8.793 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.776 -10.165 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.398 -8.820 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.489 -7.454 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.843 -8.725 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.980 -7.329 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.816 -6.567 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.342 -6.193 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.440 -7.512 -6.996 1.00 0.00 H new ATOM 825 N SER A 56 -10.254 -12.745 -5.565 1.00 0.00 N ATOM 826 CA SER A 56 -10.386 -14.198 -5.592 1.00 0.00 C ATOM 827 C SER A 56 -9.341 -14.863 -4.692 1.00 0.00 C ATOM 828 O SER A 56 -8.944 -16.005 -4.929 1.00 0.00 O ATOM 829 CB SER A 56 -10.236 -14.709 -7.022 1.00 0.00 C ATOM 830 OG SER A 56 -11.255 -14.188 -7.855 1.00 0.00 O ATOM 0 H SER A 56 -9.338 -12.406 -5.859 1.00 0.00 H new ATOM 0 HA SER A 56 -11.376 -14.455 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.260 -14.424 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.277 -15.798 -7.029 1.00 0.00 H new ATOM 0 HG SER A 56 -10.880 -13.972 -8.734 1.00 0.00 H new ATOM 836 N ASP A 57 -8.884 -14.116 -3.683 1.00 0.00 N ATOM 837 CA ASP A 57 -7.925 -14.594 -2.670 1.00 0.00 C ATOM 838 C ASP A 57 -6.498 -14.611 -3.208 1.00 0.00 C ATOM 839 O ASP A 57 -5.555 -14.936 -2.485 1.00 0.00 O ATOM 840 CB ASP A 57 -8.284 -15.985 -2.134 1.00 0.00 C ATOM 841 CG ASP A 57 -9.585 -16.010 -1.362 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.608 -15.518 -0.213 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.586 -16.541 -1.890 1.00 0.00 O ATOM 0 H ASP A 57 -9.171 -13.148 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.986 -13.884 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.351 -16.683 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.479 -16.337 -1.488 1.00 0.00 H new ATOM 848 N PHE A 58 -6.344 -14.251 -4.467 1.00 0.00 N ATOM 849 CA PHE A 58 -5.033 -14.128 -5.082 1.00 0.00 C ATOM 850 C PHE A 58 -5.017 -12.870 -5.920 1.00 0.00 C ATOM 851 O PHE A 58 -5.989 -12.569 -6.609 1.00 0.00 O ATOM 852 CB PHE A 58 -4.693 -15.338 -5.962 1.00 0.00 C ATOM 853 CG PHE A 58 -4.820 -16.664 -5.264 1.00 0.00 C ATOM 854 CD1 PHE A 58 -3.772 -17.170 -4.512 1.00 0.00 C ATOM 855 CD2 PHE A 58 -5.986 -17.406 -5.365 1.00 0.00 C ATOM 856 CE1 PHE A 58 -3.887 -18.390 -3.874 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.106 -18.626 -4.729 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.055 -19.119 -3.982 1.00 0.00 C ATOM 0 H PHE A 58 -7.120 -14.036 -5.093 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.283 -14.082 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.348 -15.335 -6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.673 -15.230 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.856 -16.605 -4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.811 -17.025 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.063 -18.774 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.021 -19.194 -4.816 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.146 -20.073 -3.483 1.00 0.00 H new ATOM 868 N VAL A 59 -3.943 -12.118 -5.843 1.00 0.00 N ATOM 869 CA VAL A 59 -3.857 -10.872 -6.570 1.00 0.00 C ATOM 870 C VAL A 59 -2.717 -10.951 -7.590 1.00 0.00 C ATOM 871 O VAL A 59 -1.553 -11.120 -7.234 1.00 0.00 O ATOM 872 CB VAL A 59 -3.720 -9.675 -5.584 1.00 0.00 C ATOM 873 CG1 VAL A 59 -4.106 -10.083 -4.170 1.00 0.00 C ATOM 874 CG2 VAL A 59 -2.352 -9.047 -5.595 1.00 0.00 C ATOM 0 H VAL A 59 -3.119 -12.346 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.776 -10.700 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.416 -8.914 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.001 -9.227 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.141 -10.426 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.454 -10.888 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.326 -8.220 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.608 -9.791 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.131 -8.675 -6.595 1.00 0.00 H new ATOM 884 N GLU A 60 -3.073 -10.918 -8.867 1.00 0.00 N ATOM 885 CA GLU A 60 -2.090 -11.066 -9.938 1.00 0.00 C ATOM 886 C GLU A 60 -1.563 -9.719 -10.430 1.00 0.00 C ATOM 887 O GLU A 60 -1.941 -8.666 -9.913 1.00 0.00 O ATOM 888 CB GLU A 60 -2.680 -11.842 -11.118 1.00 0.00 C ATOM 889 CG GLU A 60 -2.806 -13.341 -10.882 1.00 0.00 C ATOM 890 CD GLU A 60 -3.879 -13.703 -9.879 1.00 0.00 C ATOM 891 OE1 GLU A 60 -5.076 -13.590 -10.217 1.00 0.00 O ATOM 892 OE2 GLU A 60 -3.532 -14.132 -8.760 1.00 0.00 O ATOM 0 H GLU A 60 -4.032 -10.790 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.254 -11.624 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.666 -11.438 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.056 -11.675 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.024 -13.833 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.848 -13.728 -10.534 1.00 0.00 H new ATOM 899 N GLU A 61 -0.702 -9.757 -11.443 1.00 0.00 N ATOM 900 CA GLU A 61 -0.130 -8.542 -12.010 1.00 0.00 C ATOM 901 C GLU A 61 -1.184 -7.754 -12.775 1.00 0.00 C ATOM 902 O GLU A 61 -1.307 -6.543 -12.596 1.00 0.00 O ATOM 903 CB GLU A 61 1.043 -8.870 -12.933 1.00 0.00 C ATOM 904 CG GLU A 61 1.599 -7.650 -13.659 1.00 0.00 C ATOM 905 CD GLU A 61 2.826 -7.969 -14.484 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.669 -8.382 -15.653 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.951 -7.795 -13.976 1.00 0.00 O ATOM 0 H GLU A 61 -0.385 -10.618 -11.888 1.00 0.00 H new ATOM 0 HA GLU A 61 0.235 -7.931 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.839 -9.330 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.722 -9.607 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.827 -7.236 -14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.848 -6.880 -12.929 1.00 0.00 H new ATOM 914 N ASP A 62 -1.951 -8.442 -13.623 1.00 0.00 N ATOM 915 CA ASP A 62 -3.031 -7.797 -14.370 1.00 0.00 C ATOM 916 C ASP A 62 -4.019 -7.160 -13.409 1.00 0.00 C ATOM 917 O ASP A 62 -4.701 -6.190 -13.746 1.00 0.00 O ATOM 918 CB ASP A 62 -3.764 -8.789 -15.277 1.00 0.00 C ATOM 919 CG ASP A 62 -2.950 -9.190 -16.490 1.00 0.00 C ATOM 920 OD1 ASP A 62 -2.695 -8.325 -17.354 1.00 0.00 O ATOM 921 OD2 ASP A 62 -2.571 -10.374 -16.593 1.00 0.00 O ATOM 0 H ASP A 62 -1.845 -9.439 -13.809 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.583 -7.030 -15.002 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.015 -9.681 -14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.704 -8.346 -15.606 1.00 0.00 H new ATOM 926 N GLU A 63 -4.082 -7.713 -12.206 1.00 0.00 N ATOM 927 CA GLU A 63 -4.886 -7.140 -11.151 1.00 0.00 C ATOM 928 C GLU A 63 -4.254 -5.868 -10.631 1.00 0.00 C ATOM 929 O GLU A 63 -4.910 -4.839 -10.584 1.00 0.00 O ATOM 930 CB GLU A 63 -5.083 -8.128 -10.014 1.00 0.00 C ATOM 931 CG GLU A 63 -6.042 -9.238 -10.369 1.00 0.00 C ATOM 932 CD GLU A 63 -6.553 -9.957 -9.155 1.00 0.00 C ATOM 933 OE1 GLU A 63 -7.465 -9.447 -8.508 1.00 0.00 O ATOM 934 OE2 GLU A 63 -6.062 -11.048 -8.834 1.00 0.00 O ATOM 0 H GLU A 63 -3.581 -8.561 -11.942 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.864 -6.902 -11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.120 -8.559 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.455 -7.598 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.883 -8.825 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.544 -9.950 -11.027 1.00 0.00 H new ATOM 941 N LEU A 64 -2.973 -5.932 -10.275 1.00 0.00 N ATOM 942 CA LEU A 64 -2.271 -4.766 -9.759 1.00 0.00 C ATOM 943 C LEU A 64 -2.182 -3.664 -10.797 1.00 0.00 C ATOM 944 O LEU A 64 -1.923 -2.513 -10.470 1.00 0.00 O ATOM 945 CB LEU A 64 -0.883 -5.110 -9.251 1.00 0.00 C ATOM 946 CG LEU A 64 -0.763 -5.035 -7.737 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.900 -6.411 -7.122 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.533 -4.364 -7.337 1.00 0.00 C ATOM 0 H LEU A 64 -2.404 -6.777 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.859 -4.405 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.622 -6.116 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.160 -4.429 -9.700 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.579 -4.423 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.811 -6.336 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.874 -6.829 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.114 -7.061 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.600 -4.320 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.375 -4.935 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.560 -3.353 -7.743 1.00 0.00 H new ATOM 960 N LYS A 65 -2.370 -4.023 -12.050 1.00 0.00 N ATOM 961 CA LYS A 65 -2.451 -3.032 -13.098 1.00 0.00 C ATOM 962 C LYS A 65 -3.606 -2.080 -12.845 1.00 0.00 C ATOM 963 O LYS A 65 -3.437 -0.864 -12.831 1.00 0.00 O ATOM 964 CB LYS A 65 -2.622 -3.697 -14.466 1.00 0.00 C ATOM 965 CG LYS A 65 -1.331 -4.240 -15.053 1.00 0.00 C ATOM 966 CD LYS A 65 -0.220 -3.205 -14.987 1.00 0.00 C ATOM 967 CE LYS A 65 0.903 -3.515 -15.960 1.00 0.00 C ATOM 968 NZ LYS A 65 0.413 -3.616 -17.361 1.00 0.00 N ATOM 0 H LYS A 65 -2.469 -4.988 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.518 -2.468 -13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.339 -4.513 -14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.049 -2.973 -15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.030 -5.136 -14.510 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.495 -4.536 -16.089 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.629 -2.219 -15.208 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.179 -3.165 -13.973 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.663 -2.736 -15.897 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.382 -4.452 -15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.187 -3.389 -18.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.078 -4.584 -17.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.370 -2.946 -17.504 1.00 0.00 H new ATOM 982 N LEU A 66 -4.785 -2.643 -12.680 1.00 0.00 N ATOM 983 CA LEU A 66 -5.989 -1.849 -12.525 1.00 0.00 C ATOM 984 C LEU A 66 -6.471 -1.802 -11.080 1.00 0.00 C ATOM 985 O LEU A 66 -7.527 -1.237 -10.786 1.00 0.00 O ATOM 986 CB LEU A 66 -7.050 -2.377 -13.476 1.00 0.00 C ATOM 987 CG LEU A 66 -6.536 -2.503 -14.911 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.629 -2.975 -15.845 1.00 0.00 C ATOM 989 CD2 LEU A 66 -5.949 -1.176 -15.382 1.00 0.00 C ATOM 0 H LEU A 66 -4.937 -3.651 -12.650 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.768 -0.813 -12.783 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.393 -3.352 -13.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.913 -1.711 -13.459 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.746 -3.254 -14.925 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.233 -3.055 -16.857 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.990 -3.950 -15.519 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.452 -2.260 -15.833 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.587 -1.281 -16.405 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.718 -0.405 -15.346 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.121 -0.893 -14.732 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.690 -2.383 -10.175 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.037 -2.377 -8.756 1.00 0.00 C ATOM 1003 C PHE A 67 -6.083 -0.931 -8.266 1.00 0.00 C ATOM 1004 O PHE A 67 -6.752 -0.607 -7.289 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.047 -3.218 -7.927 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.988 -2.445 -7.175 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.777 -2.135 -7.762 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.207 -2.052 -5.868 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.805 -1.445 -7.065 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.238 -1.363 -5.162 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.036 -1.058 -5.762 1.00 0.00 C ATOM 0 H PHE A 67 -4.817 -2.862 -10.396 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.018 -2.835 -8.626 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.616 -3.809 -7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.550 -3.921 -8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.587 -2.437 -8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.148 -2.286 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.864 -1.209 -7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.423 -1.064 -4.141 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.278 -0.518 -5.214 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.357 -0.065 -8.972 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.379 1.366 -8.702 1.00 0.00 C ATOM 1023 C LEU A 68 -6.783 1.912 -8.894 1.00 0.00 C ATOM 1024 O LEU A 68 -7.297 2.636 -8.047 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.420 2.131 -9.629 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.934 1.765 -9.550 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.460 1.701 -8.107 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.655 0.461 -10.280 1.00 0.00 C ATOM 0 H LEU A 68 -4.743 -0.336 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.057 1.508 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.751 1.981 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.518 3.195 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.369 2.553 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.402 1.439 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.605 2.672 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.033 0.946 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.593 0.224 -10.209 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.237 -0.341 -9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.934 0.564 -11.329 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.404 1.534 -10.006 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.762 1.969 -10.313 1.00 0.00 C ATOM 1042 C GLN A 69 -9.750 1.274 -9.389 1.00 0.00 C ATOM 1043 O GLN A 69 -10.925 1.636 -9.321 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.113 1.668 -11.769 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.163 2.303 -12.770 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.681 2.212 -14.190 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.373 3.112 -14.670 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.364 1.120 -14.866 1.00 0.00 N ATOM 0 H GLN A 69 -6.988 0.926 -10.711 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.820 3.047 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.114 0.588 -11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.125 2.019 -11.969 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.009 3.350 -12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.192 1.812 -12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.789 0.399 -14.430 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.695 0.999 -15.823 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.260 0.260 -8.696 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.050 -0.440 -7.693 1.00 0.00 C ATOM 1059 C ASN A 70 -9.991 0.332 -6.377 1.00 0.00 C ATOM 1060 O ASN A 70 -10.960 0.385 -5.622 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.508 -1.861 -7.509 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.318 -2.702 -6.541 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.539 -2.578 -6.449 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -9.637 -3.570 -5.817 1.00 0.00 N ATOM 0 H ASN A 70 -8.312 -0.100 -8.810 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.088 -0.505 -8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.484 -2.360 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.479 -1.805 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.122 -4.170 -5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.625 -3.641 -5.924 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.847 0.961 -6.141 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.608 1.716 -4.919 1.00 0.00 C ATOM 1073 C PHE A 71 -9.206 3.118 -5.032 1.00 0.00 C ATOM 1074 O PHE A 71 -9.877 3.597 -4.116 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.093 1.792 -4.660 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.687 2.152 -3.250 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.514 1.900 -2.162 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.445 2.724 -3.016 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -7.111 2.214 -0.878 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.041 3.042 -1.734 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.873 2.786 -0.664 1.00 0.00 C ATOM 0 H PHE A 71 -8.060 0.962 -6.790 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.090 1.212 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.651 0.828 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.663 2.526 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.484 1.453 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.785 2.923 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.764 2.012 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.073 3.491 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.557 3.032 0.339 1.00 0.00 H new ATOM 1091 N SER A 72 -8.975 3.767 -6.167 1.00 0.00 N ATOM 1092 CA SER A 72 -9.471 5.115 -6.390 1.00 0.00 C ATOM 1093 C SER A 72 -9.723 5.360 -7.874 1.00 0.00 C ATOM 1094 O SER A 72 -9.032 4.815 -8.735 1.00 0.00 O ATOM 1095 CB SER A 72 -8.469 6.139 -5.851 1.00 0.00 C ATOM 1096 OG SER A 72 -8.971 7.459 -5.973 1.00 0.00 O ATOM 0 H SER A 72 -8.446 3.378 -6.948 1.00 0.00 H new ATOM 0 HA SER A 72 -10.416 5.226 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.253 5.924 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.528 6.053 -6.395 1.00 0.00 H new ATOM 0 HG SER A 72 -9.869 7.505 -5.584 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.719 6.191 -8.161 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.084 6.515 -9.533 1.00 0.00 C ATOM 1104 C ALA A 73 -10.139 7.559 -10.123 1.00 0.00 C ATOM 1105 O ALA A 73 -10.190 7.852 -11.318 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.523 7.006 -9.591 1.00 0.00 C ATOM 0 H ALA A 73 -11.291 6.655 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.996 5.608 -10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.785 7.245 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.189 6.227 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.628 7.898 -8.974 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.281 8.119 -9.280 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.325 9.107 -9.741 1.00 0.00 C ATOM 1114 C GLY A 74 -6.915 8.559 -9.784 1.00 0.00 C ATOM 1115 O GLY A 74 -5.944 9.311 -9.885 1.00 0.00 O ATOM 0 H GLY A 74 -9.230 7.906 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.610 9.450 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.356 9.975 -9.083 1.00 0.00 H new ATOM 1119 N ALA A 75 -6.799 7.241 -9.714 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.498 6.595 -9.691 1.00 0.00 C ATOM 1121 C ALA A 75 -5.078 6.153 -11.090 1.00 0.00 C ATOM 1122 O ALA A 75 -5.919 5.928 -11.962 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.517 5.414 -8.736 1.00 0.00 C ATOM 0 H ALA A 75 -7.591 6.599 -9.672 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.763 7.318 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.537 4.938 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.761 5.762 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.267 4.694 -9.063 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.772 6.034 -11.295 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.218 5.696 -12.595 1.00 0.00 C ATOM 1131 C ARG A 76 -2.712 4.263 -12.607 1.00 0.00 C ATOM 1132 O ARG A 76 -2.249 3.762 -11.589 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.059 6.633 -12.936 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.415 8.113 -12.874 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.617 8.439 -13.748 1.00 0.00 C ATOM 1136 NE ARG A 76 -3.424 8.021 -15.137 1.00 0.00 N ATOM 1137 CZ ARG A 76 -4.423 7.795 -15.990 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -5.683 7.961 -15.603 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -4.162 7.411 -17.232 1.00 0.00 N ATOM 0 H ARG A 76 -3.071 6.169 -10.566 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.010 5.805 -13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.236 6.440 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.700 6.399 -13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.628 8.393 -11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.559 8.707 -13.195 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.502 7.948 -13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.806 9.512 -13.717 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.469 7.895 -15.472 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.888 8.262 -14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.445 7.787 -16.258 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.196 7.288 -17.536 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.927 7.238 -17.884 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.796 3.615 -13.762 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.282 2.261 -13.915 1.00 0.00 C ATOM 1155 C ALA A 77 -0.762 2.272 -13.958 1.00 0.00 C ATOM 1156 O ALA A 77 -0.158 2.960 -14.787 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.834 1.611 -15.177 1.00 0.00 C ATOM 0 H ALA A 77 -3.215 4.005 -14.606 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.607 1.677 -13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.436 0.601 -15.270 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.922 1.569 -15.119 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.540 2.198 -16.047 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.154 1.520 -13.055 1.00 0.00 N ATOM 1164 CA LEU A 78 1.295 1.414 -12.986 1.00 0.00 C ATOM 1165 C LEU A 78 1.835 0.687 -14.214 1.00 0.00 C ATOM 1166 O LEU A 78 1.130 -0.105 -14.843 1.00 0.00 O ATOM 1167 CB LEU A 78 1.709 0.703 -11.695 1.00 0.00 C ATOM 1168 CG LEU A 78 1.893 1.614 -10.470 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.671 2.496 -10.238 1.00 0.00 C ATOM 1170 CD2 LEU A 78 2.182 0.778 -9.232 1.00 0.00 C ATOM 0 H LEU A 78 -0.647 0.969 -12.353 1.00 0.00 H new ATOM 0 HA LEU A 78 1.724 2.416 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.957 -0.049 -11.457 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.644 0.173 -11.876 1.00 0.00 H new ATOM 0 HG LEU A 78 2.742 2.268 -10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.838 3.126 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.505 3.125 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.204 1.868 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.310 1.435 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.349 0.099 -9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.094 0.201 -9.387 1.00 0.00 H new ATOM 1182 N SER A 79 3.080 0.967 -14.559 1.00 0.00 N ATOM 1183 CA SER A 79 3.638 0.520 -15.825 1.00 0.00 C ATOM 1184 C SER A 79 4.455 -0.765 -15.708 1.00 0.00 C ATOM 1185 O SER A 79 4.465 -1.410 -14.663 1.00 0.00 O ATOM 1186 CB SER A 79 4.472 1.647 -16.435 1.00 0.00 C ATOM 1187 OG SER A 79 5.407 2.158 -15.499 1.00 0.00 O ATOM 0 H SER A 79 3.726 1.503 -13.979 1.00 0.00 H new ATOM 0 HA SER A 79 2.803 0.277 -16.482 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.999 1.278 -17.315 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.814 2.449 -16.771 1.00 0.00 H new ATOM 0 HG SER A 79 4.928 2.551 -14.739 1.00 0.00 H new ATOM 1193 N ASP A 80 5.125 -1.118 -16.808 1.00 0.00 N ATOM 1194 CA ASP A 80 5.838 -2.394 -16.958 1.00 0.00 C ATOM 1195 C ASP A 80 6.742 -2.716 -15.787 1.00 0.00 C ATOM 1196 O ASP A 80 6.421 -3.586 -14.971 1.00 0.00 O ATOM 1197 CB ASP A 80 6.643 -2.383 -18.262 1.00 0.00 C ATOM 1198 CG ASP A 80 7.486 -3.628 -18.454 1.00 0.00 C ATOM 1199 OD1 ASP A 80 6.920 -4.696 -18.771 1.00 0.00 O ATOM 1200 OD2 ASP A 80 8.723 -3.540 -18.306 1.00 0.00 O ATOM 0 H ASP A 80 5.190 -0.520 -17.631 1.00 0.00 H new ATOM 0 HA ASP A 80 5.083 -3.180 -16.987 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.958 -2.283 -19.104 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.292 -1.507 -18.273 1.00 0.00 H new ATOM 1205 N ALA A 81 7.857 -2.024 -15.678 1.00 0.00 N ATOM 1206 CA ALA A 81 8.820 -2.372 -14.662 1.00 0.00 C ATOM 1207 C ALA A 81 8.369 -1.850 -13.310 1.00 0.00 C ATOM 1208 O ALA A 81 8.762 -2.366 -12.267 1.00 0.00 O ATOM 1209 CB ALA A 81 10.206 -1.854 -15.016 1.00 0.00 C ATOM 0 H ALA A 81 8.113 -1.233 -16.269 1.00 0.00 H new ATOM 0 HA ALA A 81 8.883 -3.459 -14.608 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.910 -2.132 -14.231 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.527 -2.290 -15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.176 -0.768 -15.108 1.00 0.00 H new ATOM 1215 N GLU A 82 7.515 -0.843 -13.352 1.00 0.00 N ATOM 1216 CA GLU A 82 6.961 -0.230 -12.170 1.00 0.00 C ATOM 1217 C GLU A 82 6.088 -1.218 -11.418 1.00 0.00 C ATOM 1218 O GLU A 82 6.363 -1.508 -10.261 1.00 0.00 O ATOM 1219 CB GLU A 82 6.187 1.007 -12.605 1.00 0.00 C ATOM 1220 CG GLU A 82 5.419 1.700 -11.510 1.00 0.00 C ATOM 1221 CD GLU A 82 4.757 2.959 -12.021 1.00 0.00 C ATOM 1222 OE1 GLU A 82 4.212 2.925 -13.145 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.797 3.989 -11.325 1.00 0.00 O ATOM 0 H GLU A 82 7.186 -0.426 -14.223 1.00 0.00 H new ATOM 0 HA GLU A 82 7.751 0.068 -11.481 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.887 1.719 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.489 0.721 -13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.663 1.025 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.093 1.947 -10.690 1.00 0.00 H new ATOM 1230 N THR A 83 5.066 -1.764 -12.077 1.00 0.00 N ATOM 1231 CA THR A 83 4.241 -2.789 -11.444 1.00 0.00 C ATOM 1232 C THR A 83 5.110 -3.971 -11.016 1.00 0.00 C ATOM 1233 O THR A 83 4.945 -4.506 -9.925 1.00 0.00 O ATOM 1234 CB THR A 83 3.130 -3.304 -12.381 1.00 0.00 C ATOM 1235 OG1 THR A 83 2.494 -2.204 -13.039 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.085 -4.091 -11.602 1.00 0.00 C ATOM 0 H THR A 83 4.794 -1.519 -13.029 1.00 0.00 H new ATOM 0 HA THR A 83 3.770 -2.327 -10.576 1.00 0.00 H new ATOM 0 HB THR A 83 3.590 -3.960 -13.120 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.051 -1.904 -13.787 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.312 -4.444 -12.285 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.559 -4.945 -11.118 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.635 -3.448 -10.845 1.00 0.00 H new ATOM 1244 N LYS A 84 6.060 -4.338 -11.873 1.00 0.00 N ATOM 1245 CA LYS A 84 6.938 -5.480 -11.629 1.00 0.00 C ATOM 1246 C LYS A 84 7.679 -5.361 -10.294 1.00 0.00 C ATOM 1247 O LYS A 84 7.532 -6.210 -9.414 1.00 0.00 O ATOM 1248 CB LYS A 84 7.944 -5.619 -12.776 1.00 0.00 C ATOM 1249 CG LYS A 84 9.038 -6.638 -12.508 1.00 0.00 C ATOM 1250 CD LYS A 84 9.977 -6.773 -13.696 1.00 0.00 C ATOM 1251 CE LYS A 84 11.097 -7.763 -13.413 1.00 0.00 C ATOM 1252 NZ LYS A 84 10.586 -9.139 -13.184 1.00 0.00 N ATOM 0 H LYS A 84 6.242 -3.855 -12.752 1.00 0.00 H new ATOM 0 HA LYS A 84 6.312 -6.371 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.410 -5.902 -13.683 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.402 -4.648 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.606 -6.341 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.589 -7.606 -12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.414 -7.099 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.403 -5.799 -13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.793 -7.771 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.657 -7.435 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.383 -9.807 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.081 -9.175 -12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.935 -9.400 -13.952 1.00 0.00 H new ATOM 1266 N VAL A 85 8.468 -4.309 -10.142 1.00 0.00 N ATOM 1267 CA VAL A 85 9.276 -4.143 -8.939 1.00 0.00 C ATOM 1268 C VAL A 85 8.407 -3.721 -7.750 1.00 0.00 C ATOM 1269 O VAL A 85 8.727 -4.013 -6.595 1.00 0.00 O ATOM 1270 CB VAL A 85 10.423 -3.133 -9.169 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.880 -1.768 -9.530 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.327 -3.043 -7.954 1.00 0.00 C ATOM 0 H VAL A 85 8.568 -3.562 -10.829 1.00 0.00 H new ATOM 0 HA VAL A 85 9.725 -5.108 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 85 11.018 -3.496 -10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.708 -1.077 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.291 -1.841 -10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.249 -1.401 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.124 -2.325 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.746 -2.718 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.762 -4.022 -7.751 1.00 0.00 H new ATOM 1282 N PHE A 86 7.295 -3.052 -8.040 1.00 0.00 N ATOM 1283 CA PHE A 86 6.325 -2.700 -7.017 1.00 0.00 C ATOM 1284 C PHE A 86 5.712 -3.971 -6.417 1.00 0.00 C ATOM 1285 O PHE A 86 5.445 -4.033 -5.220 1.00 0.00 O ATOM 1286 CB PHE A 86 5.254 -1.777 -7.618 1.00 0.00 C ATOM 1287 CG PHE A 86 4.188 -1.343 -6.648 1.00 0.00 C ATOM 1288 CD1 PHE A 86 4.361 -0.205 -5.876 1.00 0.00 C ATOM 1289 CD2 PHE A 86 3.015 -2.067 -6.511 1.00 0.00 C ATOM 1290 CE1 PHE A 86 3.386 0.200 -4.984 1.00 0.00 C ATOM 1291 CE2 PHE A 86 2.037 -1.666 -5.621 1.00 0.00 C ATOM 1292 CZ PHE A 86 2.223 -0.530 -4.856 1.00 0.00 C ATOM 0 H PHE A 86 7.046 -2.743 -8.980 1.00 0.00 H new ATOM 0 HA PHE A 86 6.818 -2.160 -6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.742 -0.890 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.779 -2.289 -8.455 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.269 0.372 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.863 -2.955 -7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.535 1.088 -4.387 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.127 -2.240 -5.523 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.460 -0.215 -4.160 1.00 0.00 H new ATOM 1302 N LEU A 87 5.513 -4.990 -7.258 1.00 0.00 N ATOM 1303 CA LEU A 87 5.094 -6.309 -6.786 1.00 0.00 C ATOM 1304 C LEU A 87 6.177 -6.913 -5.899 1.00 0.00 C ATOM 1305 O LEU A 87 5.893 -7.478 -4.847 1.00 0.00 O ATOM 1306 CB LEU A 87 4.833 -7.259 -7.964 1.00 0.00 C ATOM 1307 CG LEU A 87 3.646 -6.910 -8.868 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.697 -7.733 -10.146 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.331 -7.152 -8.152 1.00 0.00 C ATOM 0 H LEU A 87 5.636 -4.925 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 87 4.172 -6.183 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.732 -7.296 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.677 -8.262 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 87 3.713 -5.852 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.848 -7.475 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.624 -7.521 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.655 -8.794 -9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.504 -6.897 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.259 -8.202 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.284 -6.531 -7.257 1.00 0.00 H new ATOM 1321 N LYS A 88 7.424 -6.755 -6.332 1.00 0.00 N ATOM 1322 CA LYS A 88 8.574 -7.333 -5.641 1.00 0.00 C ATOM 1323 C LYS A 88 8.772 -6.696 -4.266 1.00 0.00 C ATOM 1324 O LYS A 88 9.464 -7.246 -3.408 1.00 0.00 O ATOM 1325 CB LYS A 88 9.829 -7.151 -6.499 1.00 0.00 C ATOM 1326 CG LYS A 88 11.048 -7.911 -6.007 1.00 0.00 C ATOM 1327 CD LYS A 88 10.836 -9.411 -6.114 1.00 0.00 C ATOM 1328 CE LYS A 88 12.114 -10.185 -5.829 1.00 0.00 C ATOM 1329 NZ LYS A 88 13.167 -9.917 -6.845 1.00 0.00 N ATOM 0 H LYS A 88 7.666 -6.225 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 88 8.389 -8.396 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.606 -7.469 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.072 -6.089 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.921 -7.621 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.254 -7.643 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.061 -9.719 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.478 -9.657 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.487 -9.917 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.894 -11.252 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.888 -10.665 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.739 -9.901 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.611 -8.997 -6.650 1.00 0.00 H new ATOM 1343 N ALA A 89 8.166 -5.530 -4.062 1.00 0.00 N ATOM 1344 CA ALA A 89 8.187 -4.876 -2.759 1.00 0.00 C ATOM 1345 C ALA A 89 7.483 -5.740 -1.722 1.00 0.00 C ATOM 1346 O ALA A 89 7.738 -5.630 -0.523 1.00 0.00 O ATOM 1347 CB ALA A 89 7.524 -3.509 -2.833 1.00 0.00 C ATOM 0 H ALA A 89 7.655 -5.020 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 89 9.227 -4.742 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.550 -3.038 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.058 -2.884 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.488 -3.624 -3.153 1.00 0.00 H new ATOM 1353 N GLY A 90 6.602 -6.606 -2.201 1.00 0.00 N ATOM 1354 CA GLY A 90 5.857 -7.478 -1.320 1.00 0.00 C ATOM 1355 C GLY A 90 6.110 -8.930 -1.635 1.00 0.00 C ATOM 1356 O GLY A 90 6.594 -9.682 -0.788 1.00 0.00 O ATOM 0 H GLY A 90 6.390 -6.720 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.135 -7.275 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.792 -7.265 -1.411 1.00 0.00 H new ATOM 1360 N ASP A 91 5.789 -9.324 -2.859 1.00 0.00 N ATOM 1361 CA ASP A 91 6.037 -10.682 -3.304 1.00 0.00 C ATOM 1362 C ASP A 91 7.528 -10.883 -3.514 1.00 0.00 C ATOM 1363 O ASP A 91 8.099 -10.405 -4.493 1.00 0.00 O ATOM 1364 CB ASP A 91 5.299 -10.989 -4.594 1.00 0.00 C ATOM 1365 CG ASP A 91 5.454 -12.441 -4.972 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.320 -13.306 -4.074 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.737 -12.727 -6.145 1.00 0.00 O ATOM 0 H ASP A 91 5.357 -8.721 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 91 5.671 -11.361 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.242 -10.750 -4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.682 -10.358 -5.396 1.00 0.00 H new ATOM 1372 N SER A 92 8.152 -11.595 -2.597 1.00 0.00 N ATOM 1373 CA SER A 92 9.592 -11.759 -2.616 1.00 0.00 C ATOM 1374 C SER A 92 9.949 -12.970 -3.459 1.00 0.00 C ATOM 1375 O SER A 92 11.097 -13.156 -3.860 1.00 0.00 O ATOM 1376 CB SER A 92 10.114 -11.922 -1.186 1.00 0.00 C ATOM 1377 OG SER A 92 11.530 -11.903 -1.144 1.00 0.00 O ATOM 0 H SER A 92 7.682 -12.071 -1.827 1.00 0.00 H new ATOM 0 HA SER A 92 10.058 -10.876 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.720 -11.121 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.749 -12.861 -0.769 1.00 0.00 H new ATOM 0 HG SER A 92 11.831 -12.008 -0.217 1.00 0.00 H new ATOM 1383 N ASP A 93 8.941 -13.777 -3.742 1.00 0.00 N ATOM 1384 CA ASP A 93 9.142 -15.023 -4.471 1.00 0.00 C ATOM 1385 C ASP A 93 9.301 -14.761 -5.963 1.00 0.00 C ATOM 1386 O ASP A 93 9.941 -15.530 -6.680 1.00 0.00 O ATOM 1387 CB ASP A 93 7.966 -15.976 -4.255 1.00 0.00 C ATOM 1388 CG ASP A 93 7.439 -15.951 -2.837 1.00 0.00 C ATOM 1389 OD1 ASP A 93 7.946 -16.711 -1.988 1.00 0.00 O ATOM 1390 OD2 ASP A 93 6.508 -15.157 -2.566 1.00 0.00 O ATOM 0 H ASP A 93 7.973 -13.594 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 93 10.053 -15.481 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.161 -15.712 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.277 -16.991 -4.504 1.00 0.00 H new ATOM 1395 N GLY A 94 8.722 -13.657 -6.423 1.00 0.00 N ATOM 1396 CA GLY A 94 8.765 -13.326 -7.833 1.00 0.00 C ATOM 1397 C GLY A 94 7.725 -14.093 -8.622 1.00 0.00 C ATOM 1398 O GLY A 94 7.963 -14.491 -9.762 1.00 0.00 O ATOM 0 H GLY A 94 8.222 -12.984 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.602 -12.256 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.757 -13.546 -8.228 1.00 0.00 H new ATOM 1402 N ASP A 95 6.564 -14.290 -8.011 1.00 0.00 N ATOM 1403 CA ASP A 95 5.475 -15.034 -8.629 1.00 0.00 C ATOM 1404 C ASP A 95 4.701 -14.141 -9.590 1.00 0.00 C ATOM 1405 O ASP A 95 4.011 -14.622 -10.491 1.00 0.00 O ATOM 1406 CB ASP A 95 4.509 -15.575 -7.566 1.00 0.00 C ATOM 1407 CG ASP A 95 5.107 -16.643 -6.672 1.00 0.00 C ATOM 1408 OD1 ASP A 95 5.552 -17.690 -7.193 1.00 0.00 O ATOM 1409 OD2 ASP A 95 5.113 -16.457 -5.441 1.00 0.00 O ATOM 0 H ASP A 95 6.351 -13.940 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 95 5.913 -15.870 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.168 -14.746 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.630 -15.984 -8.064 1.00 0.00 H new ATOM 1414 N GLY A 96 4.828 -12.833 -9.388 1.00 0.00 N ATOM 1415 CA GLY A 96 4.109 -11.874 -10.210 1.00 0.00 C ATOM 1416 C GLY A 96 2.774 -11.502 -9.598 1.00 0.00 C ATOM 1417 O GLY A 96 1.850 -11.089 -10.295 1.00 0.00 O ATOM 0 H GLY A 96 5.418 -12.418 -8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.714 -10.976 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.950 -12.293 -11.204 1.00 0.00 H new ATOM 1421 N LYS A 97 2.688 -11.649 -8.288 1.00 0.00 N ATOM 1422 CA LYS A 97 1.456 -11.422 -7.545 1.00 0.00 C ATOM 1423 C LYS A 97 1.750 -10.613 -6.309 1.00 0.00 C ATOM 1424 O LYS A 97 2.894 -10.250 -6.058 1.00 0.00 O ATOM 1425 CB LYS A 97 0.849 -12.761 -7.116 1.00 0.00 C ATOM 1426 CG LYS A 97 1.785 -13.591 -6.245 1.00 0.00 C ATOM 1427 CD LYS A 97 1.088 -14.794 -5.632 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.050 -14.392 -4.709 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.557 -15.551 -3.928 1.00 0.00 N ATOM 0 H LYS A 97 3.475 -11.931 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 97 0.756 -10.887 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.076 -12.575 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.585 -13.335 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.630 -13.930 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.189 -12.964 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.700 -15.431 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.813 -15.386 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.292 -13.614 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.863 -13.965 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.344 -15.243 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.890 -16.290 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.208 -15.932 -3.335 1.00 0.00 H new ATOM 1443 N ILE A 98 0.718 -10.314 -5.555 1.00 0.00 N ATOM 1444 CA ILE A 98 0.901 -9.768 -4.233 1.00 0.00 C ATOM 1445 C ILE A 98 0.125 -10.589 -3.220 1.00 0.00 C ATOM 1446 O ILE A 98 -1.105 -10.600 -3.220 1.00 0.00 O ATOM 1447 CB ILE A 98 0.473 -8.286 -4.153 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.557 -7.373 -4.723 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.149 -7.887 -2.726 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.863 -7.427 -3.958 1.00 0.00 C ATOM 0 H ILE A 98 -0.255 -10.440 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 98 1.966 -9.814 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.429 -8.171 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.743 -7.648 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.190 -6.347 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.149 -6.839 -2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.667 -8.506 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.030 -8.029 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.584 -6.753 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.693 -7.122 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.254 -8.444 -3.976 1.00 0.00 H new ATOM 1462 N GLY A 99 0.842 -11.323 -2.394 1.00 0.00 N ATOM 1463 CA GLY A 99 0.220 -11.903 -1.237 1.00 0.00 C ATOM 1464 C GLY A 99 -0.153 -10.808 -0.281 1.00 0.00 C ATOM 1465 O GLY A 99 0.610 -9.865 -0.103 1.00 0.00 O ATOM 0 H GLY A 99 1.836 -11.526 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.667 -12.466 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.900 -12.606 -0.757 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.321 -10.897 0.307 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.794 -9.848 1.194 1.00 0.00 C ATOM 1471 C VAL A 100 -0.841 -9.655 2.370 1.00 0.00 C ATOM 1472 O VAL A 100 -0.528 -8.526 2.749 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.206 -10.168 1.685 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.675 -9.149 2.712 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.146 -10.231 0.493 1.00 0.00 C ATOM 0 H VAL A 100 -1.964 -11.680 0.192 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.825 -8.913 0.635 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.202 -11.138 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.682 -9.403 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.999 -9.157 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.680 -8.156 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.155 -10.459 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.146 -9.270 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.812 -11.009 -0.193 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.362 -10.761 2.919 1.00 0.00 N ATOM 1486 CA ASP A 101 0.656 -10.724 3.963 1.00 0.00 C ATOM 1487 C ASP A 101 1.932 -10.063 3.433 1.00 0.00 C ATOM 1488 O ASP A 101 2.600 -9.302 4.140 1.00 0.00 O ATOM 1489 CB ASP A 101 0.959 -12.141 4.450 1.00 0.00 C ATOM 1490 CG ASP A 101 1.875 -12.164 5.657 1.00 0.00 C ATOM 1491 OD1 ASP A 101 3.110 -12.161 5.480 1.00 0.00 O ATOM 1492 OD2 ASP A 101 1.362 -12.202 6.795 1.00 0.00 O ATOM 0 H ASP A 101 -0.662 -11.700 2.659 1.00 0.00 H new ATOM 0 HA ASP A 101 0.280 -10.137 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.024 -12.642 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.418 -12.708 3.640 1.00 0.00 H new ATOM 1497 N GLU A 102 2.246 -10.349 2.171 1.00 0.00 N ATOM 1498 CA GLU A 102 3.409 -9.769 1.504 1.00 0.00 C ATOM 1499 C GLU A 102 3.214 -8.263 1.307 1.00 0.00 C ATOM 1500 O GLU A 102 4.143 -7.475 1.477 1.00 0.00 O ATOM 1501 CB GLU A 102 3.643 -10.464 0.148 1.00 0.00 C ATOM 1502 CG GLU A 102 3.873 -11.968 0.263 1.00 0.00 C ATOM 1503 CD GLU A 102 4.092 -12.653 -1.079 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.123 -12.837 -1.831 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.234 -13.061 -1.385 1.00 0.00 O ATOM 0 H GLU A 102 1.705 -10.985 1.585 1.00 0.00 H new ATOM 0 HA GLU A 102 4.287 -9.923 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.782 -10.285 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.505 -10.009 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.740 -12.147 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.015 -12.422 0.758 1.00 0.00 H new ATOM 1512 N PHE A 103 1.989 -7.875 0.966 1.00 0.00 N ATOM 1513 CA PHE A 103 1.642 -6.471 0.765 1.00 0.00 C ATOM 1514 C PHE A 103 1.713 -5.719 2.085 1.00 0.00 C ATOM 1515 O PHE A 103 2.299 -4.641 2.162 1.00 0.00 O ATOM 1516 CB PHE A 103 0.231 -6.356 0.179 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.063 -5.030 -0.470 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.551 -4.678 -1.661 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.958 -4.145 0.101 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.278 -3.468 -2.269 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.235 -2.932 -0.502 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.616 -2.593 -1.687 1.00 0.00 C ATOM 0 H PHE A 103 1.212 -8.520 0.822 1.00 0.00 H new ATOM 0 HA PHE A 103 2.355 -6.032 0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.090 -7.147 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.495 -6.528 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.252 -5.359 -2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.447 -4.404 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.763 -3.207 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.936 -2.250 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.831 -1.645 -2.158 1.00 0.00 H new ATOM 1532 N GLY A 104 1.126 -6.308 3.122 1.00 0.00 N ATOM 1533 CA GLY A 104 1.144 -5.705 4.443 1.00 0.00 C ATOM 1534 C GLY A 104 2.551 -5.433 4.932 1.00 0.00 C ATOM 1535 O GLY A 104 2.790 -4.473 5.666 1.00 0.00 O ATOM 0 H GLY A 104 0.634 -7.200 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.583 -4.771 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.638 -6.365 5.148 1.00 0.00 H new ATOM 1539 N ALA A 105 3.489 -6.276 4.518 1.00 0.00 N ATOM 1540 CA ALA A 105 4.887 -6.089 4.866 1.00 0.00 C ATOM 1541 C ALA A 105 5.461 -4.853 4.179 1.00 0.00 C ATOM 1542 O ALA A 105 6.210 -4.091 4.788 1.00 0.00 O ATOM 1543 CB ALA A 105 5.697 -7.322 4.501 1.00 0.00 C ATOM 0 H ALA A 105 3.304 -7.096 3.940 1.00 0.00 H new ATOM 0 HA ALA A 105 4.949 -5.938 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.742 -7.164 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.310 -8.185 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.621 -7.503 3.429 1.00 0.00 H new ATOM 1549 N MET A 106 5.085 -4.638 2.920 1.00 0.00 N ATOM 1550 CA MET A 106 5.605 -3.505 2.159 1.00 0.00 C ATOM 1551 C MET A 106 4.935 -2.203 2.601 1.00 0.00 C ATOM 1552 O MET A 106 5.461 -1.118 2.372 1.00 0.00 O ATOM 1553 CB MET A 106 5.421 -3.708 0.645 1.00 0.00 C ATOM 1554 CG MET A 106 4.153 -3.082 0.081 1.00 0.00 C ATOM 1555 SD MET A 106 4.162 -2.949 -1.719 1.00 0.00 S ATOM 1556 CE MET A 106 3.927 -4.652 -2.202 1.00 0.00 C ATOM 0 H MET A 106 4.428 -5.228 2.409 1.00 0.00 H new ATOM 0 HA MET A 106 6.674 -3.439 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.282 -3.287 0.126 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.411 -4.777 0.432 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.294 -3.677 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.024 -2.089 0.511 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.793 -4.992 -2.769 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.811 -5.270 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.033 -4.735 -2.820 1.00 0.00 H new ATOM 1566 N ILE A 107 3.774 -2.319 3.235 1.00 0.00 N ATOM 1567 CA ILE A 107 3.061 -1.151 3.737 1.00 0.00 C ATOM 1568 C ILE A 107 3.698 -0.687 5.036 1.00 0.00 C ATOM 1569 O ILE A 107 3.840 0.507 5.299 1.00 0.00 O ATOM 1570 CB ILE A 107 1.570 -1.463 4.001 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.887 -1.965 2.732 1.00 0.00 C ATOM 1572 CG2 ILE A 107 0.853 -0.231 4.529 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.524 -2.451 2.968 1.00 0.00 C ATOM 0 H ILE A 107 3.307 -3.208 3.413 1.00 0.00 H new ATOM 0 HA ILE A 107 3.123 -0.372 2.977 1.00 0.00 H new ATOM 0 HB ILE A 107 1.518 -2.249 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.869 -1.162 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.477 -2.776 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.195 -0.469 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.318 0.089 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.922 0.572 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.953 -2.794 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.511 -3.274 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.128 -1.636 3.366 1.00 0.00 H new ATOM 1585 N LYS A 108 4.100 -1.666 5.826 1.00 0.00 N ATOM 1586 CA LYS A 108 4.660 -1.427 7.144 1.00 0.00 C ATOM 1587 C LYS A 108 6.148 -1.091 7.046 1.00 0.00 C ATOM 1588 O LYS A 108 6.739 -0.537 7.975 1.00 0.00 O ATOM 1589 CB LYS A 108 4.402 -2.674 8.003 1.00 0.00 C ATOM 1590 CG LYS A 108 5.032 -2.664 9.390 1.00 0.00 C ATOM 1591 CD LYS A 108 6.394 -3.347 9.405 1.00 0.00 C ATOM 1592 CE LYS A 108 6.295 -4.837 9.094 1.00 0.00 C ATOM 1593 NZ LYS A 108 5.379 -5.550 10.024 1.00 0.00 N ATOM 0 H LYS A 108 4.047 -2.652 5.571 1.00 0.00 H new ATOM 0 HA LYS A 108 4.183 -0.567 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.325 -2.799 8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.770 -3.547 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.139 -1.635 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.367 -3.166 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.047 -2.868 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.856 -3.212 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.945 -4.969 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.287 -5.284 9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.794 -6.468 10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.240 -4.977 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.462 -5.704 9.558 1.00 0.00 H new ATOM 1607 N ALA A 109 6.742 -1.409 5.906 1.00 0.00 N ATOM 1608 CA ALA A 109 8.153 -1.147 5.678 1.00 0.00 C ATOM 1609 C ALA A 109 8.404 0.342 5.466 1.00 0.00 C ATOM 1610 O ALA A 109 8.059 0.855 4.384 1.00 0.00 O ATOM 1611 CB ALA A 109 8.655 -1.949 4.487 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.957 0.995 6.380 1.00 0.00 O ATOM 0 H ALA A 109 6.265 -1.851 5.121 1.00 0.00 H new ATOM 0 HA ALA A 109 8.705 -1.459 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.713 -1.742 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.518 -3.013 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.093 -1.668 3.596 1.00 0.00 H new TER 1618 ALA A 109 HETATM 1619 CA CA A 201 -7.365 -11.685 -7.795 1.00 0.00 CA HETATM 1620 CA CA A 202 4.964 -14.330 -2.680 1.00 0.00 CA