USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 38 GLN : amide:sc= -15.8! C(o=-16!,f=-16!) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.218 X(o=-16,f=-16) USER MOD Set 2.1: A 25 SER OG : rot -137:sc= 0.742 USER MOD Set 2.2: A 85 HIS : no HE2:sc= 0.441! C(o=1.2!,f=-5.9!) USER MOD Single : A 1 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=-0.0029) USER MOD Single : A 1 HIS N :NH3+ 151:sc= 1.28 (180deg=0.991) USER MOD Single : A 2 HIS : no HD1:sc= -0.0932 X(o=-0.093,f=-0.099) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.1 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0184) USER MOD Single : A 15 THR OG1 : rot 76:sc= 0.743 USER MOD Single : A 28 THR OG1 : rot 63:sc= 0.456! USER MOD Single : A 29 ASN :FLIP amide:sc= -5.49! C(o=-12!,f=-5.5!) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.42! C(o=-3.4!,f=-2.4!) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.71! C(o=-6.6!,f=-1.7!) USER MOD Single : A 40 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.27) USER MOD Single : A 43 ASN : amide:sc= -2.47 K(o=-2.5,f=-4.8!) USER MOD Single : A 48 TYR OH : rot -57:sc= 2.41 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -49:sc= 1.01 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.567 F(o=-3.8!,f=-0.57) USER MOD Single : A 56 ASN : amide:sc= -8.43! C(o=-8.4!,f=-10!) USER MOD Single : A 61 MET CE :methyl 154:sc= -9.43! (180deg=-11.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 67 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.088) USER MOD Single : A 69 GLN : amide:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0859) USER MOD Single : A 74 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.2) USER MOD Single : A 78 THR OG1 : rot 60:sc= 1.25 USER MOD Single : A 86 HIS : no HD1:sc= -0.0258 K(o=-0.026,f=-1.3) USER MOD Single : A 88 HIS : no HD1:sc= -0.0847 K(o=-0.085,f=-0.62) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.092 7.147 16.078 1.00 0.00 N ATOM 2 CA HIS A 1 1.817 6.678 14.877 1.00 0.00 C ATOM 3 C HIS A 1 1.270 5.338 14.406 1.00 0.00 C ATOM 4 O HIS A 1 0.881 4.501 15.221 1.00 0.00 O ATOM 5 CB HIS A 1 3.332 6.588 15.126 1.00 0.00 C ATOM 6 CG HIS A 1 3.736 5.804 16.340 1.00 0.00 C ATOM 7 ND1 HIS A 1 3.960 4.444 16.326 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.985 6.209 17.607 1.00 0.00 C ATOM 9 CE1 HIS A 1 4.323 4.051 17.532 1.00 0.00 C ATOM 10 NE2 HIS A 1 4.349 5.103 18.329 1.00 0.00 N ATOM 0 H1 HIS A 1 1.724 7.736 16.657 1.00 0.00 H new ATOM 0 H2 HIS A 1 0.266 7.708 15.788 1.00 0.00 H new ATOM 0 H3 HIS A 1 0.776 6.327 16.635 1.00 0.00 H new ATOM 0 HA HIS A 1 1.656 7.415 14.090 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.802 6.139 14.251 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.729 7.599 15.218 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.910 7.220 17.981 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.560 3.037 17.819 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.599 5.094 19.318 1.00 0.00 H new ATOM 21 N HIS A 2 1.217 5.178 13.078 1.00 0.00 N ATOM 22 CA HIS A 2 0.756 3.952 12.419 1.00 0.00 C ATOM 23 C HIS A 2 -0.774 3.921 12.333 1.00 0.00 C ATOM 24 O HIS A 2 -1.345 3.073 11.653 1.00 0.00 O ATOM 25 CB HIS A 2 1.317 2.694 13.118 1.00 0.00 C ATOM 26 CG HIS A 2 0.953 1.386 12.474 1.00 0.00 C ATOM 27 ND1 HIS A 2 1.656 0.842 11.421 1.00 0.00 N ATOM 28 CD2 HIS A 2 -0.032 0.497 12.763 1.00 0.00 C ATOM 29 CE1 HIS A 2 1.123 -0.322 11.093 1.00 0.00 C ATOM 30 NE2 HIS A 2 0.098 -0.554 11.891 1.00 0.00 N ATOM 0 H HIS A 2 1.497 5.908 12.423 1.00 0.00 H new ATOM 0 HA HIS A 2 1.142 3.950 11.400 1.00 0.00 H new ATOM 0 HB2 HIS A 2 2.404 2.773 13.154 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.964 2.683 14.149 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.779 0.599 13.536 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.468 -0.974 10.304 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.500 -1.380 11.864 1.00 0.00 H new ATOM 39 N GLN A 3 -1.434 4.875 12.980 1.00 0.00 N ATOM 40 CA GLN A 3 -2.893 4.920 12.980 1.00 0.00 C ATOM 41 C GLN A 3 -3.415 6.245 12.435 1.00 0.00 C ATOM 42 O GLN A 3 -4.599 6.561 12.576 1.00 0.00 O ATOM 43 CB GLN A 3 -3.448 4.688 14.384 1.00 0.00 C ATOM 44 CG GLN A 3 -3.208 3.287 14.916 1.00 0.00 C ATOM 45 CD GLN A 3 -3.921 3.042 16.230 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.370 3.277 17.304 1.00 0.00 O ATOM 47 NE2 GLN A 3 -5.158 2.575 16.154 1.00 0.00 N ATOM 0 H GLN A 3 -0.986 5.624 13.508 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.236 4.119 12.325 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.996 5.408 15.066 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.520 4.885 14.378 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.547 2.558 14.180 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.138 3.130 15.051 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.579 2.393 15.243 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.689 2.397 17.006 1.00 0.00 H new ATOM 56 N GLU A 4 -2.533 7.018 11.820 1.00 0.00 N ATOM 57 CA GLU A 4 -2.913 8.303 11.239 1.00 0.00 C ATOM 58 C GLU A 4 -3.289 8.117 9.779 1.00 0.00 C ATOM 59 O GLU A 4 -3.748 9.041 9.109 1.00 0.00 O ATOM 60 CB GLU A 4 -1.771 9.318 11.352 1.00 0.00 C ATOM 61 CG GLU A 4 -1.307 9.571 12.777 1.00 0.00 C ATOM 62 CD GLU A 4 -0.616 8.369 13.384 1.00 0.00 C ATOM 63 OE1 GLU A 4 0.197 7.732 12.684 1.00 0.00 O ATOM 64 OE2 GLU A 4 -0.916 8.026 14.549 1.00 0.00 O ATOM 0 H GLU A 4 -1.547 6.780 11.709 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.770 8.687 11.792 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.925 8.964 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.093 10.262 10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.626 10.422 12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.165 9.842 13.392 1.00 0.00 H new ATOM 71 N LEU A 5 -3.080 6.904 9.301 1.00 0.00 N ATOM 72 CA LEU A 5 -3.412 6.538 7.936 1.00 0.00 C ATOM 73 C LEU A 5 -4.928 6.438 7.787 1.00 0.00 C ATOM 74 O LEU A 5 -5.489 6.766 6.746 1.00 0.00 O ATOM 75 CB LEU A 5 -2.718 5.202 7.600 1.00 0.00 C ATOM 76 CG LEU A 5 -2.865 4.670 6.163 1.00 0.00 C ATOM 77 CD1 LEU A 5 -4.201 3.964 5.971 1.00 0.00 C ATOM 78 CD2 LEU A 5 -2.704 5.795 5.150 1.00 0.00 C ATOM 0 H LEU A 5 -2.675 6.144 9.848 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.061 7.297 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.654 5.312 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.101 4.442 8.281 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.072 3.941 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.276 3.599 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.271 3.124 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.014 4.663 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.812 5.395 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.468 6.553 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.717 6.244 5.259 1.00 0.00 H new ATOM 90 N CYS A 6 -5.589 6.042 8.863 1.00 0.00 N ATOM 91 CA CYS A 6 -7.015 5.754 8.814 1.00 0.00 C ATOM 92 C CYS A 6 -7.810 6.824 9.558 1.00 0.00 C ATOM 93 O CYS A 6 -8.711 6.513 10.339 1.00 0.00 O ATOM 94 CB CYS A 6 -7.283 4.378 9.426 1.00 0.00 C ATOM 95 SG CYS A 6 -6.176 3.068 8.816 1.00 0.00 S ATOM 0 H CYS A 6 -5.162 5.913 9.780 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.336 5.755 7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.184 4.448 10.509 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.315 4.094 9.218 1.00 0.00 H new ATOM 100 N THR A 7 -7.478 8.081 9.310 1.00 0.00 N ATOM 101 CA THR A 7 -8.123 9.181 10.004 1.00 0.00 C ATOM 102 C THR A 7 -8.942 10.042 9.040 1.00 0.00 C ATOM 103 O THR A 7 -10.095 10.374 9.320 1.00 0.00 O ATOM 104 CB THR A 7 -7.080 10.057 10.722 1.00 0.00 C ATOM 105 OG1 THR A 7 -6.149 9.217 11.417 1.00 0.00 O ATOM 106 CG2 THR A 7 -7.747 10.997 11.713 1.00 0.00 C ATOM 0 H THR A 7 -6.767 8.363 8.635 1.00 0.00 H new ATOM 0 HA THR A 7 -8.798 8.750 10.743 1.00 0.00 H new ATOM 0 HB THR A 7 -6.559 10.655 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.695 9.737 12.112 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.988 11.604 12.206 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.445 11.647 11.185 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.287 10.415 12.460 1.00 0.00 H new ATOM 114 N LYS A 8 -8.357 10.383 7.894 1.00 0.00 N ATOM 115 CA LYS A 8 -9.013 11.269 6.933 1.00 0.00 C ATOM 116 C LYS A 8 -9.948 10.501 5.997 1.00 0.00 C ATOM 117 O LYS A 8 -10.372 11.025 4.968 1.00 0.00 O ATOM 118 CB LYS A 8 -7.975 12.040 6.113 1.00 0.00 C ATOM 119 CG LYS A 8 -7.091 12.963 6.936 1.00 0.00 C ATOM 120 CD LYS A 8 -6.127 13.736 6.051 1.00 0.00 C ATOM 121 CE LYS A 8 -5.279 14.716 6.851 1.00 0.00 C ATOM 122 NZ LYS A 8 -4.335 14.028 7.771 1.00 0.00 N ATOM 0 H LYS A 8 -7.433 10.061 7.608 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.615 11.975 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.343 11.326 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.492 12.630 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.713 13.661 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.530 12.378 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.476 13.037 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.689 14.279 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.717 15.350 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.932 15.371 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.734 14.733 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.872 13.497 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.738 13.372 7.229 1.00 0.00 H new ATOM 136 N GLY A 9 -10.238 9.256 6.357 1.00 0.00 N ATOM 137 CA GLY A 9 -11.221 8.453 5.644 1.00 0.00 C ATOM 138 C GLY A 9 -11.005 8.388 4.144 1.00 0.00 C ATOM 139 O GLY A 9 -9.909 8.072 3.674 1.00 0.00 O ATOM 0 H GLY A 9 -9.801 8.779 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.205 7.440 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.214 8.858 5.839 1.00 0.00 H new ATOM 143 N ASP A 10 -12.060 8.707 3.399 1.00 0.00 N ATOM 144 CA ASP A 10 -12.035 8.641 1.939 1.00 0.00 C ATOM 145 C ASP A 10 -11.042 9.637 1.379 1.00 0.00 C ATOM 146 O ASP A 10 -10.348 9.363 0.398 1.00 0.00 O ATOM 147 CB ASP A 10 -13.424 8.925 1.357 1.00 0.00 C ATOM 148 CG ASP A 10 -14.445 7.868 1.722 1.00 0.00 C ATOM 149 OD1 ASP A 10 -14.999 7.927 2.843 1.00 0.00 O ATOM 150 OD2 ASP A 10 -14.697 6.970 0.893 1.00 0.00 O ATOM 0 H ASP A 10 -12.951 9.017 3.786 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.732 7.633 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.770 9.895 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.350 8.992 0.272 1.00 0.00 H new ATOM 155 N ASP A 11 -10.962 10.789 2.025 1.00 0.00 N ATOM 156 CA ASP A 11 -10.070 11.849 1.588 1.00 0.00 C ATOM 157 C ASP A 11 -8.638 11.357 1.607 1.00 0.00 C ATOM 158 O ASP A 11 -7.884 11.564 0.652 1.00 0.00 O ATOM 159 CB ASP A 11 -10.208 13.076 2.491 1.00 0.00 C ATOM 160 CG ASP A 11 -11.631 13.587 2.565 1.00 0.00 C ATOM 161 OD1 ASP A 11 -12.017 14.409 1.710 1.00 0.00 O ATOM 162 OD2 ASP A 11 -12.371 13.167 3.477 1.00 0.00 O ATOM 0 H ASP A 11 -11.507 11.014 2.857 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.342 12.133 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.863 12.825 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.560 13.870 2.121 1.00 0.00 H new ATOM 167 N ALA A 12 -8.283 10.684 2.693 1.00 0.00 N ATOM 168 CA ALA A 12 -6.956 10.109 2.837 1.00 0.00 C ATOM 169 C ALA A 12 -6.700 9.064 1.765 1.00 0.00 C ATOM 170 O ALA A 12 -5.689 9.124 1.069 1.00 0.00 O ATOM 171 CB ALA A 12 -6.785 9.489 4.214 1.00 0.00 C ATOM 0 H ALA A 12 -8.900 10.523 3.489 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.230 10.914 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.785 9.065 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.921 10.255 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.526 8.702 4.353 1.00 0.00 H new ATOM 177 N LEU A 13 -7.648 8.144 1.604 1.00 0.00 N ATOM 178 CA LEU A 13 -7.458 6.993 0.728 1.00 0.00 C ATOM 179 C LEU A 13 -7.311 7.410 -0.737 1.00 0.00 C ATOM 180 O LEU A 13 -6.706 6.700 -1.522 1.00 0.00 O ATOM 181 CB LEU A 13 -8.598 5.973 0.925 1.00 0.00 C ATOM 182 CG LEU A 13 -9.950 6.272 0.259 1.00 0.00 C ATOM 183 CD1 LEU A 13 -9.964 5.839 -1.203 1.00 0.00 C ATOM 184 CD2 LEU A 13 -11.065 5.574 1.020 1.00 0.00 C ATOM 0 H LEU A 13 -8.555 8.174 2.069 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.522 6.509 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.250 5.007 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.769 5.865 1.996 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.108 7.350 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.936 6.066 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.187 6.374 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.779 4.767 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.021 5.790 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.891 4.498 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.083 5.933 2.049 1.00 0.00 H new ATOM 196 N VAL A 14 -7.861 8.563 -1.092 1.00 0.00 N ATOM 197 CA VAL A 14 -7.740 9.099 -2.444 1.00 0.00 C ATOM 198 C VAL A 14 -6.415 9.833 -2.617 1.00 0.00 C ATOM 199 O VAL A 14 -5.755 9.709 -3.650 1.00 0.00 O ATOM 200 CB VAL A 14 -8.908 10.051 -2.792 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.682 10.732 -4.134 1.00 0.00 C ATOM 202 CG2 VAL A 14 -10.221 9.288 -2.810 1.00 0.00 C ATOM 0 H VAL A 14 -8.401 9.151 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.776 8.251 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.953 10.822 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.520 11.395 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.760 11.312 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.604 9.977 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.035 9.970 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.172 8.497 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.400 8.849 -1.829 1.00 0.00 H new ATOM 212 N THR A 15 -6.020 10.590 -1.602 1.00 0.00 N ATOM 213 CA THR A 15 -4.723 11.248 -1.619 1.00 0.00 C ATOM 214 C THR A 15 -3.615 10.197 -1.662 1.00 0.00 C ATOM 215 O THR A 15 -2.720 10.236 -2.526 1.00 0.00 O ATOM 216 CB THR A 15 -4.544 12.160 -0.389 1.00 0.00 C ATOM 217 OG1 THR A 15 -5.624 13.101 -0.323 1.00 0.00 O ATOM 218 CG2 THR A 15 -3.221 12.909 -0.450 1.00 0.00 C ATOM 0 H THR A 15 -6.575 10.762 -0.764 1.00 0.00 H new ATOM 0 HA THR A 15 -4.666 11.874 -2.510 1.00 0.00 H new ATOM 0 HB THR A 15 -4.544 11.533 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.432 12.650 0.000 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.122 13.544 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.399 12.194 -0.476 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.193 13.526 -1.348 1.00 0.00 H new ATOM 226 N GLU A 16 -3.706 9.227 -0.758 1.00 0.00 N ATOM 227 CA GLU A 16 -2.760 8.138 -0.745 1.00 0.00 C ATOM 228 C GLU A 16 -2.899 7.354 -2.035 1.00 0.00 C ATOM 229 O GLU A 16 -1.914 6.891 -2.567 1.00 0.00 O ATOM 230 CB GLU A 16 -2.954 7.230 0.474 1.00 0.00 C ATOM 231 CG GLU A 16 -4.210 6.382 0.430 1.00 0.00 C ATOM 232 CD GLU A 16 -4.307 5.413 1.591 1.00 0.00 C ATOM 233 OE1 GLU A 16 -3.678 4.337 1.523 1.00 0.00 O ATOM 234 OE2 GLU A 16 -5.021 5.729 2.565 1.00 0.00 O ATOM 0 H GLU A 16 -4.423 9.180 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.752 8.547 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.089 6.572 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.979 7.848 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.083 7.034 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.233 5.824 -0.506 1.00 0.00 H new ATOM 241 N LEU A 17 -4.127 7.252 -2.553 1.00 0.00 N ATOM 242 CA LEU A 17 -4.376 6.578 -3.832 1.00 0.00 C ATOM 243 C LEU A 17 -3.508 7.162 -4.946 1.00 0.00 C ATOM 244 O LEU A 17 -2.780 6.442 -5.646 1.00 0.00 O ATOM 245 CB LEU A 17 -5.842 6.688 -4.254 1.00 0.00 C ATOM 246 CG LEU A 17 -6.615 5.369 -4.275 1.00 0.00 C ATOM 247 CD1 LEU A 17 -8.056 5.603 -4.700 1.00 0.00 C ATOM 248 CD2 LEU A 17 -5.941 4.371 -5.205 1.00 0.00 C ATOM 0 H LEU A 17 -4.964 7.627 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.122 5.529 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.348 7.376 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.885 7.131 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.616 4.954 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.591 4.654 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.537 6.284 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.074 6.040 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.505 3.438 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.910 4.779 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.925 4.180 -4.859 1.00 0.00 H new ATOM 260 N GLU A 18 -3.587 8.478 -5.096 1.00 0.00 N ATOM 261 CA GLU A 18 -2.838 9.183 -6.125 1.00 0.00 C ATOM 262 C GLU A 18 -1.341 8.947 -5.945 1.00 0.00 C ATOM 263 O GLU A 18 -0.584 8.888 -6.915 1.00 0.00 O ATOM 264 CB GLU A 18 -3.161 10.679 -6.080 1.00 0.00 C ATOM 265 CG GLU A 18 -2.522 11.473 -7.208 1.00 0.00 C ATOM 266 CD GLU A 18 -2.884 12.942 -7.173 1.00 0.00 C ATOM 267 OE1 GLU A 18 -2.226 13.702 -6.432 1.00 0.00 O ATOM 268 OE2 GLU A 18 -3.827 13.345 -7.886 1.00 0.00 O ATOM 0 H GLU A 18 -4.167 9.081 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.130 8.797 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.242 10.810 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.827 11.086 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.438 11.370 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.832 11.050 -8.164 1.00 0.00 H new ATOM 275 N CYS A 19 -0.924 8.788 -4.697 1.00 0.00 N ATOM 276 CA CYS A 19 0.466 8.471 -4.399 1.00 0.00 C ATOM 277 C CYS A 19 0.715 6.969 -4.596 1.00 0.00 C ATOM 278 O CYS A 19 1.815 6.527 -4.937 1.00 0.00 O ATOM 279 CB CYS A 19 0.784 8.874 -2.962 1.00 0.00 C ATOM 280 SG CYS A 19 2.556 9.036 -2.629 1.00 0.00 S ATOM 0 H CYS A 19 -1.525 8.873 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 19 1.116 9.024 -5.077 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.294 9.822 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.362 8.132 -2.284 1.00 0.00 H new ATOM 285 N ILE A 20 -0.348 6.208 -4.405 1.00 0.00 N ATOM 286 CA ILE A 20 -0.347 4.753 -4.487 1.00 0.00 C ATOM 287 C ILE A 20 -0.316 4.277 -5.943 1.00 0.00 C ATOM 288 O ILE A 20 -0.182 3.081 -6.220 1.00 0.00 O ATOM 289 CB ILE A 20 -1.580 4.200 -3.710 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.202 3.978 -2.244 1.00 0.00 C ATOM 291 CG2 ILE A 20 -2.164 2.931 -4.315 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.380 3.641 -1.363 1.00 0.00 C ATOM 0 H ILE A 20 -1.265 6.595 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 20 0.558 4.362 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.367 4.950 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.471 3.172 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.718 4.877 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.018 2.605 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.487 3.130 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.406 2.148 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.038 3.497 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.102 4.457 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.851 2.725 -1.720 1.00 0.00 H new ATOM 304 N ARG A 21 -0.383 5.234 -6.864 1.00 0.00 N ATOM 305 CA ARG A 21 -0.266 4.967 -8.311 1.00 0.00 C ATOM 306 C ARG A 21 0.988 4.182 -8.701 1.00 0.00 C ATOM 307 O ARG A 21 1.216 3.918 -9.881 1.00 0.00 O ATOM 308 CB ARG A 21 -0.387 6.259 -9.115 1.00 0.00 C ATOM 309 CG ARG A 21 -1.784 6.851 -9.050 1.00 0.00 C ATOM 310 CD ARG A 21 -1.909 8.119 -9.872 1.00 0.00 C ATOM 311 NE ARG A 21 -3.251 8.692 -9.778 1.00 0.00 N ATOM 312 CZ ARG A 21 -3.593 9.883 -10.263 1.00 0.00 C ATOM 313 NH1 ARG A 21 -2.704 10.623 -10.912 1.00 0.00 N ATOM 314 NH2 ARG A 21 -4.838 10.326 -10.117 1.00 0.00 N ATOM 0 H ARG A 21 -0.520 6.219 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.103 4.316 -8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.331 6.987 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.126 6.063 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.505 6.116 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.037 7.067 -8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.176 8.849 -9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.678 7.901 -10.915 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.972 8.143 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.752 10.280 -11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.972 11.535 -11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.530 9.753 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.101 11.239 -10.488 1.00 0.00 H new ATOM 328 N LEU A 22 1.807 3.853 -7.712 1.00 0.00 N ATOM 329 CA LEU A 22 2.831 2.839 -7.848 1.00 0.00 C ATOM 330 C LEU A 22 4.009 3.316 -8.679 1.00 0.00 C ATOM 331 O LEU A 22 4.816 2.520 -9.158 1.00 0.00 O ATOM 332 CB LEU A 22 2.190 1.584 -8.409 1.00 0.00 C ATOM 333 CG LEU A 22 2.557 0.280 -7.699 1.00 0.00 C ATOM 334 CD1 LEU A 22 2.173 0.326 -6.232 1.00 0.00 C ATOM 335 CD2 LEU A 22 1.882 -0.897 -8.382 1.00 0.00 C ATOM 0 H LEU A 22 1.776 4.287 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 22 3.253 2.616 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.107 1.704 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.467 1.495 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 22 3.638 0.155 -7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.446 -0.615 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.699 1.147 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.098 0.479 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.151 -1.819 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.800 -0.765 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.209 -0.952 -9.420 1.00 0.00 H new ATOM 347 N ARG A 23 4.116 4.633 -8.801 1.00 0.00 N ATOM 348 CA ARG A 23 5.351 5.267 -9.238 1.00 0.00 C ATOM 349 C ARG A 23 6.266 5.382 -8.030 1.00 0.00 C ATOM 350 O ARG A 23 7.228 6.145 -8.017 1.00 0.00 O ATOM 351 CB ARG A 23 5.067 6.643 -9.842 1.00 0.00 C ATOM 352 CG ARG A 23 4.222 6.575 -11.101 1.00 0.00 C ATOM 353 CD ARG A 23 4.940 5.819 -12.206 1.00 0.00 C ATOM 354 NE ARG A 23 4.020 5.368 -13.246 1.00 0.00 N ATOM 355 CZ ARG A 23 4.380 4.596 -14.271 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.661 4.303 -14.472 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.462 4.140 -15.114 1.00 0.00 N ATOM 0 H ARG A 23 3.357 5.285 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 23 5.830 4.669 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.558 7.260 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.012 7.135 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.274 6.086 -10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.988 7.584 -11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.702 6.461 -12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.456 4.959 -11.780 1.00 0.00 H new ATOM 0 HE ARG A 23 3.045 5.661 -13.185 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.373 4.669 -13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.932 3.712 -15.258 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.480 4.380 -14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.738 3.549 -15.898 1.00 0.00 H new ATOM 371 N ILE A 24 5.876 4.630 -7.000 1.00 0.00 N ATOM 372 CA ILE A 24 6.622 4.484 -5.749 1.00 0.00 C ATOM 373 C ILE A 24 8.137 4.392 -5.985 1.00 0.00 C ATOM 374 O ILE A 24 8.830 5.408 -5.944 1.00 0.00 O ATOM 375 CB ILE A 24 6.164 3.215 -4.982 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.632 3.115 -4.896 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.752 3.180 -3.586 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.982 4.200 -4.061 1.00 0.00 C ATOM 0 H ILE A 24 5.010 4.091 -7.013 1.00 0.00 H new ATOM 0 HA ILE A 24 6.414 5.377 -5.159 1.00 0.00 H new ATOM 0 HB ILE A 24 6.531 2.359 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.220 3.153 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.366 2.144 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.414 2.280 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.840 3.175 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.425 4.059 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.902 4.055 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.362 4.151 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.214 5.176 -4.488 1.00 0.00 H new ATOM 390 N SER A 25 8.609 3.155 -6.205 1.00 0.00 N ATOM 391 CA SER A 25 10.012 2.827 -6.540 1.00 0.00 C ATOM 392 C SER A 25 10.355 1.387 -6.086 1.00 0.00 C ATOM 393 O SER A 25 10.777 0.570 -6.902 1.00 0.00 O ATOM 394 CB SER A 25 11.028 3.816 -5.936 1.00 0.00 C ATOM 395 OG SER A 25 12.357 3.488 -6.305 1.00 0.00 O ATOM 0 H SER A 25 8.012 2.329 -6.154 1.00 0.00 H new ATOM 0 HA SER A 25 10.092 2.906 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.796 4.827 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.940 3.812 -4.850 1.00 0.00 H new ATOM 0 HG SER A 25 12.945 3.581 -5.527 1.00 0.00 H new ATOM 401 N PRO A 26 10.196 1.075 -4.769 1.00 0.00 N ATOM 402 CA PRO A 26 10.478 -0.266 -4.179 1.00 0.00 C ATOM 403 C PRO A 26 9.745 -1.453 -4.827 1.00 0.00 C ATOM 404 O PRO A 26 9.165 -1.342 -5.903 1.00 0.00 O ATOM 405 CB PRO A 26 9.972 -0.090 -2.748 1.00 0.00 C ATOM 406 CG PRO A 26 10.201 1.338 -2.462 1.00 0.00 C ATOM 407 CD PRO A 26 9.791 2.028 -3.715 1.00 0.00 C ATOM 0 HA PRO A 26 11.530 -0.522 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.917 -0.350 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.515 -0.729 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.610 1.674 -1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.246 1.534 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.718 2.221 -3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.291 2.990 -3.828 1.00 0.00 H new ATOM 415 N GLU A 27 9.748 -2.596 -4.118 1.00 0.00 N ATOM 416 CA GLU A 27 9.089 -3.827 -4.591 1.00 0.00 C ATOM 417 C GLU A 27 7.583 -3.690 -4.513 1.00 0.00 C ATOM 418 O GLU A 27 6.845 -4.629 -4.808 1.00 0.00 O ATOM 419 CB GLU A 27 9.520 -5.057 -3.795 1.00 0.00 C ATOM 420 CG GLU A 27 11.024 -5.211 -3.678 1.00 0.00 C ATOM 421 CD GLU A 27 11.742 -5.026 -5.003 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.773 -5.979 -5.801 1.00 0.00 O ATOM 423 OE2 GLU A 27 12.266 -3.917 -5.253 1.00 0.00 O ATOM 0 H GLU A 27 10.202 -2.693 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 27 9.397 -3.966 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.091 -5.000 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.108 -5.948 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.404 -4.484 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.253 -6.200 -3.281 1.00 0.00 H new ATOM 430 N THR A 28 7.162 -2.528 -4.043 1.00 0.00 N ATOM 431 CA THR A 28 5.769 -2.142 -3.957 1.00 0.00 C ATOM 432 C THR A 28 4.902 -2.726 -5.080 1.00 0.00 C ATOM 433 O THR A 28 3.818 -3.238 -4.808 1.00 0.00 O ATOM 434 CB THR A 28 5.682 -0.603 -3.999 1.00 0.00 C ATOM 435 OG1 THR A 28 4.323 -0.158 -4.057 1.00 0.00 O ATOM 436 CG2 THR A 28 6.438 -0.078 -5.196 1.00 0.00 C ATOM 0 H THR A 28 7.800 -1.809 -3.702 1.00 0.00 H new ATOM 0 HA THR A 28 5.380 -2.543 -3.021 1.00 0.00 H new ATOM 0 HB THR A 28 6.128 -0.217 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.851 -0.442 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.372 1.010 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.484 -0.377 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.004 -0.487 -6.108 1.00 0.00 H new ATOM 444 N ASN A 29 5.376 -2.679 -6.320 1.00 0.00 N ATOM 445 CA ASN A 29 4.563 -3.123 -7.442 1.00 0.00 C ATOM 446 C ASN A 29 4.301 -4.615 -7.329 1.00 0.00 C ATOM 447 O ASN A 29 3.156 -5.038 -7.219 1.00 0.00 O ATOM 448 CB ASN A 29 5.235 -2.806 -8.792 1.00 0.00 C ATOM 449 CG ASN A 29 5.224 -1.326 -9.160 1.00 0.00 C ATOM 450 OD1 ASN A 29 5.340 -0.445 -8.173 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 5.125 -0.976 -10.334 1.00 0.00 N flip ATOM 0 H ASN A 29 6.306 -2.343 -6.570 1.00 0.00 H new ATOM 0 HA ASN A 29 3.618 -2.581 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.267 -3.155 -8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.731 -3.369 -9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.037 -1.677 -11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.131 0.016 -10.573 1.00 0.00 H new ATOM 458 N ALA A 30 5.373 -5.395 -7.316 1.00 0.00 N ATOM 459 CA ALA A 30 5.275 -6.847 -7.240 1.00 0.00 C ATOM 460 C ALA A 30 4.592 -7.295 -5.950 1.00 0.00 C ATOM 461 O ALA A 30 3.639 -8.085 -5.966 1.00 0.00 O ATOM 462 CB ALA A 30 6.666 -7.454 -7.325 1.00 0.00 C ATOM 0 H ALA A 30 6.329 -5.043 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 30 4.667 -7.192 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.593 -8.540 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.130 -7.170 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.274 -7.087 -6.498 1.00 0.00 H new ATOM 468 N ALA A 31 5.082 -6.769 -4.835 1.00 0.00 N ATOM 469 CA ALA A 31 4.618 -7.179 -3.520 1.00 0.00 C ATOM 470 C ALA A 31 3.136 -6.888 -3.332 1.00 0.00 C ATOM 471 O ALA A 31 2.347 -7.810 -3.178 1.00 0.00 O ATOM 472 CB ALA A 31 5.433 -6.499 -2.437 1.00 0.00 C ATOM 0 H ALA A 31 5.807 -6.052 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 31 4.755 -8.258 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.074 -6.816 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.482 -6.774 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.330 -5.418 -2.529 1.00 0.00 H new ATOM 478 N PHE A 32 2.763 -5.610 -3.331 1.00 0.00 N ATOM 479 CA PHE A 32 1.365 -5.216 -3.140 1.00 0.00 C ATOM 480 C PHE A 32 0.463 -5.729 -4.249 1.00 0.00 C ATOM 481 O PHE A 32 -0.742 -5.818 -4.060 1.00 0.00 O ATOM 482 CB PHE A 32 1.250 -3.703 -3.033 1.00 0.00 C ATOM 483 CG PHE A 32 2.232 -3.211 -2.049 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.467 -3.947 -0.917 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.995 -2.108 -2.300 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.439 -3.578 -0.042 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.990 -1.749 -1.434 1.00 0.00 C ATOM 488 CZ PHE A 32 4.211 -2.491 -0.303 1.00 0.00 C ATOM 0 H PHE A 32 3.407 -4.829 -3.460 1.00 0.00 H new ATOM 0 HA PHE A 32 1.030 -5.673 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.429 -3.243 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.241 -3.423 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.875 -4.828 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.812 -1.517 -3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.598 -4.149 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.601 -0.883 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.999 -2.212 0.381 1.00 0.00 H new ATOM 498 N ASP A 33 1.030 -6.055 -5.403 1.00 0.00 N ATOM 499 CA ASP A 33 0.250 -6.667 -6.460 1.00 0.00 C ATOM 500 C ASP A 33 -0.311 -7.962 -5.919 1.00 0.00 C ATOM 501 O ASP A 33 -1.518 -8.141 -5.833 1.00 0.00 O ATOM 502 CB ASP A 33 1.118 -6.938 -7.688 1.00 0.00 C ATOM 503 CG ASP A 33 0.317 -7.463 -8.861 1.00 0.00 C ATOM 504 OD1 ASP A 33 0.054 -8.684 -8.906 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.045 -6.658 -9.746 1.00 0.00 O ATOM 0 H ASP A 33 2.014 -5.907 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.553 -5.998 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.624 -6.018 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.893 -7.660 -7.429 1.00 0.00 H new ATOM 510 N ASN A 34 0.597 -8.822 -5.484 1.00 0.00 N ATOM 511 CA ASN A 34 0.240 -10.085 -4.850 1.00 0.00 C ATOM 512 C ASN A 34 -0.481 -9.847 -3.513 1.00 0.00 C ATOM 513 O ASN A 34 -1.452 -10.527 -3.179 1.00 0.00 O ATOM 514 CB ASN A 34 1.514 -10.901 -4.640 1.00 0.00 C ATOM 515 CG ASN A 34 1.276 -12.236 -3.970 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.256 -12.671 -3.196 1.00 0.00 O flip ATOM 517 ND2 ASN A 34 0.235 -12.866 -4.146 1.00 0.00 N flip ATOM 0 H ASN A 34 1.602 -8.666 -5.560 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.447 -10.634 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.991 -11.069 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.212 -10.320 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.493 -12.489 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.099 -13.766 -3.685 1.00 0.00 H new ATOM 524 N ALA A 35 -0.010 -8.857 -2.768 1.00 0.00 N ATOM 525 CA ALA A 35 -0.546 -8.553 -1.444 1.00 0.00 C ATOM 526 C ALA A 35 -1.994 -8.098 -1.504 1.00 0.00 C ATOM 527 O ALA A 35 -2.893 -8.738 -0.955 1.00 0.00 O ATOM 528 CB ALA A 35 0.293 -7.487 -0.769 1.00 0.00 C ATOM 0 H ALA A 35 0.751 -8.243 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.508 -9.475 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.118 -7.270 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.318 -7.843 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.284 -6.580 -1.373 1.00 0.00 H new ATOM 534 N VAL A 36 -2.219 -6.990 -2.169 1.00 0.00 N ATOM 535 CA VAL A 36 -3.540 -6.423 -2.273 1.00 0.00 C ATOM 536 C VAL A 36 -4.418 -7.321 -3.136 1.00 0.00 C ATOM 537 O VAL A 36 -5.636 -7.208 -3.127 1.00 0.00 O ATOM 538 CB VAL A 36 -3.452 -5.003 -2.843 1.00 0.00 C ATOM 539 CG1 VAL A 36 -4.795 -4.314 -2.750 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.381 -4.201 -2.110 1.00 0.00 C ATOM 0 H VAL A 36 -1.494 -6.459 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.994 -6.359 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.172 -5.066 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.716 -3.307 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.534 -4.879 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.104 -4.259 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.331 -3.195 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.631 -4.143 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.415 -4.691 -2.228 1.00 0.00 H new ATOM 550 N GLN A 37 -3.776 -8.218 -3.869 1.00 0.00 N ATOM 551 CA GLN A 37 -4.459 -9.321 -4.523 1.00 0.00 C ATOM 552 C GLN A 37 -5.137 -10.239 -3.494 1.00 0.00 C ATOM 553 O GLN A 37 -6.281 -10.655 -3.689 1.00 0.00 O ATOM 554 CB GLN A 37 -3.447 -10.087 -5.374 1.00 0.00 C ATOM 555 CG GLN A 37 -3.867 -11.492 -5.763 1.00 0.00 C ATOM 556 CD GLN A 37 -2.961 -12.089 -6.823 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.715 -11.636 -6.864 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -3.385 -12.936 -7.611 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.768 -8.201 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.249 -8.933 -5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.254 -9.517 -6.283 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.505 -10.144 -4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.858 -12.130 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.892 -11.474 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.351 -13.257 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.770 -13.316 -8.330 1.00 0.00 H new ATOM 567 N GLN A 38 -4.434 -10.554 -2.402 1.00 0.00 N ATOM 568 CA GLN A 38 -5.016 -11.366 -1.321 1.00 0.00 C ATOM 569 C GLN A 38 -6.182 -10.645 -0.686 1.00 0.00 C ATOM 570 O GLN A 38 -7.310 -11.130 -0.693 1.00 0.00 O ATOM 571 CB GLN A 38 -4.015 -11.639 -0.203 1.00 0.00 C ATOM 572 CG GLN A 38 -2.597 -11.745 -0.649 1.00 0.00 C ATOM 573 CD GLN A 38 -1.710 -11.509 0.525 1.00 0.00 C ATOM 574 OE1 GLN A 38 -1.243 -12.452 1.146 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.543 -10.231 0.876 1.00 0.00 N ATOM 0 H GLN A 38 -3.470 -10.264 -2.241 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.325 -12.304 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.090 -10.842 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.294 -12.566 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.407 -12.730 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.391 -11.015 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.960 -9.489 0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.999 -9.997 1.706 1.00 0.00 H new ATOM 584 N LEU A 39 -5.883 -9.477 -0.126 1.00 0.00 N ATOM 585 CA LEU A 39 -6.876 -8.689 0.604 1.00 0.00 C ATOM 586 C LEU A 39 -7.969 -8.220 -0.333 1.00 0.00 C ATOM 587 O LEU A 39 -9.072 -7.862 0.086 1.00 0.00 O ATOM 588 CB LEU A 39 -6.227 -7.466 1.253 1.00 0.00 C ATOM 589 CG LEU A 39 -4.755 -7.249 0.908 1.00 0.00 C ATOM 590 CD1 LEU A 39 -4.385 -5.794 1.082 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.860 -8.117 1.781 1.00 0.00 C ATOM 0 H LEU A 39 -4.957 -9.052 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.302 -9.327 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.787 -6.579 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.320 -7.557 2.335 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.606 -7.534 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.333 -5.654 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.999 -5.181 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.555 -5.496 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.817 -7.945 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.016 -7.861 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.106 -9.167 1.623 1.00 0.00 H new ATOM 603 N ASN A 40 -7.602 -8.220 -1.613 1.00 0.00 N ATOM 604 CA ASN A 40 -8.455 -7.813 -2.726 1.00 0.00 C ATOM 605 C ASN A 40 -9.192 -6.524 -2.420 1.00 0.00 C ATOM 606 O ASN A 40 -10.346 -6.336 -2.786 1.00 0.00 O ATOM 607 CB ASN A 40 -9.387 -8.952 -3.150 1.00 0.00 C ATOM 608 CG ASN A 40 -10.516 -9.275 -2.175 1.00 0.00 C ATOM 609 OD1 ASN A 40 -10.368 -10.108 -1.280 1.00 0.00 O ATOM 610 ND2 ASN A 40 -11.664 -8.642 -2.360 1.00 0.00 N ATOM 0 H ASN A 40 -6.672 -8.513 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.818 -7.598 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.825 -8.699 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.789 -9.851 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.459 -8.839 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.754 -7.957 -3.111 1.00 0.00 H new ATOM 617 N CYS A 41 -8.460 -5.617 -1.795 1.00 0.00 N ATOM 618 CA CYS A 41 -8.986 -4.320 -1.377 1.00 0.00 C ATOM 619 C CYS A 41 -9.252 -3.383 -2.557 1.00 0.00 C ATOM 620 O CYS A 41 -9.469 -2.188 -2.353 1.00 0.00 O ATOM 621 CB CYS A 41 -8.001 -3.655 -0.414 1.00 0.00 C ATOM 622 SG CYS A 41 -8.379 -3.893 1.352 1.00 0.00 S ATOM 0 H CYS A 41 -7.477 -5.757 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.941 -4.503 -0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.002 -4.044 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.975 -2.586 -0.624 1.00 0.00 H new ATOM 627 N LEU A 42 -9.205 -3.918 -3.783 1.00 0.00 N ATOM 628 CA LEU A 42 -9.461 -3.151 -5.015 1.00 0.00 C ATOM 629 C LEU A 42 -8.375 -2.106 -5.280 1.00 0.00 C ATOM 630 O LEU A 42 -8.246 -1.603 -6.396 1.00 0.00 O ATOM 631 CB LEU A 42 -10.843 -2.470 -4.991 1.00 0.00 C ATOM 632 CG LEU A 42 -12.064 -3.400 -5.098 1.00 0.00 C ATOM 633 CD1 LEU A 42 -11.855 -4.447 -6.182 1.00 0.00 C ATOM 634 CD2 LEU A 42 -12.380 -4.056 -3.761 1.00 0.00 C ATOM 0 H LEU A 42 -8.987 -4.900 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.445 -3.876 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.927 -1.900 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.886 -1.754 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.923 -2.789 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.732 -5.092 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.706 -3.952 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.977 -5.047 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.248 -4.707 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.524 -4.646 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.595 -3.286 -3.020 1.00 0.00 H new ATOM 646 N ASN A 43 -7.597 -1.793 -4.252 1.00 0.00 N ATOM 647 CA ASN A 43 -6.547 -0.790 -4.336 1.00 0.00 C ATOM 648 C ASN A 43 -5.719 -0.816 -3.059 1.00 0.00 C ATOM 649 O ASN A 43 -6.187 -1.274 -2.012 1.00 0.00 O ATOM 650 CB ASN A 43 -7.140 0.613 -4.576 1.00 0.00 C ATOM 651 CG ASN A 43 -7.879 1.227 -3.385 1.00 0.00 C ATOM 652 OD1 ASN A 43 -7.963 2.443 -3.275 1.00 0.00 O ATOM 653 ND2 ASN A 43 -8.403 0.416 -2.475 1.00 0.00 N ATOM 0 H ASN A 43 -7.678 -2.230 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.903 -1.023 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.332 1.285 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.828 0.558 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.887 0.803 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.322 -0.595 -2.586 1.00 0.00 H new ATOM 660 N ARG A 44 -4.484 -0.343 -3.161 1.00 0.00 N ATOM 661 CA ARG A 44 -3.554 -0.366 -2.040 1.00 0.00 C ATOM 662 C ARG A 44 -4.003 0.544 -0.905 1.00 0.00 C ATOM 663 O ARG A 44 -3.514 0.412 0.210 1.00 0.00 O ATOM 664 CB ARG A 44 -2.160 0.045 -2.491 1.00 0.00 C ATOM 665 CG ARG A 44 -1.504 -0.942 -3.434 1.00 0.00 C ATOM 666 CD ARG A 44 -0.207 -0.378 -3.992 1.00 0.00 C ATOM 667 NE ARG A 44 0.726 0.041 -2.937 1.00 0.00 N ATOM 668 CZ ARG A 44 1.381 1.207 -2.938 1.00 0.00 C ATOM 669 NH1 ARG A 44 1.158 2.096 -3.892 1.00 0.00 N ATOM 670 NH2 ARG A 44 2.246 1.493 -1.975 1.00 0.00 N ATOM 0 H ARG A 44 -4.101 0.064 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.534 -1.391 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.219 1.017 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.527 0.169 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.303 -1.875 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.185 -1.177 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.272 -1.130 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.432 0.474 -4.633 1.00 0.00 H new ATOM 0 HE ARG A 44 0.884 -0.596 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.484 1.893 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.660 2.984 -3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.416 0.822 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.742 2.384 -1.983 1.00 0.00 H new ATOM 684 N ALA A 45 -4.917 1.467 -1.189 1.00 0.00 N ATOM 685 CA ALA A 45 -5.433 2.364 -0.157 1.00 0.00 C ATOM 686 C ALA A 45 -6.099 1.565 0.954 1.00 0.00 C ATOM 687 O ALA A 45 -5.717 1.654 2.114 1.00 0.00 O ATOM 688 CB ALA A 45 -6.406 3.367 -0.754 1.00 0.00 C ATOM 0 H ALA A 45 -5.314 1.614 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.596 2.917 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.778 4.025 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.897 3.960 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.242 2.836 -1.209 1.00 0.00 H new ATOM 694 N CYS A 46 -7.072 0.743 0.580 1.00 0.00 N ATOM 695 CA CYS A 46 -7.734 -0.138 1.535 1.00 0.00 C ATOM 696 C CYS A 46 -6.721 -1.098 2.151 1.00 0.00 C ATOM 697 O CYS A 46 -6.818 -1.456 3.327 1.00 0.00 O ATOM 698 CB CYS A 46 -8.863 -0.913 0.846 1.00 0.00 C ATOM 699 SG CYS A 46 -9.549 -2.293 1.824 1.00 0.00 S ATOM 0 H CYS A 46 -7.420 0.668 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.168 0.466 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.669 -0.219 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.491 -1.306 -0.100 1.00 0.00 H new ATOM 704 N ALA A 47 -5.746 -1.504 1.344 1.00 0.00 N ATOM 705 CA ALA A 47 -4.659 -2.354 1.822 1.00 0.00 C ATOM 706 C ALA A 47 -3.916 -1.703 2.991 1.00 0.00 C ATOM 707 O ALA A 47 -3.884 -2.252 4.096 1.00 0.00 O ATOM 708 CB ALA A 47 -3.695 -2.662 0.687 1.00 0.00 C ATOM 0 H ALA A 47 -5.686 -1.259 0.356 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.094 -3.287 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.889 -3.296 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.227 -3.179 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.277 -1.732 0.302 1.00 0.00 H new ATOM 714 N TYR A 48 -3.331 -0.533 2.747 1.00 0.00 N ATOM 715 CA TYR A 48 -2.589 0.197 3.778 1.00 0.00 C ATOM 716 C TYR A 48 -3.517 0.616 4.911 1.00 0.00 C ATOM 717 O TYR A 48 -3.121 0.623 6.079 1.00 0.00 O ATOM 718 CB TYR A 48 -1.880 1.430 3.190 1.00 0.00 C ATOM 719 CG TYR A 48 -0.596 1.117 2.435 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.616 0.796 1.081 1.00 0.00 C ATOM 721 CD2 TYR A 48 0.643 1.146 3.079 1.00 0.00 C ATOM 722 CE1 TYR A 48 0.550 0.513 0.401 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.812 0.864 2.390 1.00 0.00 C ATOM 724 CZ TYR A 48 1.750 0.549 1.058 1.00 0.00 C ATOM 725 OH TYR A 48 2.902 0.273 0.372 1.00 0.00 O ATOM 0 H TYR A 48 -3.355 -0.066 1.840 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.828 -0.475 4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.567 1.942 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.651 2.123 4.000 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.559 0.768 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.691 1.392 4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.516 0.263 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.764 0.892 2.899 1.00 0.00 H new ATOM 0 HH TYR A 48 2.834 -0.615 -0.038 1.00 0.00 H new ATOM 735 N ARG A 49 -4.755 0.949 4.555 1.00 0.00 N ATOM 736 CA ARG A 49 -5.789 1.265 5.534 1.00 0.00 C ATOM 737 C ARG A 49 -5.914 0.135 6.544 1.00 0.00 C ATOM 738 O ARG A 49 -5.994 0.370 7.748 1.00 0.00 O ATOM 739 CB ARG A 49 -7.127 1.517 4.821 1.00 0.00 C ATOM 740 CG ARG A 49 -8.218 2.129 5.695 1.00 0.00 C ATOM 741 CD ARG A 49 -8.904 1.092 6.573 1.00 0.00 C ATOM 742 NE ARG A 49 -9.473 -0.002 5.786 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.504 -0.746 6.185 1.00 0.00 C ATOM 744 NH1 ARG A 49 -11.090 -0.504 7.348 1.00 0.00 N ATOM 745 NH2 ARG A 49 -10.954 -1.735 5.419 1.00 0.00 N ATOM 0 H ARG A 49 -5.067 1.007 3.586 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.511 2.172 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.950 2.177 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.492 0.571 4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.783 2.905 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.960 2.613 5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.186 0.689 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.694 1.572 7.151 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.056 -0.207 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.752 0.254 7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.879 -1.075 7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.510 -1.927 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.743 -2.302 5.729 1.00 0.00 H new ATOM 759 N LYS A 50 -5.889 -1.103 6.079 1.00 0.00 N ATOM 760 CA LYS A 50 -6.092 -2.194 6.993 1.00 0.00 C ATOM 761 C LYS A 50 -4.783 -2.548 7.676 1.00 0.00 C ATOM 762 O LYS A 50 -4.788 -3.049 8.792 1.00 0.00 O ATOM 763 CB LYS A 50 -6.727 -3.412 6.314 1.00 0.00 C ATOM 764 CG LYS A 50 -7.333 -4.393 7.312 1.00 0.00 C ATOM 765 CD LYS A 50 -8.121 -5.495 6.625 1.00 0.00 C ATOM 766 CE LYS A 50 -8.603 -6.534 7.627 1.00 0.00 C ATOM 767 NZ LYS A 50 -9.287 -7.683 6.972 1.00 0.00 N ATOM 0 H LYS A 50 -5.735 -1.365 5.105 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.803 -1.869 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.502 -3.076 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.972 -3.926 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.538 -4.836 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.987 -3.854 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.976 -5.064 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.498 -5.975 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.753 -6.901 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.286 -6.063 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.596 -8.362 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.115 -7.339 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.629 -8.151 6.317 1.00 0.00 H new ATOM 781 N MET A 51 -3.659 -2.276 7.010 1.00 0.00 N ATOM 782 CA MET A 51 -2.356 -2.338 7.671 1.00 0.00 C ATOM 783 C MET A 51 -2.357 -1.456 8.915 1.00 0.00 C ATOM 784 O MET A 51 -1.931 -1.876 9.990 1.00 0.00 O ATOM 785 CB MET A 51 -1.242 -1.872 6.731 1.00 0.00 C ATOM 786 CG MET A 51 0.144 -1.899 7.364 1.00 0.00 C ATOM 787 SD MET A 51 1.432 -1.335 6.235 1.00 0.00 S ATOM 788 CE MET A 51 2.896 -1.572 7.241 1.00 0.00 C ATOM 0 H MET A 51 -3.625 -2.014 6.025 1.00 0.00 H new ATOM 0 HA MET A 51 -2.173 -3.375 7.952 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.239 -2.505 5.844 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.460 -0.857 6.398 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.145 -1.270 8.254 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.371 -2.914 7.690 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.778 -1.266 6.678 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.817 -0.970 8.146 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.985 -2.624 7.512 1.00 0.00 H new ATOM 798 N CYS A 52 -2.848 -0.237 8.748 1.00 0.00 N ATOM 799 CA CYS A 52 -2.950 0.721 9.841 1.00 0.00 C ATOM 800 C CYS A 52 -3.938 0.240 10.899 1.00 0.00 C ATOM 801 O CYS A 52 -3.741 0.465 12.093 1.00 0.00 O ATOM 802 CB CYS A 52 -3.357 2.090 9.278 1.00 0.00 C ATOM 803 SG CYS A 52 -4.682 2.956 10.189 1.00 0.00 S ATOM 0 H CYS A 52 -3.187 0.116 7.853 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.980 0.814 10.328 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.476 2.731 9.258 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.678 1.957 8.245 1.00 0.00 H new ATOM 808 N ALA A 53 -4.997 -0.426 10.457 1.00 0.00 N ATOM 809 CA ALA A 53 -5.995 -0.962 11.373 1.00 0.00 C ATOM 810 C ALA A 53 -5.454 -2.158 12.158 1.00 0.00 C ATOM 811 O ALA A 53 -5.319 -2.099 13.381 1.00 0.00 O ATOM 812 CB ALA A 53 -7.255 -1.349 10.614 1.00 0.00 C ATOM 0 H ALA A 53 -5.187 -0.608 9.471 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.241 -0.180 12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.992 -1.748 11.311 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.665 -0.470 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.013 -2.107 9.869 1.00 0.00 H new ATOM 818 N THR A 54 -5.134 -3.237 11.452 1.00 0.00 N ATOM 819 CA THR A 54 -4.704 -4.469 12.100 1.00 0.00 C ATOM 820 C THR A 54 -3.961 -5.382 11.114 1.00 0.00 C ATOM 821 O THR A 54 -4.025 -6.614 11.213 1.00 0.00 O ATOM 822 CB THR A 54 -5.919 -5.214 12.715 1.00 0.00 C ATOM 823 OG1 THR A 54 -5.495 -6.409 13.384 1.00 0.00 O ATOM 824 CG2 THR A 54 -6.948 -5.564 11.646 1.00 0.00 C ATOM 0 H THR A 54 -5.164 -3.283 10.433 1.00 0.00 H new ATOM 0 HA THR A 54 -4.015 -4.203 12.902 1.00 0.00 H new ATOM 0 HB THR A 54 -6.382 -4.544 13.439 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.908 -6.924 12.792 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.788 -6.085 12.106 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.304 -4.650 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.489 -6.208 10.896 1.00 0.00 H new ATOM 832 N ASN A 55 -3.244 -4.760 10.172 1.00 0.00 N ATOM 833 CA ASN A 55 -2.498 -5.472 9.136 1.00 0.00 C ATOM 834 C ASN A 55 -3.455 -6.148 8.155 1.00 0.00 C ATOM 835 O ASN A 55 -4.658 -6.214 8.404 1.00 0.00 O ATOM 836 CB ASN A 55 -1.527 -6.488 9.753 1.00 0.00 C ATOM 837 CG ASN A 55 -0.494 -5.840 10.663 1.00 0.00 C ATOM 838 OD1 ASN A 55 0.683 -5.552 10.124 1.00 0.00 O flip ATOM 839 ND2 ASN A 55 -0.745 -5.611 11.845 1.00 0.00 N flip ATOM 0 H ASN A 55 -3.166 -3.745 10.109 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.904 -4.744 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.093 -7.226 10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.015 -7.025 8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.661 -5.846 12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.037 -5.186 12.444 1.00 0.00 H new ATOM 846 N ASN A 56 -2.914 -6.667 7.053 1.00 0.00 N ATOM 847 CA ASN A 56 -3.725 -7.108 5.931 1.00 0.00 C ATOM 848 C ASN A 56 -2.827 -7.352 4.741 1.00 0.00 C ATOM 849 O ASN A 56 -2.494 -8.491 4.421 1.00 0.00 O ATOM 850 CB ASN A 56 -4.772 -6.055 5.551 1.00 0.00 C ATOM 851 CG ASN A 56 -5.710 -6.521 4.465 1.00 0.00 C ATOM 852 OD1 ASN A 56 -5.914 -7.716 4.276 1.00 0.00 O ATOM 853 ND2 ASN A 56 -6.308 -5.573 3.760 1.00 0.00 N ATOM 0 H ASN A 56 -1.911 -6.791 6.918 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.243 -8.022 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.352 -5.791 6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.264 -5.149 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.969 -5.824 3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.108 -4.591 3.952 1.00 0.00 H new ATOM 860 N LEU A 57 -2.402 -6.254 4.115 1.00 0.00 N ATOM 861 CA LEU A 57 -1.562 -6.311 2.927 1.00 0.00 C ATOM 862 C LEU A 57 -0.290 -7.088 3.177 1.00 0.00 C ATOM 863 O LEU A 57 0.210 -7.782 2.291 1.00 0.00 O ATOM 864 CB LEU A 57 -1.240 -4.902 2.407 1.00 0.00 C ATOM 865 CG LEU A 57 -1.115 -3.766 3.440 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.185 -4.127 4.584 1.00 0.00 C ATOM 867 CD2 LEU A 57 -0.609 -2.509 2.753 1.00 0.00 C ATOM 0 H LEU A 57 -2.631 -5.307 4.418 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.128 -6.839 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.303 -4.956 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.016 -4.623 1.694 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.105 -3.597 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.130 -3.294 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.566 -5.010 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.810 -4.337 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.521 -1.705 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.367 -2.705 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.310 -2.214 1.972 1.00 0.00 H new ATOM 879 N GLU A 58 0.174 -7.024 4.411 1.00 0.00 N ATOM 880 CA GLU A 58 1.461 -7.586 4.786 1.00 0.00 C ATOM 881 C GLU A 58 1.472 -9.094 4.650 1.00 0.00 C ATOM 882 O GLU A 58 2.514 -9.715 4.742 1.00 0.00 O ATOM 883 CB GLU A 58 1.893 -7.146 6.198 1.00 0.00 C ATOM 884 CG GLU A 58 0.802 -7.154 7.261 1.00 0.00 C ATOM 885 CD GLU A 58 0.201 -8.519 7.500 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.822 -9.332 8.211 1.00 0.00 O ATOM 887 OE2 GLU A 58 -0.905 -8.769 6.994 1.00 0.00 O ATOM 0 H GLU A 58 -0.328 -6.582 5.181 1.00 0.00 H new ATOM 0 HA GLU A 58 2.196 -7.188 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.701 -7.798 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.303 -6.138 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.216 -6.779 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.011 -6.465 6.964 1.00 0.00 H new ATOM 894 N GLN A 59 0.316 -9.672 4.409 1.00 0.00 N ATOM 895 CA GLN A 59 0.228 -11.090 4.165 1.00 0.00 C ATOM 896 C GLN A 59 1.244 -11.501 3.063 1.00 0.00 C ATOM 897 O GLN A 59 2.289 -12.093 3.353 1.00 0.00 O ATOM 898 CB GLN A 59 -1.218 -11.426 3.813 1.00 0.00 C ATOM 899 CG GLN A 59 -1.702 -12.784 4.324 1.00 0.00 C ATOM 900 CD GLN A 59 -0.740 -13.925 4.050 1.00 0.00 C ATOM 901 OE1 GLN A 59 0.132 -14.224 4.866 1.00 0.00 O ATOM 902 NE2 GLN A 59 -0.893 -14.568 2.906 1.00 0.00 N ATOM 0 H GLN A 59 -0.576 -9.179 4.377 1.00 0.00 H new ATOM 0 HA GLN A 59 0.496 -11.664 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.866 -10.649 4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.329 -11.401 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.873 -12.717 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.662 -13.013 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.629 -14.288 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.275 -15.345 2.671 1.00 0.00 H new ATOM 911 N ALA A 60 1.017 -11.065 1.831 1.00 0.00 N ATOM 912 CA ALA A 60 1.884 -11.445 0.717 1.00 0.00 C ATOM 913 C ALA A 60 3.063 -10.512 0.594 1.00 0.00 C ATOM 914 O ALA A 60 4.198 -10.962 0.545 1.00 0.00 O ATOM 915 CB ALA A 60 1.126 -11.460 -0.590 1.00 0.00 C ATOM 0 H ALA A 60 0.244 -10.450 1.576 1.00 0.00 H new ATOM 0 HA ALA A 60 2.247 -12.450 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.799 -11.746 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.308 -12.178 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.723 -10.467 -0.788 1.00 0.00 H new ATOM 921 N MET A 61 2.786 -9.213 0.489 1.00 0.00 N ATOM 922 CA MET A 61 3.849 -8.211 0.451 1.00 0.00 C ATOM 923 C MET A 61 4.934 -8.490 1.500 1.00 0.00 C ATOM 924 O MET A 61 6.113 -8.468 1.166 1.00 0.00 O ATOM 925 CB MET A 61 3.284 -6.802 0.655 1.00 0.00 C ATOM 926 CG MET A 61 2.805 -6.540 2.069 1.00 0.00 C ATOM 927 SD MET A 61 2.406 -4.819 2.419 1.00 0.00 S ATOM 928 CE MET A 61 3.099 -4.632 4.061 1.00 0.00 C ATOM 0 H MET A 61 1.842 -8.832 0.429 1.00 0.00 H new ATOM 0 HA MET A 61 4.305 -8.272 -0.537 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.051 -6.071 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.454 -6.649 -0.035 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.921 -7.150 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.575 -6.870 2.766 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.354 -3.586 4.231 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.368 -4.953 4.803 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.997 -5.243 4.149 1.00 0.00 H new ATOM 938 N SER A 62 4.557 -8.785 2.753 1.00 0.00 N ATOM 939 CA SER A 62 5.577 -8.988 3.791 1.00 0.00 C ATOM 940 C SER A 62 6.206 -10.381 3.667 1.00 0.00 C ATOM 941 O SER A 62 7.356 -10.580 4.064 1.00 0.00 O ATOM 942 CB SER A 62 5.016 -8.768 5.197 1.00 0.00 C ATOM 943 OG SER A 62 6.012 -8.923 6.191 1.00 0.00 O ATOM 0 H SER A 62 3.591 -8.885 3.064 1.00 0.00 H new ATOM 0 HA SER A 62 6.354 -8.240 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.587 -7.768 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.207 -9.475 5.380 1.00 0.00 H new ATOM 0 HG SER A 62 5.617 -8.774 7.076 1.00 0.00 H new ATOM 949 N VAL A 63 5.456 -11.356 3.133 1.00 0.00 N ATOM 950 CA VAL A 63 6.067 -12.629 2.741 1.00 0.00 C ATOM 951 C VAL A 63 7.092 -12.413 1.613 1.00 0.00 C ATOM 952 O VAL A 63 8.100 -13.115 1.528 1.00 0.00 O ATOM 953 CB VAL A 63 4.992 -13.665 2.308 1.00 0.00 C ATOM 954 CG1 VAL A 63 5.588 -14.776 1.454 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.318 -14.263 3.535 1.00 0.00 C ATOM 0 H VAL A 63 4.452 -11.290 2.967 1.00 0.00 H new ATOM 0 HA VAL A 63 6.585 -13.030 3.612 1.00 0.00 H new ATOM 0 HB VAL A 63 4.253 -13.139 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.804 -15.479 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.030 -14.346 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.357 -15.299 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.567 -14.987 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.065 -14.760 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.839 -13.470 4.110 1.00 0.00 H new ATOM 965 N TYR A 64 6.837 -11.420 0.768 1.00 0.00 N ATOM 966 CA TYR A 64 7.698 -11.118 -0.374 1.00 0.00 C ATOM 967 C TYR A 64 8.904 -10.257 0.016 1.00 0.00 C ATOM 968 O TYR A 64 10.049 -10.702 -0.078 1.00 0.00 O ATOM 969 CB TYR A 64 6.881 -10.416 -1.463 1.00 0.00 C ATOM 970 CG TYR A 64 6.365 -11.341 -2.544 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.854 -12.597 -2.236 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.394 -10.955 -3.879 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.390 -13.439 -3.230 1.00 0.00 C ATOM 974 CE2 TYR A 64 5.932 -11.792 -4.875 1.00 0.00 C ATOM 975 CZ TYR A 64 5.430 -13.031 -4.546 1.00 0.00 C ATOM 976 OH TYR A 64 4.969 -13.865 -5.539 1.00 0.00 O ATOM 0 H TYR A 64 6.030 -10.802 0.853 1.00 0.00 H new ATOM 0 HA TYR A 64 8.088 -12.063 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.034 -9.911 -0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.498 -9.645 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.819 -12.920 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.785 -9.983 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.998 -14.413 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.964 -11.476 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 64 5.068 -13.424 -6.409 1.00 0.00 H new ATOM 986 N PHE A 65 8.652 -9.025 0.440 1.00 0.00 N ATOM 987 CA PHE A 65 9.731 -8.102 0.777 1.00 0.00 C ATOM 988 C PHE A 65 10.071 -8.198 2.260 1.00 0.00 C ATOM 989 O PHE A 65 9.443 -8.954 3.002 1.00 0.00 O ATOM 990 CB PHE A 65 9.359 -6.652 0.384 1.00 0.00 C ATOM 991 CG PHE A 65 8.094 -6.128 0.984 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.864 -6.195 2.349 1.00 0.00 C ATOM 993 CD2 PHE A 65 7.139 -5.550 0.178 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.705 -5.700 2.891 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.979 -5.049 0.716 1.00 0.00 C ATOM 996 CZ PHE A 65 5.763 -5.123 2.073 1.00 0.00 C ATOM 0 H PHE A 65 7.714 -8.642 0.559 1.00 0.00 H new ATOM 0 HA PHE A 65 10.616 -8.384 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.178 -5.994 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.276 -6.598 -0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.606 -6.642 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.304 -5.490 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.534 -5.763 3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.237 -4.597 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.852 -4.727 2.496 1.00 0.00 H new ATOM 1006 N THR A 66 11.060 -7.434 2.687 1.00 0.00 N ATOM 1007 CA THR A 66 11.441 -7.404 4.085 1.00 0.00 C ATOM 1008 C THR A 66 10.855 -6.179 4.789 1.00 0.00 C ATOM 1009 O THR A 66 10.297 -5.295 4.133 1.00 0.00 O ATOM 1010 CB THR A 66 12.970 -7.425 4.235 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.564 -6.543 3.270 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.515 -8.833 4.047 1.00 0.00 C ATOM 0 H THR A 66 11.614 -6.826 2.084 1.00 0.00 H new ATOM 0 HA THR A 66 11.034 -8.297 4.559 1.00 0.00 H new ATOM 0 HB THR A 66 13.222 -7.090 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.539 -6.558 3.370 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.599 -8.821 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.081 -9.494 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.256 -9.193 3.051 1.00 0.00 H new ATOM 1020 N ASN A 67 10.981 -6.111 6.108 1.00 0.00 N ATOM 1021 CA ASN A 67 10.361 -5.028 6.869 1.00 0.00 C ATOM 1022 C ASN A 67 10.991 -3.678 6.521 1.00 0.00 C ATOM 1023 O ASN A 67 10.302 -2.657 6.466 1.00 0.00 O ATOM 1024 CB ASN A 67 10.434 -5.305 8.378 1.00 0.00 C ATOM 1025 CG ASN A 67 11.850 -5.351 8.919 1.00 0.00 C ATOM 1026 OD1 ASN A 67 12.499 -6.396 8.894 1.00 0.00 O ATOM 1027 ND2 ASN A 67 12.325 -4.233 9.444 1.00 0.00 N ATOM 0 H ASN A 67 11.501 -6.784 6.671 1.00 0.00 H new ATOM 0 HA ASN A 67 9.308 -4.982 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.876 -4.533 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.942 -6.255 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.262 -4.217 9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.755 -3.387 9.445 1.00 0.00 H new ATOM 1034 N GLU A 68 12.292 -3.678 6.249 1.00 0.00 N ATOM 1035 CA GLU A 68 12.983 -2.463 5.830 1.00 0.00 C ATOM 1036 C GLU A 68 12.431 -1.988 4.486 1.00 0.00 C ATOM 1037 O GLU A 68 12.261 -0.793 4.249 1.00 0.00 O ATOM 1038 CB GLU A 68 14.491 -2.724 5.729 1.00 0.00 C ATOM 1039 CG GLU A 68 14.860 -3.756 4.675 1.00 0.00 C ATOM 1040 CD GLU A 68 16.266 -4.289 4.833 1.00 0.00 C ATOM 1041 OE1 GLU A 68 17.208 -3.667 4.305 1.00 0.00 O ATOM 1042 OE2 GLU A 68 16.428 -5.356 5.468 1.00 0.00 O ATOM 0 H GLU A 68 12.888 -4.503 6.311 1.00 0.00 H new ATOM 0 HA GLU A 68 12.815 -1.682 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.999 -1.787 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.859 -3.059 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.155 -4.586 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.756 -3.310 3.686 1.00 0.00 H new ATOM 1049 N GLN A 69 12.108 -2.952 3.632 1.00 0.00 N ATOM 1050 CA GLN A 69 11.620 -2.674 2.292 1.00 0.00 C ATOM 1051 C GLN A 69 10.285 -1.945 2.347 1.00 0.00 C ATOM 1052 O GLN A 69 10.019 -1.049 1.550 1.00 0.00 O ATOM 1053 CB GLN A 69 11.466 -3.988 1.528 1.00 0.00 C ATOM 1054 CG GLN A 69 12.024 -3.959 0.114 1.00 0.00 C ATOM 1055 CD GLN A 69 11.110 -3.245 -0.858 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.559 -2.633 -1.821 1.00 0.00 O ATOM 1057 NE2 GLN A 69 9.813 -3.342 -0.629 1.00 0.00 N ATOM 0 H GLN A 69 12.178 -3.946 3.851 1.00 0.00 H new ATOM 0 HA GLN A 69 12.338 -2.034 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.965 -4.780 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.408 -4.247 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.996 -3.467 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.187 -4.981 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.476 -3.860 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.149 -2.899 -1.264 1.00 0.00 H new ATOM 1066 N ILE A 70 9.446 -2.327 3.295 1.00 0.00 N ATOM 1067 CA ILE A 70 8.133 -1.727 3.405 1.00 0.00 C ATOM 1068 C ILE A 70 8.168 -0.448 4.250 1.00 0.00 C ATOM 1069 O ILE A 70 7.262 0.379 4.171 1.00 0.00 O ATOM 1070 CB ILE A 70 7.074 -2.740 3.911 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.678 -2.118 3.889 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.405 -3.286 5.289 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.357 -1.452 2.571 1.00 0.00 C ATOM 0 H ILE A 70 9.650 -3.043 3.992 1.00 0.00 H new ATOM 0 HA ILE A 70 7.824 -1.434 2.401 1.00 0.00 H new ATOM 0 HB ILE A 70 7.089 -3.588 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.937 -2.891 4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.599 -1.384 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.632 -3.991 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.368 -3.795 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.452 -2.465 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.354 -1.028 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.079 -0.658 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.406 -2.189 1.769 1.00 0.00 H new ATOM 1085 N LYS A 71 9.225 -0.255 5.029 1.00 0.00 N ATOM 1086 CA LYS A 71 9.480 1.061 5.605 1.00 0.00 C ATOM 1087 C LYS A 71 9.794 2.033 4.481 1.00 0.00 C ATOM 1088 O LYS A 71 9.345 3.188 4.472 1.00 0.00 O ATOM 1089 CB LYS A 71 10.642 1.025 6.592 1.00 0.00 C ATOM 1090 CG LYS A 71 10.300 0.358 7.914 1.00 0.00 C ATOM 1091 CD LYS A 71 11.493 0.338 8.853 1.00 0.00 C ATOM 1092 CE LYS A 71 11.101 -0.138 10.243 1.00 0.00 C ATOM 1093 NZ LYS A 71 10.289 0.871 10.978 1.00 0.00 N ATOM 0 H LYS A 71 9.906 -0.974 5.273 1.00 0.00 H new ATOM 0 HA LYS A 71 8.592 1.380 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.479 0.498 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.975 2.045 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.473 0.888 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.962 -0.662 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.265 -0.316 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.923 1.337 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.535 -1.066 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.001 -0.363 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.203 0.588 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.754 1.800 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.342 0.931 10.553 1.00 0.00 H new ATOM 1107 N GLU A 72 10.553 1.534 3.517 1.00 0.00 N ATOM 1108 CA GLU A 72 10.875 2.295 2.330 1.00 0.00 C ATOM 1109 C GLU A 72 9.610 2.634 1.556 1.00 0.00 C ATOM 1110 O GLU A 72 9.384 3.789 1.221 1.00 0.00 O ATOM 1111 CB GLU A 72 11.858 1.532 1.453 1.00 0.00 C ATOM 1112 CG GLU A 72 12.368 2.336 0.273 1.00 0.00 C ATOM 1113 CD GLU A 72 13.435 1.613 -0.514 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.089 0.755 -1.345 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.630 1.915 -0.322 1.00 0.00 O ATOM 0 H GLU A 72 10.958 0.598 3.539 1.00 0.00 H new ATOM 0 HA GLU A 72 11.349 3.228 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.706 1.217 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.376 0.627 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.533 2.572 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.768 3.284 0.632 1.00 0.00 H new ATOM 1122 N ILE A 73 8.769 1.631 1.302 1.00 0.00 N ATOM 1123 CA ILE A 73 7.510 1.865 0.594 1.00 0.00 C ATOM 1124 C ILE A 73 6.554 2.679 1.454 1.00 0.00 C ATOM 1125 O ILE A 73 5.619 3.273 0.947 1.00 0.00 O ATOM 1126 CB ILE A 73 6.789 0.568 0.164 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.752 -0.396 -0.477 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.677 0.898 -0.819 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.217 -1.793 -0.643 1.00 0.00 C ATOM 0 H ILE A 73 8.933 0.661 1.572 1.00 0.00 H new ATOM 0 HA ILE A 73 7.785 2.410 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 73 6.369 0.101 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.035 -0.010 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.660 -0.437 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.172 -0.020 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.960 1.568 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.101 1.383 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.975 -2.420 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.961 -2.203 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.327 -1.769 -1.271 1.00 0.00 H new ATOM 1141 N HIS A 74 6.784 2.698 2.755 1.00 0.00 N ATOM 1142 CA HIS A 74 5.964 3.501 3.647 1.00 0.00 C ATOM 1143 C HIS A 74 6.142 4.967 3.289 1.00 0.00 C ATOM 1144 O HIS A 74 5.190 5.644 2.887 1.00 0.00 O ATOM 1145 CB HIS A 74 6.351 3.265 5.110 1.00 0.00 C ATOM 1146 CG HIS A 74 5.342 3.767 6.095 1.00 0.00 C ATOM 1147 ND1 HIS A 74 5.196 5.096 6.424 1.00 0.00 N ATOM 1148 CD2 HIS A 74 4.424 3.098 6.830 1.00 0.00 C ATOM 1149 CE1 HIS A 74 4.238 5.221 7.321 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.749 4.022 7.588 1.00 0.00 N ATOM 0 H HIS A 74 7.526 2.171 3.216 1.00 0.00 H new ATOM 0 HA HIS A 74 4.920 3.212 3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.498 2.197 5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.307 3.751 5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.253 2.032 6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.908 6.149 7.764 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.997 3.818 8.246 1.00 0.00 H new ATOM 1159 N ASP A 75 7.380 5.442 3.385 1.00 0.00 N ATOM 1160 CA ASP A 75 7.674 6.824 3.034 1.00 0.00 C ATOM 1161 C ASP A 75 7.410 7.027 1.553 1.00 0.00 C ATOM 1162 O ASP A 75 6.879 8.056 1.129 1.00 0.00 O ATOM 1163 CB ASP A 75 9.123 7.183 3.373 1.00 0.00 C ATOM 1164 CG ASP A 75 9.345 8.680 3.347 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.809 9.376 4.240 1.00 0.00 O ATOM 1166 OD2 ASP A 75 10.041 9.168 2.441 1.00 0.00 O ATOM 0 H ASP A 75 8.184 4.898 3.698 1.00 0.00 H new ATOM 0 HA ASP A 75 7.028 7.482 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.374 6.794 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.794 6.702 2.661 1.00 0.00 H new ATOM 1171 N ALA A 76 7.744 5.999 0.783 1.00 0.00 N ATOM 1172 CA ALA A 76 7.537 5.995 -0.653 1.00 0.00 C ATOM 1173 C ALA A 76 6.083 6.200 -1.015 1.00 0.00 C ATOM 1174 O ALA A 76 5.759 6.988 -1.879 1.00 0.00 O ATOM 1175 CB ALA A 76 8.026 4.690 -1.238 1.00 0.00 C ATOM 0 H ALA A 76 8.167 5.143 1.142 1.00 0.00 H new ATOM 0 HA ALA A 76 8.105 6.827 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.868 4.693 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.089 4.572 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.474 3.862 -0.793 1.00 0.00 H new ATOM 1181 N ALA A 77 5.209 5.479 -0.362 1.00 0.00 N ATOM 1182 CA ALA A 77 3.795 5.565 -0.665 1.00 0.00 C ATOM 1183 C ALA A 77 3.136 6.729 0.070 1.00 0.00 C ATOM 1184 O ALA A 77 1.958 7.008 -0.137 1.00 0.00 O ATOM 1185 CB ALA A 77 3.111 4.247 -0.348 1.00 0.00 C ATOM 0 H ALA A 77 5.446 4.825 0.384 1.00 0.00 H new ATOM 0 HA ALA A 77 3.684 5.760 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.049 4.323 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.557 3.453 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.236 4.018 0.710 1.00 0.00 H new ATOM 1191 N THR A 78 3.893 7.408 0.928 1.00 0.00 N ATOM 1192 CA THR A 78 3.377 8.591 1.601 1.00 0.00 C ATOM 1193 C THR A 78 3.701 9.855 0.801 1.00 0.00 C ATOM 1194 O THR A 78 2.811 10.647 0.481 1.00 0.00 O ATOM 1195 CB THR A 78 3.938 8.716 3.033 1.00 0.00 C ATOM 1196 OG1 THR A 78 3.595 7.549 3.790 1.00 0.00 O ATOM 1197 CG2 THR A 78 3.390 9.951 3.736 1.00 0.00 C ATOM 0 H THR A 78 4.853 7.162 1.170 1.00 0.00 H new ATOM 0 HA THR A 78 2.295 8.481 1.667 1.00 0.00 H new ATOM 0 HB THR A 78 5.022 8.811 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.981 6.756 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.804 10.011 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.669 10.843 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.304 9.885 3.794 1.00 0.00 H new ATOM 1205 N ALA A 79 4.976 10.038 0.477 1.00 0.00 N ATOM 1206 CA ALA A 79 5.419 11.218 -0.257 1.00 0.00 C ATOM 1207 C ALA A 79 5.545 10.927 -1.739 1.00 0.00 C ATOM 1208 O ALA A 79 5.845 11.818 -2.533 1.00 0.00 O ATOM 1209 CB ALA A 79 6.751 11.707 0.277 1.00 0.00 C ATOM 0 H ALA A 79 5.722 9.383 0.711 1.00 0.00 H new ATOM 0 HA ALA A 79 4.666 11.994 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.066 12.588 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.648 11.964 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.498 10.921 0.167 1.00 0.00 H new ATOM 1215 N CYS A 80 5.331 9.662 -2.091 1.00 0.00 N ATOM 1216 CA CYS A 80 5.575 9.158 -3.437 1.00 0.00 C ATOM 1217 C CYS A 80 7.069 9.210 -3.688 1.00 0.00 C ATOM 1218 O CYS A 80 7.550 9.431 -4.801 1.00 0.00 O ATOM 1219 CB CYS A 80 4.784 9.922 -4.492 1.00 0.00 C ATOM 1220 SG CYS A 80 3.141 10.481 -3.929 1.00 0.00 S ATOM 0 H CYS A 80 4.981 8.954 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 80 5.225 8.128 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.363 10.790 -4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.659 9.286 -5.369 1.00 0.00 H new ATOM 1225 N ASP A 81 7.781 8.985 -2.597 1.00 0.00 N ATOM 1226 CA ASP A 81 9.222 9.089 -2.533 1.00 0.00 C ATOM 1227 C ASP A 81 9.704 8.173 -1.434 1.00 0.00 C ATOM 1228 O ASP A 81 9.381 8.405 -0.279 1.00 0.00 O ATOM 1229 CB ASP A 81 9.610 10.508 -2.147 1.00 0.00 C ATOM 1230 CG ASP A 81 11.073 10.823 -2.383 1.00 0.00 C ATOM 1231 OD1 ASP A 81 11.915 9.907 -2.297 1.00 0.00 O ATOM 1232 OD2 ASP A 81 11.382 11.999 -2.675 1.00 0.00 O ATOM 0 H ASP A 81 7.357 8.718 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 81 9.656 8.827 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.000 11.210 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.379 10.665 -1.093 1.00 0.00 H new ATOM 1237 N PRO A 82 10.453 7.117 -1.745 1.00 0.00 N ATOM 1238 CA PRO A 82 10.960 6.205 -0.720 1.00 0.00 C ATOM 1239 C PRO A 82 12.110 6.828 0.077 1.00 0.00 C ATOM 1240 O PRO A 82 13.079 6.149 0.427 1.00 0.00 O ATOM 1241 CB PRO A 82 11.435 4.983 -1.526 1.00 0.00 C ATOM 1242 CG PRO A 82 11.011 5.228 -2.934 1.00 0.00 C ATOM 1243 CD PRO A 82 10.864 6.707 -3.090 1.00 0.00 C ATOM 0 HA PRO A 82 10.205 5.955 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.517 4.868 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.992 4.065 -1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.750 4.837 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.070 4.721 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.798 7.180 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.118 6.966 -3.841 1.00 0.00 H new ATOM 1251 N GLU A 83 11.967 8.121 0.375 1.00 0.00 N ATOM 1252 CA GLU A 83 13.023 8.937 0.963 1.00 0.00 C ATOM 1253 C GLU A 83 14.298 8.791 0.139 1.00 0.00 C ATOM 1254 O GLU A 83 15.402 8.725 0.675 1.00 0.00 O ATOM 1255 CB GLU A 83 13.252 8.555 2.431 1.00 0.00 C ATOM 1256 CG GLU A 83 14.126 9.536 3.202 1.00 0.00 C ATOM 1257 CD GLU A 83 13.608 10.958 3.148 1.00 0.00 C ATOM 1258 OE1 GLU A 83 12.637 11.269 3.866 1.00 0.00 O ATOM 1259 OE2 GLU A 83 14.177 11.773 2.392 1.00 0.00 O ATOM 0 H GLU A 83 11.101 8.635 0.211 1.00 0.00 H new ATOM 0 HA GLU A 83 12.721 9.984 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.286 8.477 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.712 7.567 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.190 9.217 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.138 9.508 2.798 1.00 0.00 H new ATOM 1266 N ALA A 84 14.122 8.732 -1.180 1.00 0.00 N ATOM 1267 CA ALA A 84 15.225 8.499 -2.104 1.00 0.00 C ATOM 1268 C ALA A 84 15.978 7.218 -1.742 1.00 0.00 C ATOM 1269 O ALA A 84 17.207 7.162 -1.809 1.00 0.00 O ATOM 1270 CB ALA A 84 16.153 9.700 -2.116 1.00 0.00 C ATOM 0 H ALA A 84 13.215 8.844 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 84 14.821 8.367 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.975 9.518 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.600 10.584 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 84 16.552 9.862 -1.115 1.00 0.00 H new ATOM 1276 N HIS A 85 15.213 6.193 -1.364 1.00 0.00 N ATOM 1277 CA HIS A 85 15.757 4.913 -0.911 1.00 0.00 C ATOM 1278 C HIS A 85 16.534 5.086 0.388 1.00 0.00 C ATOM 1279 O HIS A 85 17.703 4.713 0.486 1.00 0.00 O ATOM 1280 CB HIS A 85 16.639 4.257 -1.982 1.00 0.00 C ATOM 1281 CG HIS A 85 15.865 3.636 -3.101 1.00 0.00 C ATOM 1282 ND1 HIS A 85 15.119 2.488 -2.948 1.00 0.00 N ATOM 1283 CD2 HIS A 85 15.720 4.006 -4.394 1.00 0.00 C ATOM 1284 CE1 HIS A 85 14.549 2.179 -4.097 1.00 0.00 C ATOM 1285 NE2 HIS A 85 14.897 3.085 -4.992 1.00 0.00 N ATOM 0 H HIS A 85 14.194 6.228 -1.364 1.00 0.00 H new ATOM 0 HA HIS A 85 14.913 4.248 -0.728 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.315 5.007 -2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 85 17.258 3.493 -1.512 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.022 1.959 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.169 4.867 -4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.907 1.329 -4.275 1.00 0.00 H new ATOM 1294 N HIS A 86 15.873 5.664 1.384 1.00 0.00 N ATOM 1295 CA HIS A 86 16.493 5.900 2.682 1.00 0.00 C ATOM 1296 C HIS A 86 15.598 5.415 3.821 1.00 0.00 C ATOM 1297 O HIS A 86 16.074 5.171 4.931 1.00 0.00 O ATOM 1298 CB HIS A 86 16.812 7.391 2.845 1.00 0.00 C ATOM 1299 CG HIS A 86 17.343 7.773 4.194 1.00 0.00 C ATOM 1300 ND1 HIS A 86 16.540 8.242 5.213 1.00 0.00 N ATOM 1301 CD2 HIS A 86 18.604 7.763 4.686 1.00 0.00 C ATOM 1302 CE1 HIS A 86 17.284 8.505 6.268 1.00 0.00 C ATOM 1303 NE2 HIS A 86 18.537 8.222 5.976 1.00 0.00 N ATOM 0 H HIS A 86 14.905 5.979 1.317 1.00 0.00 H new ATOM 0 HA HIS A 86 17.421 5.330 2.727 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.542 7.678 2.088 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.907 7.966 2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.495 7.452 4.161 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.927 8.888 7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.330 8.327 6.608 1.00 0.00 H new ATOM 1312 N GLU A 87 14.301 5.265 3.528 1.00 0.00 N ATOM 1313 CA GLU A 87 13.314 4.843 4.507 1.00 0.00 C ATOM 1314 C GLU A 87 13.272 5.796 5.701 1.00 0.00 C ATOM 1315 O GLU A 87 13.713 6.946 5.608 1.00 0.00 O ATOM 1316 CB GLU A 87 13.635 3.441 5.000 1.00 0.00 C ATOM 1317 CG GLU A 87 14.026 2.461 3.911 1.00 0.00 C ATOM 1318 CD GLU A 87 14.841 1.305 4.452 1.00 0.00 C ATOM 1319 OE1 GLU A 87 14.511 0.797 5.545 1.00 0.00 O ATOM 1320 OE2 GLU A 87 15.830 0.916 3.798 1.00 0.00 O ATOM 0 H GLU A 87 13.913 5.435 2.600 1.00 0.00 H new ATOM 0 HA GLU A 87 12.339 4.852 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.448 3.502 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.766 3.048 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.127 2.076 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.600 2.981 3.144 1.00 0.00 H new ATOM 1327 N HIS A 88 12.723 5.292 6.810 1.00 0.00 N ATOM 1328 CA HIS A 88 12.710 5.987 8.097 1.00 0.00 C ATOM 1329 C HIS A 88 11.749 7.170 8.087 1.00 0.00 C ATOM 1330 O HIS A 88 11.985 8.180 7.424 1.00 0.00 O ATOM 1331 CB HIS A 88 14.119 6.452 8.477 1.00 0.00 C ATOM 1332 CG HIS A 88 14.283 6.720 9.941 1.00 0.00 C ATOM 1333 ND1 HIS A 88 14.896 5.834 10.793 1.00 0.00 N ATOM 1334 CD2 HIS A 88 13.915 7.776 10.703 1.00 0.00 C ATOM 1335 CE1 HIS A 88 14.900 6.328 12.011 1.00 0.00 C ATOM 1336 NE2 HIS A 88 14.309 7.506 11.989 1.00 0.00 N ATOM 0 H HIS A 88 12.270 4.379 6.838 1.00 0.00 H new ATOM 0 HA HIS A 88 12.360 5.277 8.846 1.00 0.00 H new ATOM 0 HB2 HIS A 88 14.839 5.693 8.172 1.00 0.00 H new ATOM 0 HB3 HIS A 88 14.357 7.359 7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.406 8.666 10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.318 5.849 12.884 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.168 8.116 12.795 1.00 0.00 H new ATOM 1345 N ASP A 89 10.670 7.030 8.847 1.00 0.00 N ATOM 1346 CA ASP A 89 9.655 8.069 8.961 1.00 0.00 C ATOM 1347 C ASP A 89 10.193 9.268 9.734 1.00 0.00 C ATOM 1348 O ASP A 89 10.519 10.300 9.152 1.00 0.00 O ATOM 1349 CB ASP A 89 8.408 7.520 9.663 1.00 0.00 C ATOM 1350 CG ASP A 89 7.843 6.295 8.976 1.00 0.00 C ATOM 1351 OD1 ASP A 89 8.263 5.167 9.315 1.00 0.00 O ATOM 1352 OD2 ASP A 89 6.978 6.455 8.097 1.00 0.00 O ATOM 0 H ASP A 89 10.474 6.196 9.400 1.00 0.00 H new ATOM 0 HA ASP A 89 9.387 8.392 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.657 7.271 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.644 8.297 9.698 1.00 0.00 H new ATOM 1357 N HIS A 90 10.291 9.129 11.049 1.00 0.00 N ATOM 1358 CA HIS A 90 10.835 10.184 11.896 1.00 0.00 C ATOM 1359 C HIS A 90 11.677 9.573 13.002 1.00 0.00 C ATOM 1360 O HIS A 90 12.222 10.330 13.826 1.00 0.00 O ATOM 1361 CB HIS A 90 9.720 11.038 12.516 1.00 0.00 C ATOM 1362 CG HIS A 90 8.985 11.898 11.534 1.00 0.00 C ATOM 1363 ND1 HIS A 90 9.402 13.163 11.181 1.00 0.00 N ATOM 1364 CD2 HIS A 90 7.852 11.668 10.831 1.00 0.00 C ATOM 1365 CE1 HIS A 90 8.559 13.672 10.301 1.00 0.00 C ATOM 1366 NE2 HIS A 90 7.610 12.785 10.071 1.00 0.00 N ATOM 1367 OXT HIS A 90 11.781 8.330 13.046 1.00 0.00 O ATOM 0 H HIS A 90 10.000 8.293 11.555 1.00 0.00 H new ATOM 0 HA HIS A 90 11.452 10.829 11.271 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.006 10.379 13.010 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.153 11.675 13.287 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.250 10.772 10.862 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.634 14.649 9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.824 12.909 9.432 1.00 0.00 H new TER 1376 HIS A 90