USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.38 (180deg=0.856) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.0304 (180deg=-0.28) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0451 USER MOD Single : A 10 THR OG1 : rot -110:sc= 1.19 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0242 (180deg=-0.28) USER MOD Single : A 21 TYR OH : rot 59:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0469) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 0.0469 (180deg=-0.183) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.23! C(o=-3.9!,f=-1.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 119:sc= 1.27 USER MOD Single : A 35 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-7.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -151:sc= -0.629 (180deg=-1.61!) USER MOD Single : A 41 THR OG1 : rot 30:sc= 0.613 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 1.3 (180deg=0.856) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.654 (180deg=-0.0471) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 157:sc= 0.0336 USER MOD Single : A 52 CYS SG : rot 71:sc= 0.635 USER MOD Single : A 53 GLN : amide:sc= -0.0775 X(o=-0.078,f=-0.005) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.394 F(o=-2,f=-0.39) USER MOD Single : A 59 MET CE :methyl -169:sc= -6.44! (180deg=-7.03!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 69 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.6!) USER MOD Single : A 74 ASN : amide:sc= -0.347 K(o=-0.35,f=-4.2!) USER MOD Single : A 75 HIS : no HE2:sc= 0.434 K(o=0.43,f=-3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 151:sc= -0.842 (180deg=-3.95!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.4) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 95 THR OG1 : rot -47:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.515 -24.469 36.900 1.00 0.00 N ATOM 2 CA MET A 1 10.623 -25.031 35.546 1.00 0.00 C ATOM 3 C MET A 1 9.347 -24.776 34.773 1.00 0.00 C ATOM 4 O MET A 1 8.276 -25.244 35.149 1.00 0.00 O ATOM 5 CB MET A 1 10.906 -26.540 35.595 1.00 0.00 C ATOM 6 CG MET A 1 12.297 -26.914 36.092 1.00 0.00 C ATOM 7 SD MET A 1 12.594 -26.446 37.809 1.00 0.00 S ATOM 8 CE MET A 1 14.239 -27.120 38.052 1.00 0.00 C ATOM 0 H1 MET A 1 11.291 -24.833 37.490 1.00 0.00 H new ATOM 0 H2 MET A 1 10.574 -23.432 36.851 1.00 0.00 H new ATOM 0 H3 MET A 1 9.604 -24.744 37.318 1.00 0.00 H new ATOM 0 HA MET A 1 11.456 -24.540 35.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.166 -27.013 36.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.769 -26.954 34.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.435 -27.990 35.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.043 -26.434 35.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.570 -26.914 39.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.219 -28.197 37.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.929 -26.659 37.346 1.00 0.00 H new ATOM 18 N SER A 2 9.451 -24.030 33.699 1.00 0.00 N ATOM 19 CA SER A 2 8.308 -23.719 32.875 1.00 0.00 C ATOM 20 C SER A 2 8.534 -24.239 31.462 1.00 0.00 C ATOM 21 O SER A 2 9.659 -24.566 31.085 1.00 0.00 O ATOM 22 CB SER A 2 8.072 -22.213 32.864 1.00 0.00 C ATOM 23 OG SER A 2 7.947 -21.714 34.189 1.00 0.00 O ATOM 0 H SER A 2 10.327 -23.623 33.373 1.00 0.00 H new ATOM 0 HA SER A 2 7.423 -24.204 33.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.899 -21.714 32.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.169 -21.986 32.298 1.00 0.00 H new ATOM 0 HG SER A 2 7.798 -20.746 34.161 1.00 0.00 H new ATOM 29 N ASP A 3 7.477 -24.326 30.677 1.00 0.00 N ATOM 30 CA ASP A 3 7.595 -24.837 29.315 1.00 0.00 C ATOM 31 C ASP A 3 7.437 -23.718 28.301 1.00 0.00 C ATOM 32 O ASP A 3 7.370 -23.950 27.093 1.00 0.00 O ATOM 33 CB ASP A 3 6.561 -25.937 29.060 1.00 0.00 C ATOM 34 CG ASP A 3 5.157 -25.404 28.835 1.00 0.00 C ATOM 35 OD1 ASP A 3 4.564 -24.848 29.780 1.00 0.00 O ATOM 36 OD2 ASP A 3 4.635 -25.555 27.712 1.00 0.00 O ATOM 0 H ASP A 3 6.533 -24.053 30.951 1.00 0.00 H new ATOM 0 HA ASP A 3 8.591 -25.264 29.201 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.866 -26.517 28.189 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.551 -26.620 29.910 1.00 0.00 H new ATOM 41 N GLN A 4 7.398 -22.500 28.788 1.00 0.00 N ATOM 42 CA GLN A 4 7.242 -21.344 27.926 1.00 0.00 C ATOM 43 C GLN A 4 8.592 -20.825 27.454 1.00 0.00 C ATOM 44 O GLN A 4 9.595 -20.893 28.172 1.00 0.00 O ATOM 45 CB GLN A 4 6.455 -20.226 28.624 1.00 0.00 C ATOM 46 CG GLN A 4 7.060 -19.747 29.939 1.00 0.00 C ATOM 47 CD GLN A 4 6.285 -18.585 30.543 1.00 0.00 C ATOM 48 OE1 GLN A 4 5.083 -18.452 30.329 1.00 0.00 O ATOM 49 NE2 GLN A 4 6.961 -17.752 31.309 1.00 0.00 N ATOM 0 H GLN A 4 7.472 -22.280 29.781 1.00 0.00 H new ATOM 0 HA GLN A 4 6.673 -21.666 27.054 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.377 -19.377 27.945 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.441 -20.578 28.813 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.082 -20.574 30.649 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.093 -19.443 29.771 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.959 -17.896 31.463 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.486 -16.963 31.748 1.00 0.00 H new ATOM 58 N GLU A 5 8.618 -20.325 26.244 1.00 0.00 N ATOM 59 CA GLU A 5 9.813 -19.764 25.657 1.00 0.00 C ATOM 60 C GLU A 5 9.517 -18.362 25.182 1.00 0.00 C ATOM 61 O GLU A 5 10.129 -17.392 25.623 1.00 0.00 O ATOM 62 CB GLU A 5 10.287 -20.628 24.494 1.00 0.00 C ATOM 63 CG GLU A 5 11.526 -20.101 23.800 1.00 0.00 C ATOM 64 CD GLU A 5 11.928 -20.948 22.626 1.00 0.00 C ATOM 65 OE1 GLU A 5 11.430 -20.694 21.506 1.00 0.00 O ATOM 66 OE2 GLU A 5 12.740 -21.872 22.812 1.00 0.00 O ATOM 0 H GLU A 5 7.803 -20.295 25.631 1.00 0.00 H new ATOM 0 HA GLU A 5 10.606 -19.735 26.404 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.489 -21.634 24.861 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.482 -20.711 23.764 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.344 -19.080 23.463 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.349 -20.059 24.513 1.00 0.00 H new ATOM 73 N ALA A 6 8.560 -18.256 24.292 1.00 0.00 N ATOM 74 CA ALA A 6 8.129 -16.971 23.789 1.00 0.00 C ATOM 75 C ALA A 6 7.297 -16.250 24.842 1.00 0.00 C ATOM 76 O ALA A 6 6.708 -16.883 25.726 1.00 0.00 O ATOM 77 CB ALA A 6 7.328 -17.145 22.508 1.00 0.00 C ATOM 0 H ALA A 6 8.060 -19.052 23.897 1.00 0.00 H new ATOM 0 HA ALA A 6 9.009 -16.369 23.565 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.011 -16.169 22.142 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.948 -17.631 21.755 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.451 -17.760 22.708 1.00 0.00 H new ATOM 83 N LYS A 7 7.265 -14.934 24.775 1.00 0.00 N ATOM 84 CA LYS A 7 6.474 -14.154 25.709 1.00 0.00 C ATOM 85 C LYS A 7 4.998 -14.198 25.331 1.00 0.00 C ATOM 86 O LYS A 7 4.656 -14.196 24.145 1.00 0.00 O ATOM 87 CB LYS A 7 6.962 -12.702 25.781 1.00 0.00 C ATOM 88 CG LYS A 7 7.175 -12.042 24.428 1.00 0.00 C ATOM 89 CD LYS A 7 7.313 -10.536 24.569 1.00 0.00 C ATOM 90 CE LYS A 7 5.954 -9.868 24.726 1.00 0.00 C ATOM 91 NZ LYS A 7 5.176 -9.919 23.462 1.00 0.00 N ATOM 0 H LYS A 7 7.776 -14.382 24.086 1.00 0.00 H new ATOM 0 HA LYS A 7 6.597 -14.599 26.696 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.238 -12.116 26.347 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.899 -12.674 26.337 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.070 -12.450 23.958 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.336 -12.273 23.771 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.936 -10.305 25.433 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.820 -10.132 23.693 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.394 -10.362 25.520 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.090 -8.830 25.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.433 -9.191 23.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.810 -9.744 22.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.739 -10.857 23.361 1.00 0.00 H new ATOM 105 N PRO A 8 4.109 -14.253 26.336 1.00 0.00 N ATOM 106 CA PRO A 8 2.661 -14.312 26.120 1.00 0.00 C ATOM 107 C PRO A 8 2.119 -13.106 25.344 1.00 0.00 C ATOM 108 O PRO A 8 2.031 -13.130 24.116 1.00 0.00 O ATOM 109 CB PRO A 8 2.078 -14.352 27.546 1.00 0.00 C ATOM 110 CG PRO A 8 3.177 -13.847 28.420 1.00 0.00 C ATOM 111 CD PRO A 8 4.449 -14.285 27.766 1.00 0.00 C ATOM 0 HA PRO A 8 2.385 -15.173 25.511 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.189 -13.727 27.628 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.784 -15.364 27.825 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.137 -12.762 28.511 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.094 -14.255 29.428 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.276 -13.614 28.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.747 -15.283 28.089 1.00 0.00 H new ATOM 119 N SER A 9 1.770 -12.053 26.052 1.00 0.00 N ATOM 120 CA SER A 9 1.215 -10.865 25.428 1.00 0.00 C ATOM 121 C SER A 9 1.589 -9.616 26.215 1.00 0.00 C ATOM 122 O SER A 9 1.835 -9.681 27.421 1.00 0.00 O ATOM 123 CB SER A 9 -0.309 -10.976 25.354 1.00 0.00 C ATOM 124 OG SER A 9 -0.718 -12.211 24.776 1.00 0.00 O ATOM 0 H SER A 9 1.861 -11.993 27.066 1.00 0.00 H new ATOM 0 HA SER A 9 1.628 -10.786 24.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.730 -10.885 26.355 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.706 -10.149 24.765 1.00 0.00 H new ATOM 0 HG SER A 9 -1.697 -12.250 24.745 1.00 0.00 H new ATOM 130 N THR A 10 1.667 -8.493 25.530 1.00 0.00 N ATOM 131 CA THR A 10 1.938 -7.220 26.160 1.00 0.00 C ATOM 132 C THR A 10 1.218 -6.111 25.363 1.00 0.00 C ATOM 133 O THR A 10 0.501 -6.413 24.399 1.00 0.00 O ATOM 134 CB THR A 10 3.475 -6.965 26.244 1.00 0.00 C ATOM 135 OG1 THR A 10 3.771 -6.040 27.294 1.00 0.00 O ATOM 136 CG2 THR A 10 4.030 -6.441 24.928 1.00 0.00 C ATOM 0 H THR A 10 1.544 -8.439 24.519 1.00 0.00 H new ATOM 0 HA THR A 10 1.561 -7.222 27.183 1.00 0.00 H new ATOM 0 HB THR A 10 3.953 -7.921 26.457 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.075 -5.192 26.907 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.103 -6.276 25.026 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.846 -7.170 24.139 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.540 -5.501 24.675 1.00 0.00 H new ATOM 144 N GLU A 11 1.379 -4.843 25.752 1.00 0.00 N ATOM 145 CA GLU A 11 0.708 -3.746 25.044 1.00 0.00 C ATOM 146 C GLU A 11 1.216 -3.636 23.603 1.00 0.00 C ATOM 147 O GLU A 11 2.334 -4.052 23.291 1.00 0.00 O ATOM 148 CB GLU A 11 0.861 -2.395 25.782 1.00 0.00 C ATOM 149 CG GLU A 11 2.284 -1.856 25.867 1.00 0.00 C ATOM 150 CD GLU A 11 3.104 -2.526 26.939 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.695 -3.580 26.669 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.164 -1.993 28.069 1.00 0.00 O ATOM 0 H GLU A 11 1.958 -4.552 26.540 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.356 -3.983 25.022 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.239 -1.654 25.281 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.471 -2.507 26.794 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.776 -1.991 24.904 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.250 -0.784 26.060 1.00 0.00 H new ATOM 159 N ASP A 12 0.397 -3.089 22.725 1.00 0.00 N ATOM 160 CA ASP A 12 0.750 -2.996 21.313 1.00 0.00 C ATOM 161 C ASP A 12 1.559 -1.745 21.023 1.00 0.00 C ATOM 162 O ASP A 12 2.744 -1.818 20.696 1.00 0.00 O ATOM 163 CB ASP A 12 -0.507 -3.039 20.441 1.00 0.00 C ATOM 164 CG ASP A 12 -0.202 -3.059 18.950 1.00 0.00 C ATOM 165 OD1 ASP A 12 0.761 -3.745 18.538 1.00 0.00 O ATOM 166 OD2 ASP A 12 -0.946 -2.420 18.185 1.00 0.00 O ATOM 0 H ASP A 12 -0.517 -2.702 22.960 1.00 0.00 H new ATOM 0 HA ASP A 12 1.373 -3.857 21.069 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.090 -3.924 20.698 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.128 -2.172 20.667 1.00 0.00 H new ATOM 171 N LEU A 13 0.935 -0.591 21.144 1.00 0.00 N ATOM 172 CA LEU A 13 1.623 0.663 20.890 1.00 0.00 C ATOM 173 C LEU A 13 1.076 1.773 21.770 1.00 0.00 C ATOM 174 O LEU A 13 -0.110 1.787 22.123 1.00 0.00 O ATOM 175 CB LEU A 13 1.523 1.071 19.399 1.00 0.00 C ATOM 176 CG LEU A 13 0.192 1.697 18.930 1.00 0.00 C ATOM 177 CD1 LEU A 13 0.329 2.223 17.510 1.00 0.00 C ATOM 178 CD2 LEU A 13 -0.952 0.694 19.007 1.00 0.00 C ATOM 0 H LEU A 13 -0.043 -0.493 21.415 1.00 0.00 H new ATOM 0 HA LEU A 13 2.674 0.509 21.134 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.323 1.780 19.188 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.713 0.186 18.792 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.040 2.526 19.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.617 2.662 17.192 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.111 2.982 17.477 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.591 1.403 16.842 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.874 1.167 18.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.729 -0.162 18.370 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.072 0.358 20.037 1.00 0.00 H new ATOM 190 N GLY A 14 1.937 2.701 22.131 1.00 0.00 N ATOM 191 CA GLY A 14 1.532 3.820 22.940 1.00 0.00 C ATOM 192 C GLY A 14 2.005 5.127 22.352 1.00 0.00 C ATOM 193 O GLY A 14 2.455 6.016 23.068 1.00 0.00 O ATOM 0 H GLY A 14 2.924 2.698 21.874 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.446 3.832 23.029 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.933 3.706 23.947 1.00 0.00 H new ATOM 197 N ASP A 15 1.932 5.241 21.033 1.00 0.00 N ATOM 198 CA ASP A 15 2.344 6.464 20.345 1.00 0.00 C ATOM 199 C ASP A 15 1.398 7.610 20.680 1.00 0.00 C ATOM 200 O ASP A 15 1.709 8.459 21.515 1.00 0.00 O ATOM 201 CB ASP A 15 2.411 6.248 18.828 1.00 0.00 C ATOM 202 CG ASP A 15 2.869 7.488 18.081 1.00 0.00 C ATOM 203 OD1 ASP A 15 3.973 7.997 18.383 1.00 0.00 O ATOM 204 OD2 ASP A 15 2.128 7.960 17.194 1.00 0.00 O ATOM 0 H ASP A 15 1.592 4.504 20.415 1.00 0.00 H new ATOM 0 HA ASP A 15 3.343 6.726 20.693 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.093 5.426 18.612 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.428 5.951 18.463 1.00 0.00 H new ATOM 209 N LYS A 16 0.243 7.637 20.027 1.00 0.00 N ATOM 210 CA LYS A 16 -0.769 8.649 20.282 1.00 0.00 C ATOM 211 C LYS A 16 -2.079 8.270 19.607 1.00 0.00 C ATOM 212 O LYS A 16 -2.099 7.853 18.447 1.00 0.00 O ATOM 213 CB LYS A 16 -0.293 10.024 19.787 1.00 0.00 C ATOM 214 CG LYS A 16 0.071 10.054 18.309 1.00 0.00 C ATOM 215 CD LYS A 16 0.844 11.303 17.950 1.00 0.00 C ATOM 216 CE LYS A 16 -0.014 12.554 18.059 1.00 0.00 C ATOM 217 NZ LYS A 16 0.784 13.791 17.870 1.00 0.00 N ATOM 0 H LYS A 16 -0.016 6.960 19.309 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.935 8.707 21.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.077 10.758 19.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.575 10.329 20.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.666 9.174 18.062 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.838 10.003 17.709 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.708 11.397 18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.227 11.213 16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.807 12.516 17.312 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.497 12.579 19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.163 14.621 17.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.525 13.841 18.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.224 13.780 16.928 1.00 0.00 H new ATOM 231 N LYS A 17 -3.169 8.386 20.330 1.00 0.00 N ATOM 232 CA LYS A 17 -4.474 8.091 19.779 1.00 0.00 C ATOM 233 C LYS A 17 -5.059 9.357 19.169 1.00 0.00 C ATOM 234 O LYS A 17 -5.902 9.310 18.269 1.00 0.00 O ATOM 235 CB LYS A 17 -5.394 7.512 20.872 1.00 0.00 C ATOM 236 CG LYS A 17 -6.768 7.065 20.383 1.00 0.00 C ATOM 237 CD LYS A 17 -7.792 8.196 20.432 1.00 0.00 C ATOM 238 CE LYS A 17 -8.186 8.542 21.859 1.00 0.00 C ATOM 239 NZ LYS A 17 -8.891 7.422 22.528 1.00 0.00 N ATOM 0 H LYS A 17 -3.179 8.684 21.305 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.384 7.340 18.994 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.894 6.661 21.334 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.528 8.264 21.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.686 6.695 19.361 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.117 6.234 20.995 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.380 9.080 19.944 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.680 7.906 19.870 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.294 8.801 22.429 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.828 9.423 21.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.389 7.778 23.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.579 7.002 21.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.201 6.699 22.815 1.00 0.00 H new ATOM 253 N GLU A 18 -4.587 10.487 19.655 1.00 0.00 N ATOM 254 CA GLU A 18 -5.026 11.778 19.170 1.00 0.00 C ATOM 255 C GLU A 18 -4.568 11.995 17.732 1.00 0.00 C ATOM 256 O GLU A 18 -3.376 11.895 17.411 1.00 0.00 O ATOM 257 CB GLU A 18 -4.502 12.900 20.075 1.00 0.00 C ATOM 258 CG GLU A 18 -2.995 12.902 20.245 1.00 0.00 C ATOM 259 CD GLU A 18 -2.508 14.053 21.085 1.00 0.00 C ATOM 260 OE1 GLU A 18 -2.810 15.214 20.739 1.00 0.00 O ATOM 261 OE2 GLU A 18 -1.808 13.808 22.089 1.00 0.00 O ATOM 0 H GLU A 18 -3.889 10.535 20.397 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.116 11.799 19.191 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.812 13.860 19.663 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.968 12.809 21.056 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.684 11.964 20.705 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.523 12.948 19.264 1.00 0.00 H new ATOM 268 N GLY A 19 -5.510 12.259 16.867 1.00 0.00 N ATOM 269 CA GLY A 19 -5.205 12.485 15.489 1.00 0.00 C ATOM 270 C GLY A 19 -6.260 11.893 14.607 1.00 0.00 C ATOM 271 O GLY A 19 -7.139 11.166 15.079 1.00 0.00 O ATOM 0 H GLY A 19 -6.501 12.322 17.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.126 13.556 15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.236 12.046 15.250 1.00 0.00 H new ATOM 275 N GLU A 20 -6.205 12.184 13.336 1.00 0.00 N ATOM 276 CA GLU A 20 -7.176 11.661 12.416 1.00 0.00 C ATOM 277 C GLU A 20 -6.667 10.393 11.777 1.00 0.00 C ATOM 278 O GLU A 20 -5.692 10.404 11.032 1.00 0.00 O ATOM 279 CB GLU A 20 -7.524 12.691 11.350 1.00 0.00 C ATOM 280 CG GLU A 20 -8.129 13.959 11.913 1.00 0.00 C ATOM 281 CD GLU A 20 -8.597 14.903 10.841 1.00 0.00 C ATOM 282 OE1 GLU A 20 -9.684 14.674 10.280 1.00 0.00 O ATOM 283 OE2 GLU A 20 -7.882 15.889 10.556 1.00 0.00 O ATOM 0 H GLU A 20 -5.495 12.783 12.913 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.083 11.430 12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.622 12.944 10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.223 12.247 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.970 13.701 12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.392 14.462 12.538 1.00 0.00 H new ATOM 290 N TYR A 21 -7.304 9.291 12.092 1.00 0.00 N ATOM 291 CA TYR A 21 -6.937 8.015 11.526 1.00 0.00 C ATOM 292 C TYR A 21 -8.077 7.484 10.702 1.00 0.00 C ATOM 293 O TYR A 21 -9.234 7.534 11.122 1.00 0.00 O ATOM 294 CB TYR A 21 -6.578 7.005 12.614 1.00 0.00 C ATOM 295 CG TYR A 21 -5.392 7.404 13.471 1.00 0.00 C ATOM 296 CD1 TYR A 21 -5.549 8.248 14.564 1.00 0.00 C ATOM 297 CD2 TYR A 21 -4.118 6.937 13.186 1.00 0.00 C ATOM 298 CE1 TYR A 21 -4.472 8.616 15.346 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.034 7.299 13.964 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.216 8.138 15.041 1.00 0.00 C ATOM 301 OH TYR A 21 -2.137 8.505 15.813 1.00 0.00 O ATOM 0 H TYR A 21 -8.087 9.253 12.744 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.059 8.162 10.897 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.445 6.860 13.259 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.365 6.044 12.145 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.532 8.623 14.806 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.970 6.279 12.342 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.613 9.274 16.191 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.048 6.925 13.728 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.289 8.228 16.741 1.00 0.00 H new ATOM 311 N ILE A 22 -7.778 7.001 9.524 1.00 0.00 N ATOM 312 CA ILE A 22 -8.791 6.477 8.650 1.00 0.00 C ATOM 313 C ILE A 22 -8.508 5.026 8.304 1.00 0.00 C ATOM 314 O ILE A 22 -7.404 4.527 8.509 1.00 0.00 O ATOM 315 CB ILE A 22 -8.849 7.272 7.345 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.457 7.361 6.734 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.428 8.662 7.586 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.474 7.636 5.265 1.00 0.00 C ATOM 0 H ILE A 22 -6.831 6.960 9.147 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.742 6.556 9.177 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.506 6.756 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.896 8.148 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.927 6.426 6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.460 9.211 6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.437 8.571 7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.801 9.199 8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.451 7.687 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.008 6.836 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.976 8.585 5.078 1.00 0.00 H new ATOM 330 N LYS A 23 -9.498 4.364 7.755 1.00 0.00 N ATOM 331 CA LYS A 23 -9.366 2.982 7.348 1.00 0.00 C ATOM 332 C LYS A 23 -9.532 2.871 5.843 1.00 0.00 C ATOM 333 O LYS A 23 -10.408 3.495 5.262 1.00 0.00 O ATOM 334 CB LYS A 23 -10.383 2.096 8.102 1.00 0.00 C ATOM 335 CG LYS A 23 -11.817 2.628 8.116 1.00 0.00 C ATOM 336 CD LYS A 23 -12.592 2.225 6.870 1.00 0.00 C ATOM 337 CE LYS A 23 -13.922 2.952 6.788 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.796 2.662 7.956 1.00 0.00 N ATOM 0 H LYS A 23 -10.418 4.766 7.577 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.369 2.624 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.384 1.104 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.045 1.977 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.333 2.253 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.799 3.715 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.999 2.447 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.763 1.149 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.744 4.026 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.436 2.663 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.734 3.083 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.893 1.633 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.373 3.068 8.815 1.00 0.00 H new ATOM 352 N LEU A 24 -8.663 2.121 5.205 1.00 0.00 N ATOM 353 CA LEU A 24 -8.712 1.942 3.768 1.00 0.00 C ATOM 354 C LEU A 24 -8.543 0.467 3.419 1.00 0.00 C ATOM 355 O LEU A 24 -8.378 -0.381 4.309 1.00 0.00 O ATOM 356 CB LEU A 24 -7.629 2.772 3.058 1.00 0.00 C ATOM 357 CG LEU A 24 -7.483 4.227 3.495 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.629 4.331 4.749 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.883 5.048 2.382 1.00 0.00 C ATOM 0 H LEU A 24 -7.903 1.618 5.664 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.685 2.291 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.670 2.275 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.836 2.757 1.988 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.474 4.618 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.539 5.377 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.097 3.767 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.638 3.923 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.784 6.084 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.900 4.652 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.531 5.002 1.506 1.00 0.00 H new ATOM 371 N LYS A 25 -8.547 0.158 2.129 1.00 0.00 N ATOM 372 CA LYS A 25 -8.444 -1.214 1.672 1.00 0.00 C ATOM 373 C LYS A 25 -7.706 -1.270 0.344 1.00 0.00 C ATOM 374 O LYS A 25 -7.845 -0.382 -0.495 1.00 0.00 O ATOM 375 CB LYS A 25 -9.847 -1.839 1.551 1.00 0.00 C ATOM 376 CG LYS A 25 -9.870 -3.267 1.008 1.00 0.00 C ATOM 377 CD LYS A 25 -10.104 -3.302 -0.494 1.00 0.00 C ATOM 378 CE LYS A 25 -11.521 -2.883 -0.849 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.530 -3.871 -0.383 1.00 0.00 N ATOM 0 H LYS A 25 -8.621 0.846 1.380 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.876 -1.791 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.318 -1.832 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.455 -1.209 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.925 -3.758 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.654 -3.833 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.393 -2.640 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.917 -4.308 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.733 -1.911 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.603 -2.764 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.061 -4.237 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.049 -4.658 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.187 -3.410 0.279 1.00 0.00 H new ATOM 393 N VAL A 26 -6.919 -2.311 0.144 1.00 0.00 N ATOM 394 CA VAL A 26 -6.162 -2.455 -1.096 1.00 0.00 C ATOM 395 C VAL A 26 -6.272 -3.876 -1.612 1.00 0.00 C ATOM 396 O VAL A 26 -6.275 -4.829 -0.831 1.00 0.00 O ATOM 397 CB VAL A 26 -4.658 -2.073 -0.927 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.505 -0.775 -0.164 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.884 -3.176 -0.246 1.00 0.00 C ATOM 0 H VAL A 26 -6.784 -3.067 0.816 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.597 -1.762 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.245 -1.934 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.447 -0.535 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.008 0.026 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.950 -0.880 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.840 -2.878 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.307 -3.361 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.945 -4.086 -0.843 1.00 0.00 H new ATOM 409 N ILE A 27 -6.404 -4.022 -2.918 1.00 0.00 N ATOM 410 CA ILE A 27 -6.518 -5.332 -3.541 1.00 0.00 C ATOM 411 C ILE A 27 -5.430 -5.514 -4.582 1.00 0.00 C ATOM 412 O ILE A 27 -5.086 -4.581 -5.309 1.00 0.00 O ATOM 413 CB ILE A 27 -7.895 -5.499 -4.224 1.00 0.00 C ATOM 414 CG1 ILE A 27 -9.006 -5.243 -3.220 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.039 -6.897 -4.821 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.334 -4.915 -3.854 1.00 0.00 C ATOM 0 H ILE A 27 -6.435 -3.242 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.412 -6.083 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.969 -4.772 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.123 -6.124 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.712 -4.420 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.016 -6.991 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.257 -7.058 -5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.947 -7.642 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.077 -4.745 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.234 -4.016 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.652 -5.746 -4.483 1.00 0.00 H new ATOM 428 N GLY A 28 -4.888 -6.706 -4.662 1.00 0.00 N ATOM 429 CA GLY A 28 -3.859 -6.970 -5.626 1.00 0.00 C ATOM 430 C GLY A 28 -4.252 -8.052 -6.594 1.00 0.00 C ATOM 431 O GLY A 28 -5.286 -8.702 -6.432 1.00 0.00 O ATOM 0 H GLY A 28 -5.143 -7.500 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.636 -6.056 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.945 -7.262 -5.109 1.00 0.00 H new ATOM 435 N GLN A 29 -3.413 -8.276 -7.594 1.00 0.00 N ATOM 436 CA GLN A 29 -3.659 -9.295 -8.620 1.00 0.00 C ATOM 437 C GLN A 29 -3.604 -10.700 -8.006 1.00 0.00 C ATOM 438 O GLN A 29 -3.931 -11.696 -8.645 1.00 0.00 O ATOM 439 CB GLN A 29 -2.620 -9.168 -9.760 1.00 0.00 C ATOM 440 CG GLN A 29 -1.320 -9.960 -9.545 1.00 0.00 C ATOM 441 CD GLN A 29 -0.535 -9.560 -8.294 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.548 -8.286 -7.947 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 0.109 -10.395 -7.671 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.542 -7.761 -7.723 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.655 -9.137 -9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.081 -9.501 -10.690 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.369 -8.115 -9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.561 -11.021 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.680 -9.829 -10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.098 -11.372 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.657 -10.114 -6.858 1.00 0.00 H new ATOM 452 N ASP A 30 -3.196 -10.755 -6.749 1.00 0.00 N ATOM 453 CA ASP A 30 -3.058 -11.998 -6.010 1.00 0.00 C ATOM 454 C ASP A 30 -4.415 -12.431 -5.448 1.00 0.00 C ATOM 455 O ASP A 30 -4.524 -13.442 -4.759 1.00 0.00 O ATOM 456 CB ASP A 30 -2.052 -11.787 -4.866 1.00 0.00 C ATOM 457 CG ASP A 30 -1.704 -13.070 -4.124 1.00 0.00 C ATOM 458 OD1 ASP A 30 -0.889 -13.862 -4.641 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.238 -13.286 -3.016 1.00 0.00 O ATOM 0 H ASP A 30 -2.948 -9.927 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.697 -12.782 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.139 -11.351 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.463 -11.067 -4.159 1.00 0.00 H new ATOM 464 N SER A 31 -5.458 -11.640 -5.751 1.00 0.00 N ATOM 465 CA SER A 31 -6.828 -11.906 -5.281 1.00 0.00 C ATOM 466 C SER A 31 -6.912 -11.727 -3.772 1.00 0.00 C ATOM 467 O SER A 31 -7.857 -12.171 -3.120 1.00 0.00 O ATOM 468 CB SER A 31 -7.279 -13.320 -5.677 1.00 0.00 C ATOM 469 OG SER A 31 -7.033 -13.568 -7.053 1.00 0.00 O ATOM 0 H SER A 31 -5.376 -10.802 -6.326 1.00 0.00 H new ATOM 0 HA SER A 31 -7.497 -11.190 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.751 -14.057 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.342 -13.438 -5.467 1.00 0.00 H new ATOM 0 HG SER A 31 -7.327 -14.475 -7.280 1.00 0.00 H new ATOM 475 N SER A 32 -5.916 -11.077 -3.219 1.00 0.00 N ATOM 476 CA SER A 32 -5.861 -10.822 -1.813 1.00 0.00 C ATOM 477 C SER A 32 -6.079 -9.340 -1.550 1.00 0.00 C ATOM 478 O SER A 32 -5.895 -8.503 -2.449 1.00 0.00 O ATOM 479 CB SER A 32 -4.508 -11.276 -1.267 1.00 0.00 C ATOM 480 OG SER A 32 -4.313 -12.663 -1.505 1.00 0.00 O ATOM 0 H SER A 32 -5.120 -10.711 -3.741 1.00 0.00 H new ATOM 0 HA SER A 32 -6.648 -11.380 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.709 -10.705 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.455 -11.074 -0.197 1.00 0.00 H new ATOM 0 HG SER A 32 -3.525 -12.790 -2.073 1.00 0.00 H new ATOM 486 N GLU A 33 -6.462 -9.006 -0.333 1.00 0.00 N ATOM 487 CA GLU A 33 -6.697 -7.631 0.030 1.00 0.00 C ATOM 488 C GLU A 33 -6.427 -7.434 1.506 1.00 0.00 C ATOM 489 O GLU A 33 -6.386 -8.399 2.275 1.00 0.00 O ATOM 490 CB GLU A 33 -8.130 -7.190 -0.316 1.00 0.00 C ATOM 491 CG GLU A 33 -9.217 -7.812 0.541 1.00 0.00 C ATOM 492 CD GLU A 33 -10.573 -7.185 0.290 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.177 -7.465 -0.762 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.040 -6.401 1.147 1.00 0.00 O ATOM 0 H GLU A 33 -6.616 -9.675 0.421 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.014 -7.009 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.192 -6.106 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.327 -7.434 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.270 -8.882 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.956 -7.700 1.593 1.00 0.00 H new ATOM 501 N ILE A 34 -6.239 -6.199 1.911 1.00 0.00 N ATOM 502 CA ILE A 34 -5.981 -5.902 3.303 1.00 0.00 C ATOM 503 C ILE A 34 -6.619 -4.577 3.703 1.00 0.00 C ATOM 504 O ILE A 34 -6.712 -3.642 2.894 1.00 0.00 O ATOM 505 CB ILE A 34 -4.461 -5.890 3.612 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.220 -5.780 5.109 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.770 -4.751 2.885 1.00 0.00 C ATOM 508 CD1 ILE A 34 -2.862 -6.251 5.530 1.00 0.00 C ATOM 0 H ILE A 34 -6.260 -5.384 1.298 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.434 -6.697 3.895 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.039 -6.831 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.347 -4.741 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.977 -6.362 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.705 -4.764 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.908 -4.868 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.200 -3.802 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.758 -6.144 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.739 -7.299 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.099 -5.653 5.032 1.00 0.00 H new ATOM 520 N HIS A 35 -7.109 -4.515 4.931 1.00 0.00 N ATOM 521 CA HIS A 35 -7.718 -3.310 5.472 1.00 0.00 C ATOM 522 C HIS A 35 -6.819 -2.769 6.559 1.00 0.00 C ATOM 523 O HIS A 35 -6.298 -3.530 7.374 1.00 0.00 O ATOM 524 CB HIS A 35 -9.106 -3.607 6.068 1.00 0.00 C ATOM 525 CG HIS A 35 -10.105 -4.158 5.091 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.464 -4.128 5.308 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.936 -4.770 3.898 1.00 0.00 C ATOM 528 CE1 HIS A 35 -12.083 -4.697 4.296 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.177 -5.093 3.426 1.00 0.00 N ATOM 0 H HIS A 35 -7.096 -5.300 5.582 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.841 -2.584 4.668 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.990 -4.317 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.506 -2.688 6.497 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.994 -4.967 3.408 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.151 -4.819 4.196 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.370 -5.565 2.543 1.00 0.00 H new ATOM 538 N PHE A 36 -6.627 -1.476 6.594 1.00 0.00 N ATOM 539 CA PHE A 36 -5.733 -0.887 7.579 1.00 0.00 C ATOM 540 C PHE A 36 -6.214 0.467 8.050 1.00 0.00 C ATOM 541 O PHE A 36 -6.806 1.236 7.289 1.00 0.00 O ATOM 542 CB PHE A 36 -4.306 -0.781 7.022 1.00 0.00 C ATOM 543 CG PHE A 36 -4.240 -0.322 5.593 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.401 1.014 5.263 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.022 -1.236 4.581 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.343 1.425 3.949 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.965 -0.832 3.270 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.126 0.503 2.952 1.00 0.00 C ATOM 0 H PHE A 36 -7.069 -0.809 5.962 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.729 -1.551 8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.736 -0.089 7.642 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.822 -1.754 7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.574 1.740 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.895 -2.281 4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.468 2.469 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.794 -1.557 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.081 0.822 1.921 1.00 0.00 H new HETATM 558 OH ALY A 37 -5.596 -2.017 13.512 1.00 0.00 O HETATM 559 CH ALY A 37 -6.808 -2.052 13.747 1.00 0.00 C HETATM 560 CH3 ALY A 37 -7.387 -2.988 14.772 1.00 0.00 C HETATM 561 NZ ALY A 37 -7.666 -1.247 13.138 1.00 0.00 N HETATM 562 CE ALY A 37 -7.958 0.115 13.582 1.00 0.00 C HETATM 563 CD ALY A 37 -8.868 0.850 12.605 1.00 0.00 C HETATM 564 CG ALY A 37 -8.234 0.977 11.223 1.00 0.00 C HETATM 565 CB ALY A 37 -6.988 1.851 11.253 1.00 0.00 C HETATM 566 CA ALY A 37 -6.308 2.031 9.894 1.00 0.00 C HETATM 567 N ALY A 37 -5.964 0.756 9.314 1.00 0.00 N HETATM 568 C ALY A 37 -5.049 2.862 10.057 1.00 0.00 C HETATM 569 O ALY A 37 -4.320 2.728 11.047 1.00 0.00 O HETATM 0 HH33 ALY A 37 -7.160 -4.017 14.494 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -6.953 -2.772 15.748 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -8.468 -2.854 14.818 1.00 0.00 H new HETATM 0 HZ ALY A 37 -8.151 -1.598 12.312 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -8.959 1.400 10.528 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -7.975 -0.014 10.849 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -7.025 0.668 13.695 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -8.430 0.083 14.564 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -9.092 1.843 12.994 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -9.816 0.319 12.522 1.00 0.00 H new HETATM 0 HCA ALY A 37 -7.007 2.539 9.229 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -6.271 1.416 11.949 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -7.257 2.832 11.644 1.00 0.00 H new HETATM 0 H ALY A 37 -6.182 -0.107 9.813 1.00 0.00 H new ATOM 584 N VAL A 38 -4.761 3.680 9.075 1.00 0.00 N ATOM 585 CA VAL A 38 -3.587 4.523 9.106 1.00 0.00 C ATOM 586 C VAL A 38 -3.959 5.922 9.550 1.00 0.00 C ATOM 587 O VAL A 38 -5.087 6.176 9.950 1.00 0.00 O ATOM 588 CB VAL A 38 -2.890 4.590 7.726 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.386 3.222 7.319 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.826 5.157 6.667 1.00 0.00 C ATOM 0 H VAL A 38 -5.330 3.782 8.234 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.889 4.082 9.818 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.035 5.261 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.899 3.288 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.671 2.863 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.225 2.529 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.310 5.193 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.707 4.521 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.131 6.164 6.953 1.00 0.00 H new ATOM 600 N LYS A 39 -3.023 6.831 9.465 1.00 0.00 N ATOM 601 CA LYS A 39 -3.265 8.188 9.875 1.00 0.00 C ATOM 602 C LYS A 39 -3.482 9.058 8.648 1.00 0.00 C ATOM 603 O LYS A 39 -3.059 8.696 7.547 1.00 0.00 O ATOM 604 CB LYS A 39 -2.086 8.706 10.702 1.00 0.00 C ATOM 605 CG LYS A 39 -2.383 9.986 11.463 1.00 0.00 C ATOM 606 CD LYS A 39 -1.246 10.349 12.397 1.00 0.00 C ATOM 607 CE LYS A 39 -1.621 11.524 13.279 1.00 0.00 C ATOM 608 NZ LYS A 39 -0.542 11.864 14.230 1.00 0.00 N ATOM 0 H LYS A 39 -2.082 6.654 9.114 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.160 8.225 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.786 7.935 11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.238 8.877 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.551 10.800 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.303 9.866 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.993 9.490 13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.358 10.595 11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.842 12.390 12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.531 11.288 13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.837 12.672 14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.348 11.046 14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.319 12.114 13.703 1.00 0.00 H new ATOM 622 N MET A 40 -4.160 10.193 8.832 1.00 0.00 N ATOM 623 CA MET A 40 -4.416 11.144 7.745 1.00 0.00 C ATOM 624 C MET A 40 -3.122 11.482 7.028 1.00 0.00 C ATOM 625 O MET A 40 -3.093 11.682 5.813 1.00 0.00 O ATOM 626 CB MET A 40 -5.062 12.418 8.298 1.00 0.00 C ATOM 627 CG MET A 40 -5.495 13.439 7.239 1.00 0.00 C ATOM 628 SD MET A 40 -6.882 12.877 6.213 1.00 0.00 S ATOM 629 CE MET A 40 -6.031 12.077 4.850 1.00 0.00 C ATOM 0 H MET A 40 -4.545 10.479 9.732 1.00 0.00 H new ATOM 0 HA MET A 40 -5.101 10.684 7.033 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.934 12.138 8.889 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.358 12.899 8.977 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.774 14.368 7.735 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.645 13.664 6.595 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.641 12.146 3.949 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.074 12.570 4.679 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.860 11.028 5.093 1.00 0.00 H new ATOM 639 N THR A 41 -2.041 11.534 7.774 1.00 0.00 N ATOM 640 CA THR A 41 -0.760 11.787 7.202 1.00 0.00 C ATOM 641 C THR A 41 0.232 10.738 7.702 1.00 0.00 C ATOM 642 O THR A 41 0.488 10.628 8.905 1.00 0.00 O ATOM 643 CB THR A 41 -0.281 13.201 7.591 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.169 13.296 9.024 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.280 14.245 7.101 1.00 0.00 C ATOM 0 H THR A 41 -2.036 11.402 8.785 1.00 0.00 H new ATOM 0 HA THR A 41 -0.828 11.729 6.116 1.00 0.00 H new ATOM 0 HB THR A 41 0.690 13.383 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.051 12.416 9.394 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.933 15.240 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.369 14.183 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.253 14.059 7.556 1.00 0.00 H new ATOM 653 N THR A 42 0.770 9.952 6.784 1.00 0.00 N ATOM 654 CA THR A 42 1.732 8.917 7.117 1.00 0.00 C ATOM 655 C THR A 42 2.286 8.310 5.831 1.00 0.00 C ATOM 656 O THR A 42 1.815 8.621 4.735 1.00 0.00 O ATOM 657 CB THR A 42 1.092 7.799 7.993 1.00 0.00 C ATOM 658 OG1 THR A 42 2.109 6.936 8.515 1.00 0.00 O ATOM 659 CG2 THR A 42 0.105 6.969 7.184 1.00 0.00 C ATOM 0 H THR A 42 0.552 10.014 5.789 1.00 0.00 H new ATOM 0 HA THR A 42 2.537 9.373 7.694 1.00 0.00 H new ATOM 0 HB THR A 42 0.561 8.282 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.695 6.238 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.327 6.196 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.689 7.614 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.623 6.502 6.346 1.00 0.00 H new ATOM 667 N HIS A 43 3.263 7.440 5.953 1.00 0.00 N ATOM 668 CA HIS A 43 3.845 6.789 4.797 1.00 0.00 C ATOM 669 C HIS A 43 3.183 5.439 4.554 1.00 0.00 C ATOM 670 O HIS A 43 3.147 4.578 5.435 1.00 0.00 O ATOM 671 CB HIS A 43 5.352 6.629 4.971 1.00 0.00 C ATOM 672 CG HIS A 43 6.093 7.928 4.934 1.00 0.00 C ATOM 673 ND1 HIS A 43 6.689 8.487 6.035 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.330 8.781 3.909 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.258 9.623 5.697 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.055 9.826 4.412 1.00 0.00 N ATOM 0 H HIS A 43 3.674 7.165 6.845 1.00 0.00 H new ATOM 0 HA HIS A 43 3.669 7.418 3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.550 6.132 5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.734 5.978 4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.007 8.659 2.886 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.801 10.279 6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.384 10.631 3.879 1.00 0.00 H new ATOM 685 N LEU A 44 2.666 5.250 3.341 1.00 0.00 N ATOM 686 CA LEU A 44 1.957 4.016 2.966 1.00 0.00 C ATOM 687 C LEU A 44 2.861 2.781 3.017 1.00 0.00 C ATOM 688 O LEU A 44 2.396 1.640 2.910 1.00 0.00 O ATOM 689 CB LEU A 44 1.339 4.160 1.576 1.00 0.00 C ATOM 690 CG LEU A 44 0.317 5.290 1.416 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.337 5.224 0.053 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.733 5.240 2.519 1.00 0.00 C ATOM 0 H LEU A 44 2.723 5.939 2.591 1.00 0.00 H new ATOM 0 HA LEU A 44 1.167 3.867 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.142 4.317 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.856 3.219 1.314 1.00 0.00 H new ATOM 0 HG LEU A 44 0.847 6.239 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.060 6.034 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.424 5.323 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.847 4.267 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.445 6.053 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.259 4.286 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.247 5.345 3.489 1.00 0.00 H new ATOM 704 N LYS A 45 4.147 2.999 3.176 1.00 0.00 N ATOM 705 CA LYS A 45 5.103 1.916 3.268 1.00 0.00 C ATOM 706 C LYS A 45 4.749 1.000 4.455 1.00 0.00 C ATOM 707 O LYS A 45 5.031 -0.197 4.442 1.00 0.00 O ATOM 708 CB LYS A 45 6.519 2.498 3.407 1.00 0.00 C ATOM 709 CG LYS A 45 7.648 1.500 3.168 1.00 0.00 C ATOM 710 CD LYS A 45 8.091 0.803 4.442 1.00 0.00 C ATOM 711 CE LYS A 45 8.635 1.793 5.463 1.00 0.00 C ATOM 712 NZ LYS A 45 9.241 1.101 6.627 1.00 0.00 N ATOM 0 H LYS A 45 4.560 3.929 3.245 1.00 0.00 H new ATOM 0 HA LYS A 45 5.068 1.311 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.628 3.323 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.628 2.916 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.321 0.753 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.499 2.019 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.249 0.261 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.858 0.065 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.381 2.431 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.830 2.443 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.910 1.546 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.962 0.099 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.277 1.172 6.572 1.00 0.00 H new ATOM 726 N LYS A 46 4.081 1.569 5.465 1.00 0.00 N ATOM 727 CA LYS A 46 3.668 0.810 6.642 1.00 0.00 C ATOM 728 C LYS A 46 2.601 -0.233 6.265 1.00 0.00 C ATOM 729 O LYS A 46 2.507 -1.299 6.876 1.00 0.00 O ATOM 730 CB LYS A 46 3.138 1.768 7.747 1.00 0.00 C ATOM 731 CG LYS A 46 1.724 2.317 7.509 1.00 0.00 C ATOM 732 CD LYS A 46 0.658 1.381 8.081 1.00 0.00 C ATOM 733 CE LYS A 46 0.513 1.549 9.586 1.00 0.00 C ATOM 734 NZ LYS A 46 -0.042 0.332 10.231 1.00 0.00 N ATOM 0 H LYS A 46 3.817 2.554 5.487 1.00 0.00 H new ATOM 0 HA LYS A 46 4.536 0.281 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.150 1.240 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.827 2.608 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.632 3.301 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.559 2.449 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.299 1.581 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.920 0.348 7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.486 1.778 10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.137 2.399 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.124 0.489 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.982 0.127 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.591 -0.474 10.054 1.00 0.00 H new ATOM 748 N LEU A 47 1.799 0.075 5.241 1.00 0.00 N ATOM 749 CA LEU A 47 0.744 -0.831 4.818 1.00 0.00 C ATOM 750 C LEU A 47 1.330 -1.914 3.947 1.00 0.00 C ATOM 751 O LEU A 47 0.828 -3.033 3.904 1.00 0.00 O ATOM 752 CB LEU A 47 -0.401 -0.085 4.107 1.00 0.00 C ATOM 753 CG LEU A 47 -0.188 0.279 2.638 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.663 -0.835 1.720 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.895 1.570 2.314 1.00 0.00 C ATOM 0 H LEU A 47 1.864 0.937 4.699 1.00 0.00 H new ATOM 0 HA LEU A 47 0.305 -1.292 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.299 -0.699 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.599 0.834 4.658 1.00 0.00 H new ATOM 0 HG LEU A 47 0.881 0.412 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.498 -0.546 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.106 -1.747 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.726 -1.012 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.736 1.819 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.963 1.457 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.499 2.369 2.940 1.00 0.00 H new ATOM 767 N LYS A 48 2.414 -1.580 3.240 1.00 0.00 N ATOM 768 CA LYS A 48 3.129 -2.578 2.449 1.00 0.00 C ATOM 769 C LYS A 48 3.614 -3.679 3.365 1.00 0.00 C ATOM 770 O LYS A 48 3.417 -4.871 3.098 1.00 0.00 O ATOM 771 CB LYS A 48 4.327 -1.970 1.721 1.00 0.00 C ATOM 772 CG LYS A 48 4.041 -1.483 0.314 1.00 0.00 C ATOM 773 CD LYS A 48 3.169 -0.245 0.296 1.00 0.00 C ATOM 774 CE LYS A 48 3.112 0.352 -1.099 1.00 0.00 C ATOM 775 NZ LYS A 48 4.440 0.296 -1.776 1.00 0.00 N ATOM 0 H LYS A 48 2.809 -0.640 3.201 1.00 0.00 H new ATOM 0 HA LYS A 48 2.442 -2.972 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.705 -1.134 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.123 -2.714 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.983 -1.268 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.551 -2.277 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.163 -0.498 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.561 0.492 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.376 -0.187 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.777 1.388 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.457 0.976 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.188 0.537 -1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.602 -0.663 -2.143 1.00 0.00 H new ATOM 789 N GLU A 49 4.266 -3.279 4.456 1.00 0.00 N ATOM 790 CA GLU A 49 4.735 -4.215 5.462 1.00 0.00 C ATOM 791 C GLU A 49 3.590 -5.058 5.963 1.00 0.00 C ATOM 792 O GLU A 49 3.651 -6.273 5.941 1.00 0.00 O ATOM 793 CB GLU A 49 5.355 -3.468 6.634 1.00 0.00 C ATOM 794 CG GLU A 49 6.396 -2.457 6.221 1.00 0.00 C ATOM 795 CD GLU A 49 7.049 -1.773 7.402 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.427 -1.710 8.478 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.190 -1.290 7.264 1.00 0.00 O ATOM 0 H GLU A 49 4.480 -2.303 4.661 1.00 0.00 H new ATOM 0 HA GLU A 49 5.488 -4.858 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.566 -2.960 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.809 -4.188 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.162 -2.953 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.933 -1.705 5.582 1.00 0.00 H new ATOM 804 N SER A 50 2.524 -4.396 6.385 1.00 0.00 N ATOM 805 CA SER A 50 1.338 -5.072 6.899 1.00 0.00 C ATOM 806 C SER A 50 0.784 -6.071 5.873 1.00 0.00 C ATOM 807 O SER A 50 0.239 -7.117 6.233 1.00 0.00 O ATOM 808 CB SER A 50 0.265 -4.037 7.272 1.00 0.00 C ATOM 809 OG SER A 50 -0.853 -4.646 7.896 1.00 0.00 O ATOM 0 H SER A 50 2.454 -3.378 6.382 1.00 0.00 H new ATOM 0 HA SER A 50 1.620 -5.630 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.695 -3.292 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.060 -3.510 6.375 1.00 0.00 H new ATOM 0 HG SER A 50 -1.516 -3.960 8.122 1.00 0.00 H new ATOM 815 N TYR A 51 0.951 -5.764 4.596 1.00 0.00 N ATOM 816 CA TYR A 51 0.454 -6.629 3.540 1.00 0.00 C ATOM 817 C TYR A 51 1.333 -7.875 3.438 1.00 0.00 C ATOM 818 O TYR A 51 0.839 -9.003 3.446 1.00 0.00 O ATOM 819 CB TYR A 51 0.416 -5.887 2.197 1.00 0.00 C ATOM 820 CG TYR A 51 -0.487 -6.530 1.153 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.239 -7.810 0.677 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.585 -5.853 0.650 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.059 -8.394 -0.269 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.413 -6.431 -0.299 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.143 -7.699 -0.753 1.00 0.00 C ATOM 826 OH TYR A 51 -2.959 -8.275 -1.699 1.00 0.00 O ATOM 0 H TYR A 51 1.426 -4.924 4.267 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.565 -6.930 3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.082 -4.864 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.429 -5.829 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.611 -8.360 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.800 -4.856 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.850 -9.391 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.265 -5.888 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.842 -7.850 -1.672 1.00 0.00 H new ATOM 836 N CYS A 52 2.641 -7.671 3.357 1.00 0.00 N ATOM 837 CA CYS A 52 3.584 -8.780 3.268 1.00 0.00 C ATOM 838 C CYS A 52 3.611 -9.578 4.578 1.00 0.00 C ATOM 839 O CYS A 52 3.883 -10.767 4.589 1.00 0.00 O ATOM 840 CB CYS A 52 4.993 -8.276 2.907 1.00 0.00 C ATOM 841 SG CYS A 52 6.229 -9.579 2.734 1.00 0.00 S ATOM 0 H CYS A 52 3.074 -6.748 3.351 1.00 0.00 H new ATOM 0 HA CYS A 52 3.249 -9.444 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.938 -7.718 1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.324 -7.578 3.676 1.00 0.00 H new ATOM 0 HG CYS A 52 5.995 -10.258 1.650 1.00 0.00 H new ATOM 847 N GLN A 53 3.325 -8.915 5.677 1.00 0.00 N ATOM 848 CA GLN A 53 3.290 -9.568 6.981 1.00 0.00 C ATOM 849 C GLN A 53 2.053 -10.443 7.132 1.00 0.00 C ATOM 850 O GLN A 53 2.075 -11.460 7.815 1.00 0.00 O ATOM 851 CB GLN A 53 3.345 -8.530 8.105 1.00 0.00 C ATOM 852 CG GLN A 53 4.707 -7.871 8.266 1.00 0.00 C ATOM 853 CD GLN A 53 5.703 -8.765 8.971 1.00 0.00 C ATOM 854 OE1 GLN A 53 5.813 -8.744 10.200 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.434 -9.551 8.208 1.00 0.00 N ATOM 0 H GLN A 53 3.111 -7.918 5.700 1.00 0.00 H new ATOM 0 HA GLN A 53 4.168 -10.211 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.599 -7.759 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.071 -9.010 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.096 -7.603 7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.594 -6.944 8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.311 -9.537 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.123 -10.174 8.630 1.00 0.00 H new ATOM 864 N ARG A 54 0.964 -10.043 6.498 1.00 0.00 N ATOM 865 CA ARG A 54 -0.281 -10.777 6.609 1.00 0.00 C ATOM 866 C ARG A 54 -0.412 -11.840 5.516 1.00 0.00 C ATOM 867 O ARG A 54 -0.739 -12.988 5.791 1.00 0.00 O ATOM 868 CB ARG A 54 -1.462 -9.813 6.548 1.00 0.00 C ATOM 869 CG ARG A 54 -2.802 -10.424 6.952 1.00 0.00 C ATOM 870 CD ARG A 54 -2.843 -10.786 8.440 1.00 0.00 C ATOM 871 NE ARG A 54 -1.980 -11.929 8.762 1.00 0.00 N ATOM 872 CZ ARG A 54 -1.148 -11.984 9.809 1.00 0.00 C ATOM 873 NH1 ARG A 54 -1.083 -10.968 10.673 1.00 0.00 N ATOM 874 NH2 ARG A 54 -0.386 -13.060 9.990 1.00 0.00 N ATOM 0 H ARG A 54 0.918 -9.216 5.903 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.280 -11.290 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.254 -8.963 7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.546 -9.425 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.604 -9.720 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.987 -11.318 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.533 -9.923 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.869 -11.017 8.727 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.017 -12.739 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.669 -10.144 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.447 -11.015 11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.438 -13.838 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.250 -13.107 10.786 1.00 0.00 H new ATOM 888 N GLN A 55 -0.157 -11.455 4.274 1.00 0.00 N ATOM 889 CA GLN A 55 -0.305 -12.375 3.146 1.00 0.00 C ATOM 890 C GLN A 55 0.988 -13.127 2.849 1.00 0.00 C ATOM 891 O GLN A 55 0.989 -14.120 2.123 1.00 0.00 O ATOM 892 CB GLN A 55 -0.780 -11.625 1.893 1.00 0.00 C ATOM 893 CG GLN A 55 -2.285 -11.360 1.845 1.00 0.00 C ATOM 894 CD GLN A 55 -2.770 -10.351 2.878 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.955 -9.356 3.182 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.885 -10.459 3.381 1.00 0.00 N flip ATOM 0 H GLN A 55 0.152 -10.517 4.018 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.059 -13.110 3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.254 -10.672 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.497 -12.200 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.549 -11.001 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.814 -12.301 1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.488 -11.240 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.209 -9.767 4.057 1.00 0.00 H new ATOM 905 N GLY A 56 2.093 -12.653 3.407 1.00 0.00 N ATOM 906 CA GLY A 56 3.388 -13.305 3.202 1.00 0.00 C ATOM 907 C GLY A 56 3.878 -13.234 1.758 1.00 0.00 C ATOM 908 O GLY A 56 4.797 -13.955 1.365 1.00 0.00 O ATOM 0 H GLY A 56 2.124 -11.825 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.128 -12.840 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.312 -14.350 3.502 1.00 0.00 H new ATOM 912 N VAL A 57 3.281 -12.361 0.966 1.00 0.00 N ATOM 913 CA VAL A 57 3.647 -12.227 -0.438 1.00 0.00 C ATOM 914 C VAL A 57 4.692 -11.129 -0.643 1.00 0.00 C ATOM 915 O VAL A 57 4.768 -10.180 0.144 1.00 0.00 O ATOM 916 CB VAL A 57 2.410 -11.951 -1.330 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.500 -13.162 -1.364 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.645 -10.731 -0.841 1.00 0.00 C ATOM 0 H VAL A 57 2.538 -11.731 1.270 1.00 0.00 H new ATOM 0 HA VAL A 57 4.081 -13.180 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 57 2.763 -11.749 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.637 -12.951 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.045 -14.015 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.163 -13.393 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.782 -10.560 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.307 -10.899 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.297 -9.858 -0.869 1.00 0.00 H new ATOM 928 N PRO A 58 5.522 -11.259 -1.694 1.00 0.00 N ATOM 929 CA PRO A 58 6.576 -10.283 -2.005 1.00 0.00 C ATOM 930 C PRO A 58 6.011 -8.928 -2.442 1.00 0.00 C ATOM 931 O PRO A 58 5.439 -8.794 -3.518 1.00 0.00 O ATOM 932 CB PRO A 58 7.345 -10.941 -3.157 1.00 0.00 C ATOM 933 CG PRO A 58 6.377 -11.884 -3.776 1.00 0.00 C ATOM 934 CD PRO A 58 5.505 -12.376 -2.660 1.00 0.00 C ATOM 0 HA PRO A 58 7.193 -10.063 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.688 -10.198 -3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.229 -11.465 -2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.784 -11.386 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.895 -12.712 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.494 -12.593 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.895 -13.294 -2.220 1.00 0.00 H new ATOM 942 N MET A 59 6.175 -7.923 -1.596 1.00 0.00 N ATOM 943 CA MET A 59 5.656 -6.580 -1.859 1.00 0.00 C ATOM 944 C MET A 59 6.448 -5.814 -2.916 1.00 0.00 C ATOM 945 O MET A 59 6.039 -4.742 -3.348 1.00 0.00 O ATOM 946 CB MET A 59 5.547 -5.782 -0.560 1.00 0.00 C ATOM 947 CG MET A 59 4.292 -6.083 0.238 1.00 0.00 C ATOM 948 SD MET A 59 2.777 -5.646 -0.627 1.00 0.00 S ATOM 949 CE MET A 59 2.323 -7.217 -1.357 1.00 0.00 C ATOM 0 H MET A 59 6.670 -8.010 -0.708 1.00 0.00 H new ATOM 0 HA MET A 59 4.659 -6.712 -2.278 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.419 -5.992 0.059 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.571 -4.718 -0.795 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.270 -7.145 0.481 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.332 -5.541 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.520 -7.065 -2.078 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.188 -7.647 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.985 -7.897 -0.575 1.00 0.00 H new ATOM 959 N ASN A 60 7.579 -6.350 -3.326 1.00 0.00 N ATOM 960 CA ASN A 60 8.412 -5.686 -4.330 1.00 0.00 C ATOM 961 C ASN A 60 8.052 -6.127 -5.747 1.00 0.00 C ATOM 962 O ASN A 60 8.131 -5.348 -6.694 1.00 0.00 O ATOM 963 CB ASN A 60 9.888 -5.943 -4.052 1.00 0.00 C ATOM 964 CG ASN A 60 10.357 -5.218 -2.814 1.00 0.00 C ATOM 965 OD1 ASN A 60 10.903 -4.121 -2.894 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.132 -5.816 -1.662 1.00 0.00 N ATOM 0 H ASN A 60 7.948 -7.238 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 60 8.219 -4.615 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.055 -7.013 -3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.481 -5.622 -4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.415 -5.367 -0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.675 -6.728 -1.641 1.00 0.00 H new ATOM 973 N SER A 61 7.686 -7.399 -5.895 1.00 0.00 N ATOM 974 CA SER A 61 7.279 -7.957 -7.185 1.00 0.00 C ATOM 975 C SER A 61 6.095 -7.186 -7.816 1.00 0.00 C ATOM 976 O SER A 61 5.899 -7.206 -9.032 1.00 0.00 O ATOM 977 CB SER A 61 6.928 -9.431 -7.012 1.00 0.00 C ATOM 978 OG SER A 61 7.998 -10.132 -6.389 1.00 0.00 O ATOM 0 H SER A 61 7.663 -8.070 -5.128 1.00 0.00 H new ATOM 0 HA SER A 61 8.119 -7.855 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.024 -9.527 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.712 -9.875 -7.984 1.00 0.00 H new ATOM 0 HG SER A 61 7.754 -11.075 -6.285 1.00 0.00 H new ATOM 984 N LEU A 62 5.305 -6.530 -6.993 1.00 0.00 N ATOM 985 CA LEU A 62 4.192 -5.742 -7.471 1.00 0.00 C ATOM 986 C LEU A 62 4.268 -4.314 -6.943 1.00 0.00 C ATOM 987 O LEU A 62 5.077 -4.007 -6.076 1.00 0.00 O ATOM 988 CB LEU A 62 2.828 -6.400 -7.121 1.00 0.00 C ATOM 989 CG LEU A 62 2.664 -7.092 -5.745 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.327 -8.455 -5.728 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.172 -6.219 -4.605 1.00 0.00 C ATOM 0 H LEU A 62 5.416 -6.528 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 62 4.261 -5.704 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.061 -5.629 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.612 -7.141 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 62 1.595 -7.239 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.193 -8.913 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.874 -9.089 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.392 -8.344 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.038 -6.742 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.230 -6.005 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.612 -5.284 -4.585 1.00 0.00 H new ATOM 1003 N ARG A 63 3.438 -3.434 -7.470 1.00 0.00 N ATOM 1004 CA ARG A 63 3.423 -2.057 -7.014 1.00 0.00 C ATOM 1005 C ARG A 63 2.022 -1.619 -6.643 1.00 0.00 C ATOM 1006 O ARG A 63 1.040 -2.263 -7.006 1.00 0.00 O ATOM 1007 CB ARG A 63 4.040 -1.085 -8.038 1.00 0.00 C ATOM 1008 CG ARG A 63 3.352 -1.025 -9.399 1.00 0.00 C ATOM 1009 CD ARG A 63 3.803 -2.151 -10.311 1.00 0.00 C ATOM 1010 NE ARG A 63 3.523 -1.849 -11.719 1.00 0.00 N ATOM 1011 CZ ARG A 63 4.459 -1.502 -12.618 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.734 -1.430 -12.263 1.00 0.00 N ATOM 1013 NH2 ARG A 63 4.111 -1.227 -13.867 1.00 0.00 N ATOM 0 H ARG A 63 2.769 -3.646 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 63 4.048 -2.022 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.037 -0.084 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.083 -1.363 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.272 -1.079 -9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.566 -0.067 -9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.872 -2.320 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.297 -3.074 -10.028 1.00 0.00 H new ATOM 0 HE ARG A 63 2.555 -1.906 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.009 -1.639 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.440 -1.166 -12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.131 -1.279 -14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.823 -0.964 -14.549 1.00 0.00 H new ATOM 1027 N PHE A 64 1.930 -0.504 -5.945 1.00 0.00 N ATOM 1028 CA PHE A 64 0.660 -0.004 -5.457 1.00 0.00 C ATOM 1029 C PHE A 64 0.273 1.254 -6.195 1.00 0.00 C ATOM 1030 O PHE A 64 0.961 2.277 -6.112 1.00 0.00 O ATOM 1031 CB PHE A 64 0.734 0.271 -3.950 1.00 0.00 C ATOM 1032 CG PHE A 64 0.735 -0.965 -3.095 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.717 -1.930 -3.240 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.246 -1.152 -2.137 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.720 -3.057 -2.449 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.247 -2.279 -1.343 1.00 0.00 C ATOM 1037 CZ PHE A 64 0.736 -3.232 -1.498 1.00 0.00 C ATOM 0 H PHE A 64 2.731 0.079 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.100 -0.764 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.637 0.844 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.113 0.895 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.490 -1.797 -3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.018 -0.408 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.491 -3.803 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.018 -2.415 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.736 -4.115 -0.876 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.809 1.180 -6.927 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.288 2.309 -7.683 1.00 0.00 C ATOM 1049 C LEU A 65 -2.714 2.637 -7.289 1.00 0.00 C ATOM 1050 O LEU A 65 -3.552 1.753 -7.120 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.208 2.040 -9.189 1.00 0.00 C ATOM 1052 CG LEU A 65 0.127 1.487 -9.716 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.044 1.239 -11.214 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.271 2.437 -9.403 1.00 0.00 C ATOM 0 H LEU A 65 -1.381 0.340 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.649 3.162 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.997 1.336 -9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.423 2.971 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 65 0.323 0.540 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.997 0.848 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.745 0.516 -11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.179 2.175 -11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.203 2.022 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.082 3.402 -9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.349 2.569 -8.324 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.984 3.899 -7.131 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.306 4.358 -6.756 1.00 0.00 C ATOM 1068 C PHE A 66 -4.920 5.139 -7.887 1.00 0.00 C ATOM 1069 O PHE A 66 -4.538 6.265 -8.133 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.237 5.225 -5.491 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.498 6.001 -5.209 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.742 5.394 -5.292 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.434 7.341 -4.870 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.890 6.106 -5.044 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.583 8.062 -4.620 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.813 7.443 -4.707 1.00 0.00 C ATOM 0 H PHE A 66 -2.301 4.646 -7.256 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.929 3.489 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.018 4.585 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.406 5.924 -5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.809 4.349 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.473 7.828 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.852 5.621 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.520 9.108 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.715 8.004 -4.512 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.866 4.520 -8.590 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.577 5.142 -9.725 1.00 0.00 C ATOM 1088 C GLU A 67 -5.612 5.853 -10.703 1.00 0.00 C ATOM 1089 O GLU A 67 -5.964 6.848 -11.339 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.683 6.105 -9.230 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.181 7.359 -8.535 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.241 8.424 -8.422 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -9.064 8.361 -7.493 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.257 9.341 -9.268 1.00 0.00 O ATOM 0 H GLU A 67 -6.169 3.566 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.054 4.336 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.294 6.401 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.334 5.564 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.825 7.099 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.328 7.758 -9.084 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.411 5.304 -10.852 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.417 5.903 -11.726 1.00 0.00 C ATOM 1103 C GLY A 68 -2.301 6.601 -10.961 1.00 0.00 C ATOM 1104 O GLY A 68 -1.372 7.152 -11.554 1.00 0.00 O ATOM 0 H GLY A 68 -4.107 4.452 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.986 5.130 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.905 6.622 -12.384 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.378 6.576 -9.641 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.371 7.179 -8.799 1.00 0.00 C ATOM 1110 C GLN A 69 -0.275 6.195 -8.527 1.00 0.00 C ATOM 1111 O GLN A 69 -0.523 5.017 -8.344 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.981 7.646 -7.480 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.670 8.986 -7.564 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.688 10.136 -7.518 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -1.402 10.681 -6.455 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -1.125 10.479 -8.649 1.00 0.00 N ATOM 0 H GLN A 69 -3.142 6.136 -9.128 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.960 8.044 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.699 6.900 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.195 7.699 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.247 9.039 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.378 9.081 -6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.387 10.005 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.425 11.220 -8.666 1.00 0.00 H new ATOM 1125 N ARG A 70 0.930 6.674 -8.485 1.00 0.00 N ATOM 1126 CA ARG A 70 2.069 5.824 -8.233 1.00 0.00 C ATOM 1127 C ARG A 70 2.517 5.963 -6.779 1.00 0.00 C ATOM 1128 O ARG A 70 2.862 7.054 -6.309 1.00 0.00 O ATOM 1129 CB ARG A 70 3.224 6.114 -9.228 1.00 0.00 C ATOM 1130 CG ARG A 70 4.052 7.368 -8.946 1.00 0.00 C ATOM 1131 CD ARG A 70 3.280 8.634 -9.252 1.00 0.00 C ATOM 1132 NE ARG A 70 4.008 9.832 -8.848 1.00 0.00 N ATOM 1133 CZ ARG A 70 3.671 11.074 -9.200 1.00 0.00 C ATOM 1134 NH1 ARG A 70 2.625 11.285 -10.001 1.00 0.00 N ATOM 1135 NH2 ARG A 70 4.378 12.103 -8.753 1.00 0.00 N ATOM 0 H ARG A 70 1.159 7.658 -8.623 1.00 0.00 H new ATOM 0 HA ARG A 70 1.772 4.788 -8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.894 5.254 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.802 6.199 -10.229 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.358 7.373 -7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.963 7.344 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.070 8.681 -10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.318 8.605 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 70 4.830 9.712 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.080 10.495 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.371 12.236 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.178 11.944 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.121 13.053 -9.021 1.00 0.00 H new ATOM 1149 N ILE A 71 2.449 4.879 -6.043 1.00 0.00 N ATOM 1150 CA ILE A 71 2.845 4.891 -4.654 1.00 0.00 C ATOM 1151 C ILE A 71 4.059 3.998 -4.435 1.00 0.00 C ATOM 1152 O ILE A 71 3.933 2.780 -4.222 1.00 0.00 O ATOM 1153 CB ILE A 71 1.694 4.437 -3.697 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.476 5.384 -3.776 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.197 4.353 -2.259 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.401 5.193 -5.002 1.00 0.00 C ATOM 0 H ILE A 71 2.122 3.975 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 71 3.094 5.925 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 71 1.371 3.448 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.135 5.243 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.833 6.414 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.383 4.036 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.012 3.631 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.556 5.332 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.229 5.901 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.189 5.365 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.793 4.176 -5.014 1.00 0.00 H new ATOM 1168 N ALA A 72 5.242 4.579 -4.488 1.00 0.00 N ATOM 1169 CA ALA A 72 6.440 3.811 -4.270 1.00 0.00 C ATOM 1170 C ALA A 72 6.996 4.076 -2.886 1.00 0.00 C ATOM 1171 O ALA A 72 7.991 4.782 -2.723 1.00 0.00 O ATOM 1172 CB ALA A 72 7.477 4.127 -5.334 1.00 0.00 C ATOM 0 H ALA A 72 5.393 5.570 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 72 6.189 2.753 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.376 3.537 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.075 3.883 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.725 5.188 -5.296 1.00 0.00 H new ATOM 1178 N ASP A 73 6.334 3.487 -1.885 1.00 0.00 N ATOM 1179 CA ASP A 73 6.729 3.586 -0.468 1.00 0.00 C ATOM 1180 C ASP A 73 7.144 4.990 -0.074 1.00 0.00 C ATOM 1181 O ASP A 73 8.147 5.185 0.605 1.00 0.00 O ATOM 1182 CB ASP A 73 7.844 2.592 -0.154 1.00 0.00 C ATOM 1183 CG ASP A 73 7.391 1.176 -0.354 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.230 0.879 -0.007 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.163 0.371 -0.884 1.00 0.00 O ATOM 0 H ASP A 73 5.499 2.921 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 73 5.848 3.338 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.703 2.794 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.174 2.727 0.876 1.00 0.00 H new ATOM 1190 N ASN A 74 6.362 5.977 -0.471 1.00 0.00 N ATOM 1191 CA ASN A 74 6.701 7.358 -0.177 1.00 0.00 C ATOM 1192 C ASN A 74 5.463 8.245 -0.183 1.00 0.00 C ATOM 1193 O ASN A 74 5.351 9.181 0.606 1.00 0.00 O ATOM 1194 CB ASN A 74 7.741 7.893 -1.175 1.00 0.00 C ATOM 1195 CG ASN A 74 7.207 8.042 -2.590 1.00 0.00 C ATOM 1196 OD1 ASN A 74 6.327 7.291 -3.037 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.729 9.006 -3.299 1.00 0.00 N ATOM 0 H ASN A 74 5.495 5.851 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 74 7.133 7.382 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.101 8.862 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.599 7.221 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.415 9.163 -4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.451 9.603 -2.895 1.00 0.00 H new ATOM 1204 N HIS A 75 4.532 7.944 -1.075 1.00 0.00 N ATOM 1205 CA HIS A 75 3.309 8.714 -1.209 1.00 0.00 C ATOM 1206 C HIS A 75 2.468 8.621 0.058 1.00 0.00 C ATOM 1207 O HIS A 75 2.465 7.597 0.750 1.00 0.00 O ATOM 1208 CB HIS A 75 2.509 8.231 -2.420 1.00 0.00 C ATOM 1209 CG HIS A 75 2.133 9.326 -3.373 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.407 9.283 -4.722 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.479 10.492 -3.166 1.00 0.00 C ATOM 1212 CE1 HIS A 75 1.942 10.373 -5.299 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.374 11.123 -4.379 1.00 0.00 N ATOM 0 H HIS A 75 4.604 7.161 -1.724 1.00 0.00 H new ATOM 0 HA HIS A 75 3.577 9.760 -1.361 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.093 7.482 -2.954 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.602 7.738 -2.071 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.894 8.525 -5.200 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.108 10.858 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.015 10.611 -6.350 1.00 0.00 H new ATOM 1222 N THR A 76 1.760 9.688 0.361 1.00 0.00 N ATOM 1223 CA THR A 76 0.941 9.758 1.557 1.00 0.00 C ATOM 1224 C THR A 76 -0.538 9.841 1.187 1.00 0.00 C ATOM 1225 O THR A 76 -0.880 10.281 0.085 1.00 0.00 O ATOM 1226 CB THR A 76 1.318 10.990 2.405 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.190 12.173 1.615 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.743 10.879 2.917 1.00 0.00 C ATOM 0 H THR A 76 1.734 10.531 -0.212 1.00 0.00 H new ATOM 0 HA THR A 76 1.121 8.853 2.138 1.00 0.00 H new ATOM 0 HB THR A 76 0.643 11.039 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.428 12.955 2.156 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.985 11.759 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.839 9.986 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.429 10.812 2.072 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.438 9.430 2.105 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.887 9.458 1.866 1.00 0.00 C ATOM 1238 C PRO A 77 -3.409 10.871 1.604 1.00 0.00 C ATOM 1239 O PRO A 77 -4.371 11.067 0.858 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.489 8.889 3.166 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.407 9.011 4.184 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.111 8.898 3.439 1.00 0.00 C ATOM 0 HA PRO A 77 -3.158 8.888 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.376 9.446 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.793 7.850 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.472 9.965 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.492 8.227 4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.320 9.474 3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.766 7.865 3.387 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.748 11.863 2.188 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.167 13.250 2.034 1.00 0.00 C ATOM 1252 C LYS A 78 -2.738 13.781 0.673 1.00 0.00 C ATOM 1253 O LYS A 78 -3.426 14.587 0.049 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.559 14.125 3.147 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.037 14.137 3.148 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.476 15.385 3.805 1.00 0.00 C ATOM 1257 CE LYS A 78 1.039 15.377 3.772 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.614 16.602 4.376 1.00 0.00 N ATOM 0 H LYS A 78 -1.921 11.733 2.771 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.254 13.290 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.922 15.146 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.912 13.766 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.668 13.255 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.674 14.073 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.851 16.271 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.821 15.444 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.409 14.502 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.379 15.288 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.652 16.556 4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.282 17.436 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.312 16.675 5.368 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.603 13.300 0.202 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.024 13.752 -1.043 1.00 0.00 C ATOM 1274 C GLU A 79 -1.727 13.113 -2.236 1.00 0.00 C ATOM 1275 O GLU A 79 -1.735 13.652 -3.340 1.00 0.00 O ATOM 1276 CB GLU A 79 0.459 13.399 -1.054 1.00 0.00 C ATOM 1277 CG GLU A 79 1.238 14.031 -2.179 1.00 0.00 C ATOM 1278 CD GLU A 79 1.457 15.514 -1.962 1.00 0.00 C ATOM 1279 OE1 GLU A 79 0.486 16.291 -2.090 1.00 0.00 O ATOM 1280 OE2 GLU A 79 2.593 15.912 -1.648 1.00 0.00 O ATOM 0 H GLU A 79 -1.056 12.581 0.677 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.149 14.832 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.900 13.705 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.562 12.316 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.203 13.533 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.706 13.878 -3.118 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.318 11.958 -2.012 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.026 11.238 -3.061 1.00 0.00 C ATOM 1289 C LEU A 80 -4.422 11.796 -3.257 1.00 0.00 C ATOM 1290 O LEU A 80 -5.091 11.489 -4.240 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.116 9.768 -2.695 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.790 9.035 -2.629 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.928 7.785 -1.799 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.311 8.689 -4.019 1.00 0.00 C ATOM 0 H LEU A 80 -2.324 11.491 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.473 11.357 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.609 9.681 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.753 9.267 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.054 9.688 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.970 7.267 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.239 8.051 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.675 7.131 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.358 8.163 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.046 8.050 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.183 9.604 -4.598 1.00 0.00 H new ATOM 1306 N GLY A 81 -4.874 12.624 -2.321 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.199 13.190 -2.449 1.00 0.00 C ATOM 1308 C GLY A 81 -7.291 12.214 -2.049 1.00 0.00 C ATOM 1309 O GLY A 81 -8.455 12.388 -2.421 1.00 0.00 O ATOM 0 H GLY A 81 -4.355 12.908 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.270 14.083 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.358 13.505 -3.480 1.00 0.00 H new ATOM 1313 N MET A 82 -6.936 11.174 -1.300 1.00 0.00 N ATOM 1314 CA MET A 82 -7.904 10.148 -0.939 1.00 0.00 C ATOM 1315 C MET A 82 -8.304 10.265 0.536 1.00 0.00 C ATOM 1316 O MET A 82 -7.763 11.096 1.273 1.00 0.00 O ATOM 1317 CB MET A 82 -7.358 8.749 -1.252 1.00 0.00 C ATOM 1318 CG MET A 82 -6.208 8.293 -0.372 1.00 0.00 C ATOM 1319 SD MET A 82 -5.550 6.697 -0.896 1.00 0.00 S ATOM 1320 CE MET A 82 -4.458 6.307 0.460 1.00 0.00 C ATOM 0 H MET A 82 -5.996 11.022 -0.936 1.00 0.00 H new ATOM 0 HA MET A 82 -8.800 10.302 -1.541 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.172 8.030 -1.161 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.030 8.729 -2.291 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.414 9.039 -0.398 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.547 8.224 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.385 5.225 0.568 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.469 6.720 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.852 6.738 1.380 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.237 9.434 0.965 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.752 9.471 2.329 1.00 0.00 C ATOM 1332 C GLU A 83 -10.031 8.048 2.820 1.00 0.00 C ATOM 1333 O GLU A 83 -9.459 7.085 2.317 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.030 10.319 2.398 1.00 0.00 C ATOM 1335 CG GLU A 83 -12.161 9.797 1.532 1.00 0.00 C ATOM 1336 CD GLU A 83 -13.462 10.516 1.776 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -14.010 10.401 2.894 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -13.961 11.178 0.848 1.00 0.00 O ATOM 0 H GLU A 83 -9.661 8.713 0.381 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.002 9.927 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.369 10.364 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.794 11.339 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.886 9.899 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.298 8.733 1.723 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.882 7.910 3.832 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.222 6.599 4.345 1.00 0.00 C ATOM 1347 C GLU A 84 -12.113 5.850 3.360 1.00 0.00 C ATOM 1348 O GLU A 84 -12.801 6.460 2.538 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.909 6.697 5.709 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.267 7.365 5.684 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.954 7.279 7.019 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -13.746 8.167 7.857 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.700 6.298 7.245 1.00 0.00 O ATOM 0 H GLU A 84 -11.343 8.687 4.306 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.293 6.043 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.020 5.693 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.260 7.248 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.153 8.411 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.890 6.895 4.923 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.092 4.525 3.450 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.863 3.642 2.582 1.00 0.00 C ATOM 1362 C GLU A 85 -12.347 3.722 1.142 1.00 0.00 C ATOM 1363 O GLU A 85 -13.053 3.389 0.182 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.371 3.955 2.652 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.249 2.866 2.046 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.711 3.228 2.031 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -17.161 3.851 1.051 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -17.424 2.882 2.996 1.00 0.00 O ATOM 0 H GLU A 85 -11.530 4.026 4.139 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.729 2.620 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.655 4.101 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.563 4.895 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.919 2.667 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.115 1.943 2.610 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.108 4.149 0.987 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.507 4.224 -0.321 1.00 0.00 C ATOM 1377 C ASP A 86 -9.956 2.883 -0.736 1.00 0.00 C ATOM 1378 O ASP A 86 -9.704 2.007 0.109 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.424 5.280 -0.357 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.876 6.520 -1.107 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.766 6.543 -2.343 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.362 7.474 -0.465 1.00 0.00 O ATOM 0 H ASP A 86 -10.503 4.448 1.752 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.283 4.508 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.146 5.551 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.532 4.871 -0.833 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.780 2.697 -2.024 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.287 1.448 -2.544 1.00 0.00 C ATOM 1389 C VAL A 87 -8.032 1.651 -3.389 1.00 0.00 C ATOM 1390 O VAL A 87 -7.965 2.531 -4.247 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.380 0.704 -3.366 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.878 1.558 -4.523 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.867 -0.643 -3.867 1.00 0.00 C ATOM 0 H VAL A 87 -9.974 3.403 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.023 0.827 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.223 0.519 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.640 1.011 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.305 2.483 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.046 1.793 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.651 -1.141 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.997 -0.487 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.587 -1.265 -3.017 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.032 0.842 -3.123 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.786 0.893 -3.861 1.00 0.00 C ATOM 1405 C ILE A 88 -5.645 -0.382 -4.681 1.00 0.00 C ATOM 1406 O ILE A 88 -6.131 -1.448 -4.276 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.563 1.031 -2.923 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.789 2.138 -1.873 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.300 1.304 -3.731 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.903 3.528 -2.448 1.00 0.00 C ATOM 0 H ILE A 88 -7.057 0.131 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.812 1.771 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.437 0.088 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.698 1.913 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.965 2.119 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.449 1.398 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.125 0.480 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.421 2.230 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.061 4.244 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.985 3.778 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.746 3.568 -3.138 1.00 0.00 H new ATOM 1422 N GLU A 89 -4.991 -0.293 -5.820 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.841 -1.432 -6.693 1.00 0.00 C ATOM 1424 C GLU A 89 -3.379 -1.828 -6.798 1.00 0.00 C ATOM 1425 O GLU A 89 -2.505 -0.986 -6.997 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.413 -1.117 -8.067 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.785 -0.476 -8.008 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.515 -0.535 -9.326 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -8.003 -1.631 -9.694 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.611 0.506 -10.005 1.00 0.00 O ATOM 0 H GLU A 89 -4.553 0.563 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.393 -2.273 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.730 -0.451 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.473 -2.037 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.382 -0.975 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.682 0.565 -7.701 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.104 -3.100 -6.651 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.744 -3.587 -6.703 1.00 0.00 C ATOM 1439 C VAL A 90 -1.490 -4.368 -7.982 1.00 0.00 C ATOM 1440 O VAL A 90 -2.011 -5.477 -8.178 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.407 -4.463 -5.479 1.00 0.00 C ATOM 1442 CG1 VAL A 90 0.020 -4.955 -5.544 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.641 -3.694 -4.200 1.00 0.00 C ATOM 0 H VAL A 90 -3.807 -3.822 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.093 -2.713 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.067 -5.331 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.233 -5.570 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.160 -5.548 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.698 -4.102 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.399 -4.326 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.007 -2.808 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.687 -3.392 -4.143 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.672 -3.802 -8.842 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.365 -4.403 -10.125 1.00 0.00 C ATOM 1455 C TYR A 91 0.954 -5.139 -10.053 1.00 0.00 C ATOM 1456 O TYR A 91 1.917 -4.641 -9.476 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.303 -3.332 -11.207 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.605 -2.587 -11.413 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.967 -1.541 -10.578 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.467 -2.928 -12.445 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.147 -0.856 -10.762 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.655 -2.246 -12.636 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.988 -1.210 -11.792 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.166 -0.526 -11.979 1.00 0.00 O ATOM 0 H TYR A 91 -0.201 -2.913 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.154 -5.112 -10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.477 -2.615 -10.950 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.010 -3.798 -12.148 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.311 -1.258 -9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.206 -3.738 -13.110 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.411 -0.044 -10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.318 -2.524 -13.442 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.643 -0.900 -12.749 1.00 0.00 H new ATOM 1474 N GLN A 92 1.008 -6.318 -10.641 1.00 0.00 N ATOM 1475 CA GLN A 92 2.216 -7.122 -10.608 1.00 0.00 C ATOM 1476 C GLN A 92 3.099 -6.777 -11.783 1.00 0.00 C ATOM 1477 O GLN A 92 2.686 -6.899 -12.942 1.00 0.00 O ATOM 1478 CB GLN A 92 1.865 -8.618 -10.616 1.00 0.00 C ATOM 1479 CG GLN A 92 2.933 -9.529 -10.003 1.00 0.00 C ATOM 1480 CD GLN A 92 4.191 -9.654 -10.844 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.148 -9.595 -12.072 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.316 -9.820 -10.183 1.00 0.00 N ATOM 0 H GLN A 92 0.230 -6.741 -11.147 1.00 0.00 H new ATOM 0 HA GLN A 92 2.759 -6.904 -9.688 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.930 -8.761 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.688 -8.930 -11.645 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.202 -9.146 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.508 -10.521 -9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.307 -9.864 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.197 -9.905 -10.689 1.00 0.00 H new ATOM 1491 N GLU A 93 4.314 -6.335 -11.488 1.00 0.00 N ATOM 1492 CA GLU A 93 5.278 -5.964 -12.502 1.00 0.00 C ATOM 1493 C GLU A 93 6.542 -5.464 -11.830 1.00 0.00 C ATOM 1494 O GLU A 93 6.491 -4.905 -10.732 1.00 0.00 O ATOM 1495 CB GLU A 93 4.712 -4.890 -13.443 1.00 0.00 C ATOM 1496 CG GLU A 93 5.578 -4.623 -14.656 1.00 0.00 C ATOM 1497 CD GLU A 93 5.883 -5.891 -15.430 1.00 0.00 C ATOM 1498 OE1 GLU A 93 5.030 -6.328 -16.233 1.00 0.00 O ATOM 1499 OE2 GLU A 93 6.979 -6.464 -15.232 1.00 0.00 O ATOM 0 H GLU A 93 4.655 -6.225 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 93 5.506 -6.842 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.721 -5.198 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.587 -3.961 -12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.075 -3.912 -15.311 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.512 -4.159 -14.339 1.00 0.00 H new ATOM 1506 N GLN A 94 7.671 -5.659 -12.482 1.00 0.00 N ATOM 1507 CA GLN A 94 8.950 -5.271 -11.923 1.00 0.00 C ATOM 1508 C GLN A 94 9.036 -3.758 -11.708 1.00 0.00 C ATOM 1509 O GLN A 94 8.713 -2.963 -12.594 1.00 0.00 O ATOM 1510 CB GLN A 94 10.095 -5.748 -12.815 1.00 0.00 C ATOM 1511 CG GLN A 94 10.064 -5.184 -14.228 1.00 0.00 C ATOM 1512 CD GLN A 94 11.284 -5.567 -15.039 1.00 0.00 C ATOM 1513 OE1 GLN A 94 11.848 -6.723 -14.763 1.00 0.00 O flip ATOM 1514 NE2 GLN A 94 11.717 -4.819 -15.913 1.00 0.00 N flip ATOM 0 H GLN A 94 7.728 -6.087 -13.406 1.00 0.00 H new ATOM 0 HA GLN A 94 9.041 -5.751 -10.949 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.042 -5.476 -12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.068 -6.836 -12.870 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.168 -5.540 -14.737 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.992 -4.097 -14.179 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.253 -3.930 -16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.540 -5.087 -16.452 1.00 0.00 H new ATOM 1523 N THR A 95 9.452 -3.366 -10.520 1.00 0.00 N ATOM 1524 CA THR A 95 9.608 -1.967 -10.181 1.00 0.00 C ATOM 1525 C THR A 95 11.070 -1.691 -9.804 1.00 0.00 C ATOM 1526 O THR A 95 11.384 -0.772 -9.039 1.00 0.00 O ATOM 1527 CB THR A 95 8.654 -1.568 -9.016 1.00 0.00 C ATOM 1528 OG1 THR A 95 8.711 -0.153 -8.791 1.00 0.00 O ATOM 1529 CG2 THR A 95 9.010 -2.308 -7.730 1.00 0.00 C ATOM 0 H THR A 95 9.691 -4.008 -9.764 1.00 0.00 H new ATOM 0 HA THR A 95 9.343 -1.362 -11.048 1.00 0.00 H new ATOM 0 HB THR A 95 7.641 -1.849 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.647 0.136 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.326 -2.008 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.927 -3.382 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.032 -2.063 -7.440 1.00 0.00 H new ATOM 1537 N GLY A 96 11.962 -2.480 -10.381 1.00 0.00 N ATOM 1538 CA GLY A 96 13.369 -2.356 -10.089 1.00 0.00 C ATOM 1539 C GLY A 96 13.858 -3.471 -9.195 1.00 0.00 C ATOM 1540 O GLY A 96 14.149 -3.258 -8.010 1.00 0.00 O ATOM 0 H GLY A 96 11.730 -3.211 -11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.935 -2.362 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.557 -1.396 -9.608 1.00 0.00 H new ATOM 1544 N GLY A 97 13.945 -4.666 -9.746 1.00 0.00 N ATOM 1545 CA GLY A 97 14.393 -5.804 -8.987 1.00 0.00 C ATOM 1546 C GLY A 97 14.909 -6.896 -9.889 1.00 0.00 C ATOM 1547 O GLY A 97 15.799 -7.657 -9.468 1.00 0.00 O ATOM 1548 OXT GLY A 97 14.426 -6.995 -11.036 1.00 0.00 O ATOM 0 H GLY A 97 13.710 -4.868 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.180 -5.497 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.571 -6.187 -8.382 1.00 0.00 H new TER 1552 GLY A 97