USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 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 29 GLN :FLIP amide:sc= 0.927 F(o=-2.1,f=0.89) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.0323 K(o=0.89,f=-2.1) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.884 K(o=-2.6,f=-9.2!) USER MOD Set 2.2: A 61 SER OG : rot 26:sc= -1.68! USER MOD Set 3.1: A 48 LYS NZ :NH3+ 178:sc= -0.0594 (180deg=-0.0404) USER MOD Set 3.2: A 52 CYS SG : rot 83:sc= -3.07! USER MOD Set 3.3: A 59 MET CE :methyl 146:sc= -1.03 (180deg=-1.58) USER MOD Set 4.1: A 42 THR OG1 : rot 140:sc= -0.796 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 21 TYR OH : rot -5:sc= 1.45 USER MOD Set 5.2: A 37 LYS NZ :NH3+ -176:sc= 0.81 (180deg=0) USER MOD Set 6.1: A 1 MET N :NH3+ 146:sc= 0.379 (180deg=0.899) USER MOD Set 6.2: A 4 GLN : amide:sc= -1.13 K(o=0.52,f=-0.61!) USER MOD Set 6.3: A 45 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.21) USER MOD Set 7.1: A 1 MET CE :methyl -120:sc= -0.967 (180deg=-0.735) USER MOD Set 7.2: A 74 ASN : amide:sc= -3 X(o=-4,f=-4!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -33:sc= 1.09 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.011) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0114 (180deg=-0.147) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0.821 (180deg=0.811) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.07) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.94) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -171:sc= -2.85 (180deg=-3.2) USER MOD Single : A 41 THR OG1 : rot -37:sc= 1 USER MOD Single : A 43 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 23:sc= -3.11 USER MOD Single : A 53 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.34) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.75 F(o=-3!,f=-0.75) USER MOD Single : A 69 GLN : amide:sc= -3.66! C(o=-3.7!,f=-3.5!) USER MOD Single : A 75 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 156:sc= -0.798 (180deg=-1.82) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.683 5.881 -4.810 1.00 0.00 N ATOM 2 CA MET A 1 13.781 5.026 -5.610 1.00 0.00 C ATOM 3 C MET A 1 14.107 3.547 -5.414 1.00 0.00 C ATOM 4 O MET A 1 13.504 2.865 -4.595 1.00 0.00 O ATOM 5 CB MET A 1 13.858 5.390 -7.097 1.00 0.00 C ATOM 6 CG MET A 1 13.504 6.834 -7.402 1.00 0.00 C ATOM 7 SD MET A 1 13.525 7.203 -9.166 1.00 0.00 S ATOM 8 CE MET A 1 12.247 6.098 -9.769 1.00 0.00 C ATOM 0 H1 MET A 1 14.869 6.766 -5.324 1.00 0.00 H new ATOM 0 H2 MET A 1 14.236 6.098 -3.897 1.00 0.00 H new ATOM 0 H3 MET A 1 15.580 5.381 -4.646 1.00 0.00 H new ATOM 0 HA MET A 1 12.764 5.204 -5.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.868 5.191 -7.457 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.187 4.737 -7.655 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.514 7.052 -7.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.207 7.491 -6.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.676 5.408 -10.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.830 5.534 -8.935 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.457 6.680 -10.244 1.00 0.00 H new ATOM 18 N SER A 2 15.095 3.065 -6.139 1.00 0.00 N ATOM 19 CA SER A 2 15.488 1.657 -6.087 1.00 0.00 C ATOM 20 C SER A 2 16.754 1.498 -5.276 1.00 0.00 C ATOM 21 O SER A 2 17.305 0.406 -5.140 1.00 0.00 O ATOM 22 CB SER A 2 15.729 1.147 -7.493 1.00 0.00 C ATOM 23 OG SER A 2 14.573 1.321 -8.299 1.00 0.00 O ATOM 0 H SER A 2 15.651 3.629 -6.781 1.00 0.00 H new ATOM 0 HA SER A 2 14.688 1.085 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.571 1.678 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.999 0.092 -7.460 1.00 0.00 H new ATOM 0 HG SER A 2 14.751 0.987 -9.203 1.00 0.00 H new ATOM 29 N ASP A 3 17.207 2.593 -4.729 1.00 0.00 N ATOM 30 CA ASP A 3 18.427 2.640 -3.948 1.00 0.00 C ATOM 31 C ASP A 3 18.122 2.296 -2.499 1.00 0.00 C ATOM 32 O ASP A 3 18.665 2.897 -1.568 1.00 0.00 O ATOM 33 CB ASP A 3 19.028 4.043 -4.038 1.00 0.00 C ATOM 34 CG ASP A 3 18.409 4.868 -5.148 1.00 0.00 C ATOM 35 OD1 ASP A 3 17.267 5.356 -4.968 1.00 0.00 O ATOM 36 OD2 ASP A 3 19.038 5.021 -6.211 1.00 0.00 O ATOM 0 H ASP A 3 16.737 3.494 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 3 19.141 1.915 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 3 18.888 4.556 -3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.103 3.965 -4.203 1.00 0.00 H new ATOM 41 N GLN A 4 17.268 1.303 -2.311 1.00 0.00 N ATOM 42 CA GLN A 4 16.815 0.902 -0.999 1.00 0.00 C ATOM 43 C GLN A 4 16.157 -0.466 -1.079 1.00 0.00 C ATOM 44 O GLN A 4 15.622 -0.848 -2.121 1.00 0.00 O ATOM 45 CB GLN A 4 15.818 1.930 -0.469 1.00 0.00 C ATOM 46 CG GLN A 4 14.588 2.079 -1.347 1.00 0.00 C ATOM 47 CD GLN A 4 13.936 3.423 -1.203 1.00 0.00 C ATOM 48 OE1 GLN A 4 13.058 3.615 -0.370 1.00 0.00 O ATOM 49 NE2 GLN A 4 14.377 4.369 -2.006 1.00 0.00 N ATOM 0 H GLN A 4 16.870 0.752 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 4 17.667 0.846 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 4 15.507 1.641 0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.314 2.897 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 4 14.869 1.925 -2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.868 1.301 -1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.110 4.162 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.985 5.309 -1.950 1.00 0.00 H new ATOM 58 N GLU A 5 16.205 -1.203 0.011 1.00 0.00 N ATOM 59 CA GLU A 5 15.609 -2.523 0.086 1.00 0.00 C ATOM 60 C GLU A 5 15.631 -2.988 1.524 1.00 0.00 C ATOM 61 O GLU A 5 16.092 -2.263 2.412 1.00 0.00 O ATOM 62 CB GLU A 5 16.392 -3.521 -0.778 1.00 0.00 C ATOM 63 CG GLU A 5 17.794 -3.813 -0.255 1.00 0.00 C ATOM 64 CD GLU A 5 18.510 -4.868 -1.057 1.00 0.00 C ATOM 65 OE1 GLU A 5 18.227 -6.070 -0.863 1.00 0.00 O ATOM 66 OE2 GLU A 5 19.370 -4.509 -1.885 1.00 0.00 O ATOM 0 H GLU A 5 16.660 -0.904 0.874 1.00 0.00 H new ATOM 0 HA GLU A 5 14.585 -2.471 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.833 -4.455 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.466 -3.130 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.380 -2.894 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.729 -4.135 0.784 1.00 0.00 H new ATOM 73 N ALA A 6 15.148 -4.185 1.769 1.00 0.00 N ATOM 74 CA ALA A 6 15.216 -4.747 3.091 1.00 0.00 C ATOM 75 C ALA A 6 16.563 -5.398 3.270 1.00 0.00 C ATOM 76 O ALA A 6 16.963 -6.267 2.486 1.00 0.00 O ATOM 77 CB ALA A 6 14.113 -5.752 3.317 1.00 0.00 C ATOM 0 H ALA A 6 14.706 -4.783 1.071 1.00 0.00 H new ATOM 0 HA ALA A 6 15.086 -3.951 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.192 -6.158 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.146 -5.264 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.203 -6.561 2.592 1.00 0.00 H new ATOM 83 N LYS A 7 17.265 -5.002 4.291 1.00 0.00 N ATOM 84 CA LYS A 7 18.594 -5.489 4.519 1.00 0.00 C ATOM 85 C LYS A 7 18.643 -6.294 5.793 1.00 0.00 C ATOM 86 O LYS A 7 17.873 -6.037 6.718 1.00 0.00 O ATOM 87 CB LYS A 7 19.591 -4.322 4.574 1.00 0.00 C ATOM 88 CG LYS A 7 19.230 -3.245 5.596 1.00 0.00 C ATOM 89 CD LYS A 7 20.252 -2.115 5.609 1.00 0.00 C ATOM 90 CE LYS A 7 21.605 -2.585 6.123 1.00 0.00 C ATOM 91 NZ LYS A 7 22.602 -1.489 6.129 1.00 0.00 N ATOM 0 H LYS A 7 16.934 -4.334 4.987 1.00 0.00 H new ATOM 0 HA LYS A 7 18.876 -6.139 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.581 -4.714 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.655 -3.865 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.244 -2.841 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.168 -3.691 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.365 -1.715 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.887 -1.302 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.493 -2.980 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.967 -3.402 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 23.511 -1.848 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.728 -1.129 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.269 -0.720 6.744 1.00 0.00 H new ATOM 105 N PRO A 8 19.537 -7.280 5.858 1.00 0.00 N ATOM 106 CA PRO A 8 19.678 -8.124 7.032 1.00 0.00 C ATOM 107 C PRO A 8 20.046 -7.309 8.257 1.00 0.00 C ATOM 108 O PRO A 8 20.770 -6.309 8.155 1.00 0.00 O ATOM 109 CB PRO A 8 20.812 -9.090 6.663 1.00 0.00 C ATOM 110 CG PRO A 8 21.520 -8.440 5.528 1.00 0.00 C ATOM 111 CD PRO A 8 20.483 -7.647 4.795 1.00 0.00 C ATOM 0 HA PRO A 8 18.750 -8.637 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.483 -9.251 7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 8 20.421 -10.066 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 8 22.323 -7.796 5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.976 -9.184 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.912 -6.767 4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.003 -8.235 4.013 1.00 0.00 H new ATOM 119 N SER A 9 19.533 -7.721 9.416 1.00 0.00 N ATOM 120 CA SER A 9 19.758 -7.013 10.664 1.00 0.00 C ATOM 121 C SER A 9 19.111 -5.637 10.595 1.00 0.00 C ATOM 122 O SER A 9 19.760 -4.605 10.799 1.00 0.00 O ATOM 123 CB SER A 9 21.251 -6.898 10.961 1.00 0.00 C ATOM 124 OG SER A 9 21.870 -8.178 10.961 1.00 0.00 O ATOM 0 H SER A 9 18.952 -8.554 9.510 1.00 0.00 H new ATOM 0 HA SER A 9 19.302 -7.577 11.478 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.726 -6.260 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 9 21.397 -6.419 11.929 1.00 0.00 H new ATOM 0 HG SER A 9 22.826 -8.079 11.152 1.00 0.00 H new ATOM 130 N THR A 10 17.825 -5.625 10.292 1.00 0.00 N ATOM 131 CA THR A 10 17.066 -4.405 10.160 1.00 0.00 C ATOM 132 C THR A 10 16.848 -3.770 11.532 1.00 0.00 C ATOM 133 O THR A 10 16.528 -4.461 12.505 1.00 0.00 O ATOM 134 CB THR A 10 15.691 -4.711 9.527 1.00 0.00 C ATOM 135 OG1 THR A 10 15.851 -5.639 8.442 1.00 0.00 O ATOM 136 CG2 THR A 10 15.029 -3.445 9.007 1.00 0.00 C ATOM 0 H THR A 10 17.279 -6.471 10.130 1.00 0.00 H new ATOM 0 HA THR A 10 17.622 -3.716 9.524 1.00 0.00 H new ATOM 0 HB THR A 10 15.055 -5.143 10.299 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.712 -5.481 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.063 -3.694 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.884 -2.746 9.830 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.665 -2.987 8.250 1.00 0.00 H new ATOM 144 N GLU A 11 17.025 -2.465 11.617 1.00 0.00 N ATOM 145 CA GLU A 11 16.836 -1.756 12.863 1.00 0.00 C ATOM 146 C GLU A 11 16.090 -0.448 12.625 1.00 0.00 C ATOM 147 O GLU A 11 16.683 0.567 12.244 1.00 0.00 O ATOM 148 CB GLU A 11 18.179 -1.479 13.539 1.00 0.00 C ATOM 149 CG GLU A 11 18.052 -0.801 14.893 1.00 0.00 C ATOM 150 CD GLU A 11 19.387 -0.382 15.458 1.00 0.00 C ATOM 151 OE1 GLU A 11 19.889 0.695 15.067 1.00 0.00 O ATOM 152 OE2 GLU A 11 19.948 -1.122 16.294 1.00 0.00 O ATOM 0 H GLU A 11 17.301 -1.874 10.832 1.00 0.00 H new ATOM 0 HA GLU A 11 16.240 -2.386 13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.715 -2.420 13.662 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.783 -0.852 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.410 0.075 14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.563 -1.480 15.591 1.00 0.00 H new ATOM 159 N ASP A 12 14.792 -0.472 12.833 1.00 0.00 N ATOM 160 CA ASP A 12 13.959 0.710 12.660 1.00 0.00 C ATOM 161 C ASP A 12 13.159 0.968 13.910 1.00 0.00 C ATOM 162 O ASP A 12 12.464 0.081 14.412 1.00 0.00 O ATOM 163 CB ASP A 12 13.027 0.568 11.454 1.00 0.00 C ATOM 164 CG ASP A 12 13.725 0.850 10.141 1.00 0.00 C ATOM 165 OD1 ASP A 12 13.726 2.019 9.706 1.00 0.00 O ATOM 166 OD2 ASP A 12 14.266 -0.092 9.532 1.00 0.00 O ATOM 0 H ASP A 12 14.281 -1.305 13.126 1.00 0.00 H new ATOM 0 HA ASP A 12 14.617 1.559 12.474 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.617 -0.442 11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.185 1.251 11.568 1.00 0.00 H new ATOM 171 N LEU A 13 13.251 2.177 14.424 1.00 0.00 N ATOM 172 CA LEU A 13 12.584 2.524 15.655 1.00 0.00 C ATOM 173 C LEU A 13 11.261 3.203 15.389 1.00 0.00 C ATOM 174 O LEU A 13 11.119 3.997 14.455 1.00 0.00 O ATOM 175 CB LEU A 13 13.464 3.434 16.499 1.00 0.00 C ATOM 176 CG LEU A 13 14.892 2.949 16.746 1.00 0.00 C ATOM 177 CD1 LEU A 13 15.617 3.917 17.649 1.00 0.00 C ATOM 178 CD2 LEU A 13 14.902 1.549 17.345 1.00 0.00 C ATOM 0 H LEU A 13 13.785 2.937 14.003 1.00 0.00 H new ATOM 0 HA LEU A 13 12.395 1.599 16.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.512 4.410 16.015 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.980 3.580 17.464 1.00 0.00 H new ATOM 0 HG LEU A 13 15.409 2.904 15.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.634 3.563 17.820 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.649 4.900 17.178 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.093 3.988 18.602 1.00 0.00 H new ATOM 0 HD21 LEU A 13 15.932 1.231 17.510 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.368 1.556 18.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.414 0.856 16.660 1.00 0.00 H new ATOM 190 N GLY A 14 10.291 2.899 16.210 1.00 0.00 N ATOM 191 CA GLY A 14 8.987 3.491 16.073 1.00 0.00 C ATOM 192 C GLY A 14 8.634 4.323 17.276 1.00 0.00 C ATOM 193 O GLY A 14 7.653 4.062 17.966 1.00 0.00 O ATOM 0 H GLY A 14 10.380 2.241 16.985 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.960 4.113 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.242 2.707 15.939 1.00 0.00 H new ATOM 197 N ASP A 15 9.437 5.335 17.524 1.00 0.00 N ATOM 198 CA ASP A 15 9.237 6.214 18.671 1.00 0.00 C ATOM 199 C ASP A 15 8.420 7.420 18.279 1.00 0.00 C ATOM 200 O ASP A 15 8.205 8.346 19.063 1.00 0.00 O ATOM 201 CB ASP A 15 10.572 6.633 19.279 1.00 0.00 C ATOM 202 CG ASP A 15 11.330 5.458 19.853 1.00 0.00 C ATOM 203 OD1 ASP A 15 10.871 4.882 20.859 1.00 0.00 O ATOM 204 OD2 ASP A 15 12.383 5.095 19.296 1.00 0.00 O ATOM 0 H ASP A 15 10.242 5.576 16.946 1.00 0.00 H new ATOM 0 HA ASP A 15 8.685 5.661 19.431 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.181 7.119 18.516 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.397 7.369 20.064 1.00 0.00 H new ATOM 209 N LYS A 16 7.953 7.401 17.063 1.00 0.00 N ATOM 210 CA LYS A 16 7.129 8.461 16.539 1.00 0.00 C ATOM 211 C LYS A 16 5.704 7.971 16.444 1.00 0.00 C ATOM 212 O LYS A 16 5.450 6.845 16.013 1.00 0.00 O ATOM 213 CB LYS A 16 7.635 8.943 15.165 1.00 0.00 C ATOM 214 CG LYS A 16 8.957 9.722 15.212 1.00 0.00 C ATOM 215 CD LYS A 16 10.133 8.836 15.611 1.00 0.00 C ATOM 216 CE LYS A 16 11.372 9.657 15.939 1.00 0.00 C ATOM 217 NZ LYS A 16 11.859 10.433 14.776 1.00 0.00 N ATOM 0 H LYS A 16 8.133 6.646 16.401 1.00 0.00 H new ATOM 0 HA LYS A 16 7.179 9.315 17.214 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.760 8.078 14.514 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.871 9.575 14.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.152 10.163 14.235 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.867 10.545 15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.857 8.233 16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.359 8.145 14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.146 10.339 16.759 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.163 8.993 16.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.750 10.908 15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.020 9.791 13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.149 11.146 14.512 1.00 0.00 H new ATOM 231 N LYS A 17 4.772 8.797 16.849 1.00 0.00 N ATOM 232 CA LYS A 17 3.380 8.402 16.884 1.00 0.00 C ATOM 233 C LYS A 17 2.620 8.833 15.644 1.00 0.00 C ATOM 234 O LYS A 17 3.205 9.274 14.649 1.00 0.00 O ATOM 235 CB LYS A 17 2.710 8.929 18.151 1.00 0.00 C ATOM 236 CG LYS A 17 2.712 7.929 19.291 1.00 0.00 C ATOM 237 CD LYS A 17 1.814 6.741 18.977 1.00 0.00 C ATOM 238 CE LYS A 17 1.828 5.716 20.097 1.00 0.00 C ATOM 239 NZ LYS A 17 3.167 5.091 20.268 1.00 0.00 N ATOM 0 H LYS A 17 4.950 9.752 17.161 1.00 0.00 H new ATOM 0 HA LYS A 17 3.353 7.312 16.898 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.220 9.837 18.473 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.681 9.206 17.921 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.729 7.582 19.473 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.372 8.414 20.206 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.794 7.089 18.814 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.142 6.272 18.050 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.530 6.195 21.030 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.091 4.941 19.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.090 4.274 20.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.523 4.775 19.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.826 5.787 20.673 1.00 0.00 H new ATOM 253 N GLU A 18 1.307 8.715 15.713 1.00 0.00 N ATOM 254 CA GLU A 18 0.441 9.021 14.598 1.00 0.00 C ATOM 255 C GLU A 18 0.010 10.485 14.621 1.00 0.00 C ATOM 256 O GLU A 18 0.553 11.297 15.374 1.00 0.00 O ATOM 257 CB GLU A 18 -0.780 8.111 14.632 1.00 0.00 C ATOM 258 CG GLU A 18 -1.561 8.179 15.935 1.00 0.00 C ATOM 259 CD GLU A 18 -2.827 7.370 15.887 1.00 0.00 C ATOM 260 OE1 GLU A 18 -2.739 6.122 15.897 1.00 0.00 O ATOM 261 OE2 GLU A 18 -3.925 7.973 15.847 1.00 0.00 O ATOM 0 H GLU A 18 0.813 8.403 16.549 1.00 0.00 H new ATOM 0 HA GLU A 18 0.994 8.850 13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.442 8.377 13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.460 7.083 14.465 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.934 7.819 16.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.805 9.218 16.155 1.00 0.00 H new ATOM 268 N GLY A 19 -0.985 10.814 13.818 1.00 0.00 N ATOM 269 CA GLY A 19 -1.443 12.173 13.710 1.00 0.00 C ATOM 270 C GLY A 19 -1.247 12.715 12.314 1.00 0.00 C ATOM 271 O GLY A 19 -0.169 12.567 11.737 1.00 0.00 O ATOM 0 H GLY A 19 -1.489 10.149 13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.499 12.224 13.976 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.904 12.797 14.423 1.00 0.00 H new ATOM 275 N GLU A 20 -2.305 13.304 11.745 1.00 0.00 N ATOM 276 CA GLU A 20 -2.259 13.899 10.399 1.00 0.00 C ATOM 277 C GLU A 20 -2.155 12.819 9.328 1.00 0.00 C ATOM 278 O GLU A 20 -1.535 13.021 8.279 1.00 0.00 O ATOM 279 CB GLU A 20 -1.089 14.894 10.255 1.00 0.00 C ATOM 280 CG GLU A 20 -1.344 16.275 10.839 1.00 0.00 C ATOM 281 CD GLU A 20 -1.343 16.302 12.346 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.256 16.474 12.936 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.426 16.170 12.950 1.00 0.00 O ATOM 0 H GLU A 20 -3.215 13.383 12.200 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.191 14.447 10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.209 14.469 10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.852 15.002 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.582 16.962 10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.305 16.641 10.478 1.00 0.00 H new ATOM 290 N TYR A 21 -2.781 11.683 9.569 1.00 0.00 N ATOM 291 CA TYR A 21 -2.703 10.579 8.634 1.00 0.00 C ATOM 292 C TYR A 21 -4.075 10.161 8.144 1.00 0.00 C ATOM 293 O TYR A 21 -5.100 10.506 8.729 1.00 0.00 O ATOM 294 CB TYR A 21 -2.006 9.372 9.273 1.00 0.00 C ATOM 295 CG TYR A 21 -2.817 8.716 10.370 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.753 9.180 11.664 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.649 7.635 10.101 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.489 8.593 12.672 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.390 7.042 11.102 1.00 0.00 C ATOM 300 CZ TYR A 21 -4.304 7.524 12.387 1.00 0.00 C ATOM 301 OH TYR A 21 -5.030 6.930 13.399 1.00 0.00 O ATOM 0 H TYR A 21 -3.346 11.502 10.399 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.120 10.927 7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.793 8.634 8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.047 9.691 9.682 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.114 10.020 11.895 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.716 7.254 9.093 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.425 8.972 13.681 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.034 6.204 10.878 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.788 7.336 14.257 1.00 0.00 H new ATOM 311 N ILE A 22 -4.077 9.410 7.073 1.00 0.00 N ATOM 312 CA ILE A 22 -5.284 8.863 6.508 1.00 0.00 C ATOM 313 C ILE A 22 -5.206 7.353 6.498 1.00 0.00 C ATOM 314 O ILE A 22 -4.176 6.761 6.818 1.00 0.00 O ATOM 315 CB ILE A 22 -5.562 9.376 5.073 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.532 8.820 4.092 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.576 10.900 5.042 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.775 9.224 2.654 1.00 0.00 C ATOM 0 H ILE A 22 -3.231 9.158 6.562 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.109 9.198 7.137 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.546 9.021 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.540 9.158 4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.532 7.732 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.773 11.241 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.356 11.270 5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.609 11.280 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.002 8.791 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.752 8.862 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.745 10.310 2.571 1.00 0.00 H new ATOM 330 N LYS A 23 -6.285 6.727 6.158 1.00 0.00 N ATOM 331 CA LYS A 23 -6.341 5.289 6.128 1.00 0.00 C ATOM 332 C LYS A 23 -6.612 4.840 4.716 1.00 0.00 C ATOM 333 O LYS A 23 -7.220 5.562 3.954 1.00 0.00 O ATOM 334 CB LYS A 23 -7.455 4.758 7.057 1.00 0.00 C ATOM 335 CG LYS A 23 -7.416 5.293 8.494 1.00 0.00 C ATOM 336 CD LYS A 23 -7.999 6.709 8.614 1.00 0.00 C ATOM 337 CE LYS A 23 -9.469 6.776 8.202 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.334 5.870 9.005 1.00 0.00 N ATOM 0 H LYS A 23 -7.154 7.190 5.893 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.387 4.894 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.421 5.008 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.392 3.670 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.973 4.618 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.385 5.297 8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.898 7.054 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.420 7.391 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.825 7.801 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.558 6.516 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.328 6.005 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.058 4.882 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.222 6.088 10.016 1.00 0.00 H new ATOM 352 N LEU A 24 -6.117 3.698 4.342 1.00 0.00 N ATOM 353 CA LEU A 24 -6.425 3.156 3.031 1.00 0.00 C ATOM 354 C LEU A 24 -6.602 1.661 3.080 1.00 0.00 C ATOM 355 O LEU A 24 -6.127 0.984 4.004 1.00 0.00 O ATOM 356 CB LEU A 24 -5.369 3.544 1.989 1.00 0.00 C ATOM 357 CG LEU A 24 -5.418 4.987 1.487 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.213 5.761 1.976 1.00 0.00 C ATOM 359 CD2 LEU A 24 -5.500 5.023 -0.029 1.00 0.00 C ATOM 0 H LEU A 24 -5.502 3.119 4.914 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.372 3.599 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.383 3.363 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.472 2.879 1.132 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.314 5.460 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.265 6.786 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.202 5.766 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.303 5.289 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.534 6.059 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.624 4.532 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.401 4.505 -0.357 1.00 0.00 H new ATOM 371 N LYS A 25 -7.294 1.139 2.094 1.00 0.00 N ATOM 372 CA LYS A 25 -7.541 -0.273 2.011 1.00 0.00 C ATOM 373 C LYS A 25 -7.157 -0.790 0.648 1.00 0.00 C ATOM 374 O LYS A 25 -7.345 -0.124 -0.363 1.00 0.00 O ATOM 375 CB LYS A 25 -9.009 -0.585 2.329 1.00 0.00 C ATOM 376 CG LYS A 25 -9.332 -2.078 2.413 1.00 0.00 C ATOM 377 CD LYS A 25 -9.844 -2.638 1.092 1.00 0.00 C ATOM 378 CE LYS A 25 -11.193 -2.048 0.701 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.294 -2.518 1.578 1.00 0.00 N ATOM 0 H LYS A 25 -7.698 1.683 1.332 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.925 -0.781 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.271 -0.115 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.639 -0.132 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.438 -2.624 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.081 -2.242 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.118 -2.432 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.932 -3.722 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.137 -0.960 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.417 -2.314 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.199 -2.143 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.324 -3.558 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.131 -2.184 2.549 1.00 0.00 H new ATOM 393 N VAL A 26 -6.599 -1.967 0.622 1.00 0.00 N ATOM 394 CA VAL A 26 -6.171 -2.573 -0.615 1.00 0.00 C ATOM 395 C VAL A 26 -6.998 -3.792 -0.943 1.00 0.00 C ATOM 396 O VAL A 26 -7.395 -4.546 -0.054 1.00 0.00 O ATOM 397 CB VAL A 26 -4.649 -2.940 -0.566 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.361 -4.308 -1.187 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.837 -1.874 -1.270 1.00 0.00 C ATOM 0 H VAL A 26 -6.427 -2.535 1.452 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.321 -1.839 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.362 -2.991 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.293 -4.516 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.911 -5.077 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.674 -4.307 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.780 -2.137 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.155 -1.802 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.990 -0.914 -0.776 1.00 0.00 H new ATOM 409 N ILE A 27 -7.282 -3.971 -2.214 1.00 0.00 N ATOM 410 CA ILE A 27 -7.941 -5.156 -2.674 1.00 0.00 C ATOM 411 C ILE A 27 -6.896 -6.008 -3.326 1.00 0.00 C ATOM 412 O ILE A 27 -6.323 -5.628 -4.342 1.00 0.00 O ATOM 413 CB ILE A 27 -9.068 -4.870 -3.693 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.170 -4.014 -3.056 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.645 -6.185 -4.223 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.884 -4.687 -1.905 1.00 0.00 C ATOM 0 H ILE A 27 -7.061 -3.298 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.414 -5.645 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.647 -4.312 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.732 -3.081 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.901 -3.753 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.438 -5.972 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.857 -6.757 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.052 -6.764 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.648 -4.018 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.353 -5.606 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.166 -4.923 -1.120 1.00 0.00 H new ATOM 428 N GLY A 28 -6.637 -7.146 -2.761 1.00 0.00 N ATOM 429 CA GLY A 28 -5.598 -7.973 -3.270 1.00 0.00 C ATOM 430 C GLY A 28 -6.096 -8.849 -4.368 1.00 0.00 C ATOM 431 O GLY A 28 -7.300 -9.052 -4.510 1.00 0.00 O ATOM 0 H GLY A 28 -7.131 -7.519 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.782 -7.351 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.192 -8.588 -2.467 1.00 0.00 H new ATOM 435 N GLN A 29 -5.191 -9.375 -5.158 1.00 0.00 N ATOM 436 CA GLN A 29 -5.541 -10.303 -6.218 1.00 0.00 C ATOM 437 C GLN A 29 -6.244 -11.536 -5.658 1.00 0.00 C ATOM 438 O GLN A 29 -7.001 -12.208 -6.348 1.00 0.00 O ATOM 439 CB GLN A 29 -4.303 -10.710 -7.037 1.00 0.00 C ATOM 440 CG GLN A 29 -2.937 -10.605 -6.321 1.00 0.00 C ATOM 441 CD GLN A 29 -2.854 -11.350 -4.978 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.911 -10.615 -3.876 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -2.661 -12.553 -4.936 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.193 -9.176 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.233 -9.790 -6.887 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.436 -11.740 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.267 -10.090 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.164 -10.993 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.712 -9.552 -6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.622 -13.094 -5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.539 -13.019 -4.037 1.00 0.00 H new ATOM 452 N ASP A 30 -5.992 -11.815 -4.393 1.00 0.00 N ATOM 453 CA ASP A 30 -6.600 -12.938 -3.700 1.00 0.00 C ATOM 454 C ASP A 30 -7.824 -12.454 -2.905 1.00 0.00 C ATOM 455 O ASP A 30 -8.274 -13.101 -1.961 1.00 0.00 O ATOM 456 CB ASP A 30 -5.554 -13.560 -2.762 1.00 0.00 C ATOM 457 CG ASP A 30 -5.976 -14.888 -2.169 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.988 -15.895 -2.898 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.284 -14.935 -0.966 1.00 0.00 O ATOM 0 H ASP A 30 -5.357 -11.267 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.934 -13.689 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.623 -13.698 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.345 -12.861 -1.952 1.00 0.00 H new ATOM 464 N SER A 31 -8.352 -11.280 -3.298 1.00 0.00 N ATOM 465 CA SER A 31 -9.510 -10.660 -2.639 1.00 0.00 C ATOM 466 C SER A 31 -9.169 -10.285 -1.198 1.00 0.00 C ATOM 467 O SER A 31 -10.045 -10.038 -0.365 1.00 0.00 O ATOM 468 CB SER A 31 -10.731 -11.589 -2.698 1.00 0.00 C ATOM 469 OG SER A 31 -11.045 -11.917 -4.046 1.00 0.00 O ATOM 0 H SER A 31 -7.986 -10.737 -4.081 1.00 0.00 H new ATOM 0 HA SER A 31 -9.763 -9.745 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.530 -12.500 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.586 -11.105 -2.227 1.00 0.00 H new ATOM 0 HG SER A 31 -11.824 -12.511 -4.065 1.00 0.00 H new ATOM 475 N SER A 32 -7.880 -10.230 -0.923 1.00 0.00 N ATOM 476 CA SER A 32 -7.371 -9.905 0.389 1.00 0.00 C ATOM 477 C SER A 32 -7.476 -8.406 0.638 1.00 0.00 C ATOM 478 O SER A 32 -6.766 -7.613 0.022 1.00 0.00 O ATOM 479 CB SER A 32 -5.910 -10.359 0.494 1.00 0.00 C ATOM 480 OG SER A 32 -5.445 -10.314 1.828 1.00 0.00 O ATOM 0 H SER A 32 -7.152 -10.412 -1.614 1.00 0.00 H new ATOM 0 HA SER A 32 -7.964 -10.422 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.816 -11.375 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.285 -9.722 -0.131 1.00 0.00 H new ATOM 0 HG SER A 32 -4.512 -10.611 1.859 1.00 0.00 H new ATOM 486 N GLU A 33 -8.385 -8.012 1.511 1.00 0.00 N ATOM 487 CA GLU A 33 -8.549 -6.616 1.851 1.00 0.00 C ATOM 488 C GLU A 33 -7.611 -6.246 2.976 1.00 0.00 C ATOM 489 O GLU A 33 -7.782 -6.671 4.119 1.00 0.00 O ATOM 490 CB GLU A 33 -9.991 -6.322 2.250 1.00 0.00 C ATOM 491 CG GLU A 33 -11.002 -6.650 1.166 1.00 0.00 C ATOM 492 CD GLU A 33 -12.420 -6.336 1.576 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.801 -5.141 1.551 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.159 -7.275 1.922 1.00 0.00 O ATOM 0 H GLU A 33 -9.021 -8.644 1.997 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.308 -6.016 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.234 -6.892 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.079 -5.267 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.756 -6.089 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.927 -7.708 0.913 1.00 0.00 H new ATOM 501 N ILE A 34 -6.618 -5.464 2.659 1.00 0.00 N ATOM 502 CA ILE A 34 -5.633 -5.056 3.636 1.00 0.00 C ATOM 503 C ILE A 34 -5.940 -3.643 4.111 1.00 0.00 C ATOM 504 O ILE A 34 -6.320 -2.785 3.317 1.00 0.00 O ATOM 505 CB ILE A 34 -4.203 -5.104 3.042 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.937 -6.465 2.371 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.166 -4.835 4.125 1.00 0.00 C ATOM 508 CD1 ILE A 34 -4.009 -7.647 3.319 1.00 0.00 C ATOM 0 H ILE A 34 -6.464 -5.090 1.723 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.678 -5.748 4.477 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.123 -4.326 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.661 -6.611 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.950 -6.443 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.167 -4.873 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.337 -3.848 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.250 -5.591 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.810 -8.567 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.265 -7.527 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.003 -7.697 3.763 1.00 0.00 H new ATOM 520 N HIS A 35 -5.796 -3.396 5.399 1.00 0.00 N ATOM 521 CA HIS A 35 -6.058 -2.078 5.970 1.00 0.00 C ATOM 522 C HIS A 35 -4.775 -1.522 6.566 1.00 0.00 C ATOM 523 O HIS A 35 -4.062 -2.224 7.289 1.00 0.00 O ATOM 524 CB HIS A 35 -7.132 -2.152 7.067 1.00 0.00 C ATOM 525 CG HIS A 35 -8.521 -2.419 6.570 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.637 -1.838 7.123 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.972 -3.230 5.587 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.715 -2.282 6.509 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.340 -3.129 5.573 1.00 0.00 N ATOM 0 H HIS A 35 -5.496 -4.094 6.079 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.420 -1.427 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.857 -2.936 7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.133 -1.212 7.619 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.368 -3.843 4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.733 -1.999 6.735 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.965 -3.629 4.940 1.00 0.00 H new ATOM 538 N PHE A 36 -4.463 -0.281 6.259 1.00 0.00 N ATOM 539 CA PHE A 36 -3.240 0.344 6.752 1.00 0.00 C ATOM 540 C PHE A 36 -3.427 1.845 6.980 1.00 0.00 C ATOM 541 O PHE A 36 -4.383 2.455 6.484 1.00 0.00 O ATOM 542 CB PHE A 36 -2.079 0.076 5.780 1.00 0.00 C ATOM 543 CG PHE A 36 -2.523 -0.019 4.358 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.796 1.112 3.626 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.693 -1.256 3.761 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.228 1.011 2.324 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.126 -1.358 2.464 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.395 -0.222 1.747 1.00 0.00 C ATOM 0 H PHE A 36 -5.037 0.322 5.669 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.999 -0.101 7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.342 0.874 5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.582 -0.852 6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.671 2.086 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.482 -2.153 4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.436 1.905 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.254 -2.329 2.010 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.739 -0.297 0.726 1.00 0.00 H new ATOM 558 N LYS A 37 -2.505 2.437 7.726 1.00 0.00 N ATOM 559 CA LYS A 37 -2.557 3.857 8.047 1.00 0.00 C ATOM 560 C LYS A 37 -1.318 4.574 7.519 1.00 0.00 C ATOM 561 O LYS A 37 -0.193 4.257 7.909 1.00 0.00 O ATOM 562 CB LYS A 37 -2.649 4.062 9.561 1.00 0.00 C ATOM 563 CG LYS A 37 -3.910 3.509 10.204 1.00 0.00 C ATOM 564 CD LYS A 37 -3.924 3.803 11.697 1.00 0.00 C ATOM 565 CE LYS A 37 -5.290 3.543 12.306 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.370 4.032 13.707 1.00 0.00 N ATOM 0 H LYS A 37 -1.703 1.949 8.125 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.444 4.275 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.784 3.594 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.588 5.129 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.788 3.950 9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.967 2.433 10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.179 3.185 12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.642 4.842 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.056 4.034 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.502 2.474 12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.293 3.777 14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.613 3.596 14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.260 5.066 13.721 1.00 0.00 H new ATOM 580 N VAL A 38 -1.516 5.541 6.636 1.00 0.00 N ATOM 581 CA VAL A 38 -0.408 6.315 6.077 1.00 0.00 C ATOM 582 C VAL A 38 -0.786 7.790 5.987 1.00 0.00 C ATOM 583 O VAL A 38 -1.957 8.138 5.972 1.00 0.00 O ATOM 584 CB VAL A 38 0.021 5.817 4.663 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.527 4.380 4.709 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.122 5.950 3.672 1.00 0.00 C ATOM 0 H VAL A 38 -2.435 5.812 6.288 1.00 0.00 H new ATOM 0 HA VAL A 38 0.437 6.178 6.752 1.00 0.00 H new ATOM 0 HB VAL A 38 0.843 6.450 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.818 4.064 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.389 4.319 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.264 3.728 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.798 5.596 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.969 5.354 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.421 6.996 3.599 1.00 0.00 H new ATOM 596 N LYS A 39 0.196 8.662 5.938 1.00 0.00 N ATOM 597 CA LYS A 39 -0.080 10.088 5.831 1.00 0.00 C ATOM 598 C LYS A 39 -0.329 10.494 4.404 1.00 0.00 C ATOM 599 O LYS A 39 -0.243 9.687 3.485 1.00 0.00 O ATOM 600 CB LYS A 39 1.064 10.919 6.360 1.00 0.00 C ATOM 601 CG LYS A 39 1.287 10.826 7.838 1.00 0.00 C ATOM 602 CD LYS A 39 2.283 11.868 8.259 1.00 0.00 C ATOM 603 CE LYS A 39 1.656 13.250 8.333 1.00 0.00 C ATOM 604 NZ LYS A 39 2.607 14.262 8.855 1.00 0.00 N ATOM 0 H LYS A 39 1.186 8.418 5.970 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.972 10.269 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.979 10.616 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.885 11.962 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.346 10.971 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.651 9.833 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.696 11.604 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.114 11.883 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.317 13.548 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.775 13.215 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.141 15.191 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.911 13.991 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.436 14.314 8.230 1.00 0.00 H new ATOM 618 N MET A 40 -0.625 11.758 4.209 1.00 0.00 N ATOM 619 CA MET A 40 -0.847 12.289 2.875 1.00 0.00 C ATOM 620 C MET A 40 0.467 12.725 2.262 1.00 0.00 C ATOM 621 O MET A 40 0.668 12.641 1.051 1.00 0.00 O ATOM 622 CB MET A 40 -1.809 13.482 2.918 1.00 0.00 C ATOM 623 CG MET A 40 -3.239 13.124 3.286 1.00 0.00 C ATOM 624 SD MET A 40 -4.376 13.287 1.893 1.00 0.00 S ATOM 625 CE MET A 40 -3.621 12.183 0.707 1.00 0.00 C ATOM 0 H MET A 40 -0.719 12.444 4.958 1.00 0.00 H new ATOM 0 HA MET A 40 -1.289 11.501 2.266 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.433 14.210 3.637 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.809 13.968 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.269 12.099 3.657 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.573 13.768 4.100 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.113 12.295 -0.259 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.563 12.426 0.605 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.725 11.154 1.050 1.00 0.00 H new ATOM 635 N THR A 41 1.379 13.165 3.112 1.00 0.00 N ATOM 636 CA THR A 41 2.661 13.670 2.669 1.00 0.00 C ATOM 637 C THR A 41 3.758 12.599 2.796 1.00 0.00 C ATOM 638 O THR A 41 4.954 12.903 2.802 1.00 0.00 O ATOM 639 CB THR A 41 3.052 14.949 3.466 1.00 0.00 C ATOM 640 OG1 THR A 41 4.295 15.481 2.991 1.00 0.00 O ATOM 641 CG2 THR A 41 3.163 14.652 4.955 1.00 0.00 C ATOM 0 H THR A 41 1.250 13.181 4.124 1.00 0.00 H new ATOM 0 HA THR A 41 2.569 13.932 1.615 1.00 0.00 H new ATOM 0 HB THR A 41 2.264 15.687 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.895 14.745 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.437 15.562 5.488 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.205 14.289 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.927 13.892 5.118 1.00 0.00 H new ATOM 649 N THR A 42 3.352 11.341 2.876 1.00 0.00 N ATOM 650 CA THR A 42 4.304 10.248 2.970 1.00 0.00 C ATOM 651 C THR A 42 4.372 9.517 1.633 1.00 0.00 C ATOM 652 O THR A 42 3.627 9.836 0.702 1.00 0.00 O ATOM 653 CB THR A 42 3.930 9.250 4.102 1.00 0.00 C ATOM 654 OG1 THR A 42 5.025 8.363 4.361 1.00 0.00 O ATOM 655 CG2 THR A 42 2.704 8.431 3.725 1.00 0.00 C ATOM 0 H THR A 42 2.373 11.054 2.878 1.00 0.00 H new ATOM 0 HA THR A 42 5.279 10.670 3.214 1.00 0.00 H new ATOM 0 HB THR A 42 3.706 9.830 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.108 8.219 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.464 7.741 4.534 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.859 9.098 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.909 7.866 2.816 1.00 0.00 H new ATOM 663 N HIS A 43 5.252 8.545 1.525 1.00 0.00 N ATOM 664 CA HIS A 43 5.396 7.804 0.290 1.00 0.00 C ATOM 665 C HIS A 43 4.516 6.574 0.279 1.00 0.00 C ATOM 666 O HIS A 43 4.284 5.940 1.311 1.00 0.00 O ATOM 667 CB HIS A 43 6.846 7.399 0.052 1.00 0.00 C ATOM 668 CG HIS A 43 7.740 8.522 -0.356 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.103 8.483 -0.206 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.464 9.716 -0.929 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.626 9.597 -0.661 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.656 10.362 -1.108 1.00 0.00 N ATOM 0 H HIS A 43 5.877 8.250 2.275 1.00 0.00 H new ATOM 0 HA HIS A 43 5.081 8.467 -0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.240 6.950 0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.874 6.630 -0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.486 10.089 -1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.677 9.844 -0.667 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.773 11.287 -1.521 1.00 0.00 H new ATOM 681 N LEU A 44 4.046 6.224 -0.898 1.00 0.00 N ATOM 682 CA LEU A 44 3.199 5.056 -1.095 1.00 0.00 C ATOM 683 C LEU A 44 4.046 3.806 -1.007 1.00 0.00 C ATOM 684 O LEU A 44 3.537 2.693 -0.908 1.00 0.00 O ATOM 685 CB LEU A 44 2.537 5.127 -2.479 1.00 0.00 C ATOM 686 CG LEU A 44 1.012 4.993 -2.528 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.570 3.632 -2.041 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.354 6.082 -1.717 1.00 0.00 C ATOM 0 H LEU A 44 4.239 6.742 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 44 2.427 5.032 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.808 6.079 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.966 4.341 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 44 0.701 5.099 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.517 3.565 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.008 2.859 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.900 3.489 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.729 5.968 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.680 6.011 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.635 7.055 -2.119 1.00 0.00 H new ATOM 700 N LYS A 45 5.358 4.000 -1.040 1.00 0.00 N ATOM 701 CA LYS A 45 6.303 2.911 -0.997 1.00 0.00 C ATOM 702 C LYS A 45 6.117 2.048 0.239 1.00 0.00 C ATOM 703 O LYS A 45 6.091 0.830 0.137 1.00 0.00 O ATOM 704 CB LYS A 45 7.739 3.433 -1.100 1.00 0.00 C ATOM 705 CG LYS A 45 8.202 4.311 0.057 1.00 0.00 C ATOM 706 CD LYS A 45 8.969 3.504 1.102 1.00 0.00 C ATOM 707 CE LYS A 45 10.240 2.899 0.522 1.00 0.00 C ATOM 708 NZ LYS A 45 10.855 1.921 1.449 1.00 0.00 N ATOM 0 H LYS A 45 5.790 4.922 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 45 6.110 2.275 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.413 2.580 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.835 4.001 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.837 5.111 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.338 4.784 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.223 4.147 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.331 2.709 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.011 2.409 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.954 3.693 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.689 1.493 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.143 2.405 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.165 1.177 1.677 1.00 0.00 H new ATOM 722 N LYS A 46 5.951 2.676 1.404 1.00 0.00 N ATOM 723 CA LYS A 46 5.789 1.937 2.648 1.00 0.00 C ATOM 724 C LYS A 46 4.495 1.163 2.620 1.00 0.00 C ATOM 725 O LYS A 46 4.380 0.089 3.181 1.00 0.00 O ATOM 726 CB LYS A 46 5.768 2.889 3.849 1.00 0.00 C ATOM 727 CG LYS A 46 4.533 3.790 3.894 1.00 0.00 C ATOM 728 CD LYS A 46 4.381 4.474 5.234 1.00 0.00 C ATOM 729 CE LYS A 46 5.526 5.407 5.497 1.00 0.00 C ATOM 730 NZ LYS A 46 5.431 6.054 6.831 1.00 0.00 N ATOM 0 H LYS A 46 5.926 3.690 1.508 1.00 0.00 H new ATOM 0 HA LYS A 46 6.633 1.254 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.814 2.303 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.662 3.512 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.604 4.542 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.643 3.196 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.443 5.029 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.329 3.725 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.464 4.856 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.551 6.175 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.243 6.689 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.549 6.602 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.434 5.324 7.572 1.00 0.00 H new ATOM 744 N LEU A 47 3.525 1.724 1.945 1.00 0.00 N ATOM 745 CA LEU A 47 2.212 1.168 1.868 1.00 0.00 C ATOM 746 C LEU A 47 2.209 -0.098 1.007 1.00 0.00 C ATOM 747 O LEU A 47 1.725 -1.155 1.423 1.00 0.00 O ATOM 748 CB LEU A 47 1.271 2.234 1.291 1.00 0.00 C ATOM 749 CG LEU A 47 -0.228 1.925 1.256 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.015 3.222 1.123 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.575 0.990 0.099 1.00 0.00 C ATOM 0 H LEU A 47 3.634 2.596 1.427 1.00 0.00 H new ATOM 0 HA LEU A 47 1.870 0.879 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.410 3.149 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.592 2.447 0.271 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.494 1.425 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.082 2.999 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.799 3.868 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.729 3.728 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.646 0.790 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.296 1.459 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.031 0.053 0.213 1.00 0.00 H new ATOM 763 N LYS A 48 2.764 0.015 -0.197 1.00 0.00 N ATOM 764 CA LYS A 48 2.793 -1.097 -1.138 1.00 0.00 C ATOM 765 C LYS A 48 3.566 -2.286 -0.582 1.00 0.00 C ATOM 766 O LYS A 48 3.140 -3.433 -0.708 1.00 0.00 O ATOM 767 CB LYS A 48 3.315 -0.650 -2.527 1.00 0.00 C ATOM 768 CG LYS A 48 4.553 0.238 -2.484 1.00 0.00 C ATOM 769 CD LYS A 48 4.762 1.001 -3.795 1.00 0.00 C ATOM 770 CE LYS A 48 5.356 0.128 -4.887 1.00 0.00 C ATOM 771 NZ LYS A 48 6.793 -0.188 -4.646 1.00 0.00 N ATOM 0 H LYS A 48 3.201 0.869 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 48 1.766 -1.435 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.541 -1.537 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.519 -0.116 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.460 0.949 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.431 -0.375 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.807 1.403 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.420 1.851 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.789 -0.801 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.254 0.633 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.142 -0.813 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.346 0.693 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.894 -0.664 -3.727 1.00 0.00 H new ATOM 785 N GLU A 49 4.678 -2.017 0.072 1.00 0.00 N ATOM 786 CA GLU A 49 5.466 -3.084 0.679 1.00 0.00 C ATOM 787 C GLU A 49 4.761 -3.639 1.919 1.00 0.00 C ATOM 788 O GLU A 49 4.866 -4.830 2.232 1.00 0.00 O ATOM 789 CB GLU A 49 6.886 -2.608 1.025 1.00 0.00 C ATOM 790 CG GLU A 49 6.934 -1.327 1.835 1.00 0.00 C ATOM 791 CD GLU A 49 8.338 -0.949 2.264 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.859 -1.560 3.219 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.936 -0.041 1.638 1.00 0.00 O ATOM 0 H GLU A 49 5.058 -1.079 0.199 1.00 0.00 H new ATOM 0 HA GLU A 49 5.557 -3.886 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.395 -3.395 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.443 -2.460 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.509 -0.515 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.308 -1.440 2.720 1.00 0.00 H new ATOM 800 N SER A 50 4.008 -2.782 2.607 1.00 0.00 N ATOM 801 CA SER A 50 3.305 -3.169 3.823 1.00 0.00 C ATOM 802 C SER A 50 2.169 -4.143 3.531 1.00 0.00 C ATOM 803 O SER A 50 2.014 -5.156 4.211 1.00 0.00 O ATOM 804 CB SER A 50 2.761 -1.935 4.555 1.00 0.00 C ATOM 805 OG SER A 50 2.155 -2.293 5.786 1.00 0.00 O ATOM 0 H SER A 50 3.870 -1.808 2.338 1.00 0.00 H new ATOM 0 HA SER A 50 4.027 -3.673 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.572 -1.231 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.033 -1.426 3.923 1.00 0.00 H new ATOM 0 HG SER A 50 1.819 -1.488 6.232 1.00 0.00 H new ATOM 811 N TYR A 51 1.381 -3.872 2.504 1.00 0.00 N ATOM 812 CA TYR A 51 0.265 -4.744 2.213 1.00 0.00 C ATOM 813 C TYR A 51 0.761 -6.038 1.571 1.00 0.00 C ATOM 814 O TYR A 51 0.191 -7.110 1.787 1.00 0.00 O ATOM 815 CB TYR A 51 -0.808 -4.043 1.346 1.00 0.00 C ATOM 816 CG TYR A 51 -0.586 -4.123 -0.148 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.975 -5.247 -0.863 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.000 -3.082 -0.840 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.783 -5.332 -2.217 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.198 -3.157 -2.206 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.195 -4.286 -2.885 1.00 0.00 C ATOM 822 OH TYR A 51 0.000 -4.370 -4.235 1.00 0.00 O ATOM 0 H TYR A 51 1.491 -3.076 1.875 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.222 -4.996 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.780 -4.480 1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.855 -2.993 1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.438 -6.071 -0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.308 -2.195 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.092 -6.216 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.658 -2.336 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.628 -5.019 -4.616 1.00 0.00 H new ATOM 832 N CYS A 52 1.846 -5.946 0.791 1.00 0.00 N ATOM 833 CA CYS A 52 2.431 -7.126 0.163 1.00 0.00 C ATOM 834 C CYS A 52 2.861 -8.132 1.210 1.00 0.00 C ATOM 835 O CYS A 52 2.594 -9.334 1.085 1.00 0.00 O ATOM 836 CB CYS A 52 3.622 -6.753 -0.714 1.00 0.00 C ATOM 837 SG CYS A 52 3.182 -5.872 -2.227 1.00 0.00 S ATOM 0 H CYS A 52 2.329 -5.072 0.584 1.00 0.00 H new ATOM 0 HA CYS A 52 1.664 -7.575 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.307 -6.135 -0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.161 -7.662 -0.980 1.00 0.00 H new ATOM 0 HG CYS A 52 3.028 -4.608 -1.964 1.00 0.00 H new ATOM 843 N GLN A 53 3.499 -7.649 2.269 1.00 0.00 N ATOM 844 CA GLN A 53 3.966 -8.530 3.317 1.00 0.00 C ATOM 845 C GLN A 53 2.791 -9.100 4.102 1.00 0.00 C ATOM 846 O GLN A 53 2.846 -10.235 4.567 1.00 0.00 O ATOM 847 CB GLN A 53 4.967 -7.835 4.250 1.00 0.00 C ATOM 848 CG GLN A 53 4.408 -6.621 4.953 1.00 0.00 C ATOM 849 CD GLN A 53 5.355 -6.029 5.966 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.577 -6.114 5.831 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.797 -5.421 6.989 1.00 0.00 N ATOM 0 H GLN A 53 3.701 -6.660 2.419 1.00 0.00 H new ATOM 0 HA GLN A 53 4.495 -9.354 2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.309 -8.551 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.841 -7.537 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.160 -5.862 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.478 -6.895 5.452 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.781 -5.374 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.380 -4.996 7.710 1.00 0.00 H new ATOM 860 N ARG A 54 1.712 -8.303 4.259 1.00 0.00 N ATOM 861 CA ARG A 54 0.494 -8.780 4.926 1.00 0.00 C ATOM 862 C ARG A 54 -0.017 -10.052 4.263 1.00 0.00 C ATOM 863 O ARG A 54 -0.451 -10.990 4.927 1.00 0.00 O ATOM 864 CB ARG A 54 -0.608 -7.715 4.858 1.00 0.00 C ATOM 865 CG ARG A 54 -0.338 -6.431 5.629 1.00 0.00 C ATOM 866 CD ARG A 54 -0.373 -6.643 7.130 1.00 0.00 C ATOM 867 NE ARG A 54 0.940 -6.966 7.676 1.00 0.00 N ATOM 868 CZ ARG A 54 1.647 -6.141 8.448 1.00 0.00 C ATOM 869 NH1 ARG A 54 1.184 -4.922 8.730 1.00 0.00 N ATOM 870 NH2 ARG A 54 2.818 -6.529 8.930 1.00 0.00 N ATOM 0 H ARG A 54 1.665 -7.337 3.935 1.00 0.00 H new ATOM 0 HA ARG A 54 0.744 -8.985 5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.776 -7.460 3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.534 -8.153 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.637 -6.036 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.079 -5.681 5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.753 -5.743 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.069 -7.448 7.364 1.00 0.00 H new ATOM 0 HE ARG A 54 1.341 -7.877 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.286 -4.618 8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.728 -4.294 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.177 -7.458 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.360 -5.899 9.521 1.00 0.00 H new ATOM 884 N GLN A 55 0.037 -10.078 2.941 1.00 0.00 N ATOM 885 CA GLN A 55 -0.410 -11.234 2.176 1.00 0.00 C ATOM 886 C GLN A 55 0.638 -12.331 2.198 1.00 0.00 C ATOM 887 O GLN A 55 0.339 -13.501 1.971 1.00 0.00 O ATOM 888 CB GLN A 55 -0.688 -10.826 0.740 1.00 0.00 C ATOM 889 CG GLN A 55 -1.883 -9.909 0.581 1.00 0.00 C ATOM 890 CD GLN A 55 -1.712 -8.926 -0.559 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.496 -8.446 -0.739 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.671 -8.579 -1.252 1.00 0.00 N flip ATOM 0 H GLN A 55 0.388 -9.308 2.372 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.324 -11.615 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.194 -10.329 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.849 -11.723 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.777 -10.509 0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.042 -9.360 1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.595 -8.975 -1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.540 -7.896 -1.998 1.00 0.00 H new ATOM 901 N GLY A 56 1.873 -11.956 2.474 1.00 0.00 N ATOM 902 CA GLY A 56 2.941 -12.924 2.535 1.00 0.00 C ATOM 903 C GLY A 56 3.477 -13.267 1.171 1.00 0.00 C ATOM 904 O GLY A 56 3.994 -14.360 0.951 1.00 0.00 O ATOM 0 H GLY A 56 2.156 -10.993 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.749 -12.532 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.580 -13.831 3.020 1.00 0.00 H new ATOM 908 N VAL A 57 3.365 -12.335 0.242 1.00 0.00 N ATOM 909 CA VAL A 57 3.828 -12.555 -1.115 1.00 0.00 C ATOM 910 C VAL A 57 4.765 -11.434 -1.541 1.00 0.00 C ATOM 911 O VAL A 57 4.629 -10.296 -1.079 1.00 0.00 O ATOM 912 CB VAL A 57 2.646 -12.652 -2.123 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.730 -13.815 -1.771 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.861 -11.348 -2.169 1.00 0.00 C ATOM 0 H VAL A 57 2.956 -11.415 0.404 1.00 0.00 H new ATOM 0 HA VAL A 57 4.361 -13.506 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 57 3.064 -12.832 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.911 -13.863 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.296 -14.746 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.326 -13.670 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.041 -11.442 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.460 -11.130 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.520 -10.537 -2.480 1.00 0.00 H new ATOM 924 N PRO A 58 5.748 -11.742 -2.395 1.00 0.00 N ATOM 925 CA PRO A 58 6.686 -10.745 -2.894 1.00 0.00 C ATOM 926 C PRO A 58 5.993 -9.686 -3.755 1.00 0.00 C ATOM 927 O PRO A 58 4.991 -9.959 -4.431 1.00 0.00 O ATOM 928 CB PRO A 58 7.683 -11.555 -3.729 1.00 0.00 C ATOM 929 CG PRO A 58 6.978 -12.827 -4.054 1.00 0.00 C ATOM 930 CD PRO A 58 6.028 -13.088 -2.923 1.00 0.00 C ATOM 0 HA PRO A 58 7.159 -10.192 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.965 -11.019 -4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.601 -11.745 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.442 -12.743 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.688 -13.647 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.119 -13.582 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.473 -13.732 -2.165 1.00 0.00 H new ATOM 938 N MET A 59 6.546 -8.481 -3.752 1.00 0.00 N ATOM 939 CA MET A 59 5.965 -7.342 -4.472 1.00 0.00 C ATOM 940 C MET A 59 6.066 -7.519 -5.985 1.00 0.00 C ATOM 941 O MET A 59 5.489 -6.755 -6.756 1.00 0.00 O ATOM 942 CB MET A 59 6.670 -6.049 -4.063 1.00 0.00 C ATOM 943 CG MET A 59 6.738 -5.829 -2.561 1.00 0.00 C ATOM 944 SD MET A 59 7.485 -4.248 -2.120 1.00 0.00 S ATOM 945 CE MET A 59 6.290 -3.114 -2.818 1.00 0.00 C ATOM 0 H MET A 59 7.408 -8.259 -3.254 1.00 0.00 H new ATOM 0 HA MET A 59 4.909 -7.289 -4.206 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.683 -6.057 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.153 -5.205 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.732 -5.879 -2.145 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.312 -6.636 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.222 -2.226 -2.190 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.604 -2.826 -3.821 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.315 -3.598 -2.868 1.00 0.00 H new ATOM 955 N ASN A 60 6.797 -8.527 -6.408 1.00 0.00 N ATOM 956 CA ASN A 60 6.997 -8.791 -7.825 1.00 0.00 C ATOM 957 C ASN A 60 5.908 -9.698 -8.378 1.00 0.00 C ATOM 958 O ASN A 60 5.763 -9.853 -9.584 1.00 0.00 O ATOM 959 CB ASN A 60 8.383 -9.417 -8.065 1.00 0.00 C ATOM 960 CG ASN A 60 8.625 -10.683 -7.243 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.702 -11.441 -6.944 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.865 -10.911 -6.871 1.00 0.00 N ATOM 0 H ASN A 60 7.269 -9.185 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 60 6.943 -7.838 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.489 -9.654 -9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.152 -8.683 -7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.087 -11.738 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.605 -10.261 -7.137 1.00 0.00 H new ATOM 969 N SER A 61 5.145 -10.300 -7.491 1.00 0.00 N ATOM 970 CA SER A 61 4.108 -11.223 -7.887 1.00 0.00 C ATOM 971 C SER A 61 2.776 -10.528 -8.164 1.00 0.00 C ATOM 972 O SER A 61 1.900 -11.087 -8.834 1.00 0.00 O ATOM 973 CB SER A 61 3.928 -12.271 -6.809 1.00 0.00 C ATOM 974 OG SER A 61 5.126 -12.999 -6.609 1.00 0.00 O ATOM 0 H SER A 61 5.226 -10.164 -6.483 1.00 0.00 H new ATOM 0 HA SER A 61 4.424 -11.689 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.628 -11.792 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.125 -12.953 -7.089 1.00 0.00 H new ATOM 0 HG SER A 61 5.892 -12.445 -6.865 1.00 0.00 H new ATOM 980 N LEU A 62 2.599 -9.324 -7.667 1.00 0.00 N ATOM 981 CA LEU A 62 1.336 -8.644 -7.851 1.00 0.00 C ATOM 982 C LEU A 62 1.488 -7.196 -8.328 1.00 0.00 C ATOM 983 O LEU A 62 2.542 -6.575 -8.188 1.00 0.00 O ATOM 984 CB LEU A 62 0.485 -8.746 -6.581 1.00 0.00 C ATOM 985 CG LEU A 62 1.202 -8.501 -5.261 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.608 -7.044 -5.121 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.321 -8.932 -4.105 1.00 0.00 C ATOM 0 H LEU A 62 3.300 -8.803 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 62 0.813 -9.156 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.335 -8.032 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.040 -9.740 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 62 2.114 -9.098 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.118 -6.898 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.278 -6.773 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.719 -6.414 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.842 -8.753 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.606 -8.359 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.093 -9.994 -4.197 1.00 0.00 H new ATOM 999 N ARG A 63 0.413 -6.682 -8.895 1.00 0.00 N ATOM 1000 CA ARG A 63 0.390 -5.337 -9.444 1.00 0.00 C ATOM 1001 C ARG A 63 -0.427 -4.396 -8.587 1.00 0.00 C ATOM 1002 O ARG A 63 -1.591 -4.650 -8.304 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.154 -5.334 -10.879 1.00 0.00 C ATOM 1004 CG ARG A 63 0.545 -6.312 -11.804 1.00 0.00 C ATOM 1005 CD ARG A 63 0.116 -6.133 -13.256 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.331 -6.276 -13.434 1.00 0.00 N ATOM 1007 CZ ARG A 63 -1.924 -7.309 -14.044 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -1.203 -8.315 -14.518 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.242 -7.329 -14.185 1.00 0.00 N ATOM 0 H ARG A 63 -0.470 -7.184 -8.989 1.00 0.00 H new ATOM 0 HA ARG A 63 1.421 -4.983 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.218 -5.570 -10.854 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.060 -4.329 -11.291 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.624 -6.177 -11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.327 -7.331 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.426 -5.148 -13.605 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.630 -6.867 -13.877 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.929 -5.536 -13.067 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.188 -8.306 -14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.663 -9.098 -14.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.805 -6.557 -13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.693 -8.117 -14.650 1.00 0.00 H new ATOM 1023 N PHE A 64 0.186 -3.309 -8.175 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.477 -2.292 -7.374 1.00 0.00 C ATOM 1025 C PHE A 64 -0.771 -1.057 -8.215 1.00 0.00 C ATOM 1026 O PHE A 64 0.145 -0.402 -8.727 1.00 0.00 O ATOM 1027 CB PHE A 64 0.383 -1.916 -6.147 1.00 0.00 C ATOM 1028 CG PHE A 64 1.865 -2.201 -6.309 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.613 -1.555 -7.283 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.500 -3.119 -5.485 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.956 -1.826 -7.435 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.845 -3.390 -5.632 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.574 -2.746 -6.609 1.00 0.00 C ATOM 0 H PHE A 64 1.162 -3.100 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.422 -2.702 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.250 -0.855 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.013 -2.461 -5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.138 -0.832 -7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.934 -3.628 -4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.526 -1.319 -8.200 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.326 -4.106 -4.982 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.626 -2.960 -6.729 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.044 -0.736 -8.377 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.423 0.420 -9.158 1.00 0.00 C ATOM 1045 C LEU A 65 -3.631 1.126 -8.547 1.00 0.00 C ATOM 1046 O LEU A 65 -4.370 0.554 -7.749 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.663 0.042 -10.662 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.988 -0.658 -11.050 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.293 -1.815 -10.135 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.144 0.339 -11.103 1.00 0.00 C ATOM 0 H LEU A 65 -2.825 -1.258 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.592 1.125 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.589 0.958 -11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.843 -0.605 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.862 -1.068 -12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.230 -2.281 -10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.488 -2.547 -10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.382 -1.455 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.061 -0.182 -11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.269 0.803 -10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.927 1.108 -11.844 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.823 2.367 -8.921 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.939 3.156 -8.448 1.00 0.00 C ATOM 1064 C PHE A 66 -5.455 4.002 -9.578 1.00 0.00 C ATOM 1065 O PHE A 66 -4.670 4.598 -10.300 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.514 4.044 -7.281 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.601 4.942 -6.782 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.626 4.436 -6.015 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.592 6.293 -7.080 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.630 5.257 -5.548 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.594 7.124 -6.621 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.616 6.604 -5.850 1.00 0.00 C ATOM 0 H PHE A 66 -3.207 2.863 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.726 2.489 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.172 3.412 -6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.665 4.653 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.644 3.383 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.792 6.702 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.427 4.847 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.579 8.176 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.401 7.249 -5.485 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.784 4.032 -9.748 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.468 4.795 -10.818 1.00 0.00 C ATOM 1084 C GLU A 67 -6.865 4.524 -12.205 1.00 0.00 C ATOM 1085 O GLU A 67 -6.968 5.344 -13.117 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.501 6.313 -10.530 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.161 7.007 -10.636 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.288 8.500 -10.802 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.798 9.166 -9.882 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.887 9.021 -11.872 1.00 0.00 O ATOM 0 H GLU A 67 -7.428 3.523 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.497 4.436 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.195 6.786 -11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.898 6.470 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.575 6.794 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.611 6.597 -11.483 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.277 3.354 -12.376 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.657 3.014 -13.638 1.00 0.00 C ATOM 1099 C GLY A 68 -4.234 3.522 -13.753 1.00 0.00 C ATOM 1100 O GLY A 68 -3.731 3.740 -14.851 1.00 0.00 O ATOM 0 H GLY A 68 -6.217 2.629 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.661 1.931 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.252 3.428 -14.452 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.573 3.722 -12.626 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.198 4.193 -12.629 1.00 0.00 C ATOM 1106 C GLN A 69 -1.349 3.318 -11.718 1.00 0.00 C ATOM 1107 O GLN A 69 -1.775 2.951 -10.627 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.118 5.664 -12.172 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.854 5.836 -10.679 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.979 7.262 -10.217 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.030 8.036 -10.285 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.133 7.603 -9.693 1.00 0.00 N ATOM 0 H GLN A 69 -3.965 3.566 -11.698 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.816 4.131 -13.648 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.327 6.165 -12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.053 6.164 -12.425 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.554 5.216 -10.119 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.852 5.473 -10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.896 6.927 -9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.267 8.544 -9.322 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.167 2.962 -12.166 1.00 0.00 N ATOM 1122 CA ARG A 70 0.744 2.160 -11.359 1.00 0.00 C ATOM 1123 C ARG A 70 1.220 2.951 -10.141 1.00 0.00 C ATOM 1124 O ARG A 70 1.366 4.183 -10.188 1.00 0.00 O ATOM 1125 CB ARG A 70 1.954 1.680 -12.193 1.00 0.00 C ATOM 1126 CG ARG A 70 3.020 2.750 -12.463 1.00 0.00 C ATOM 1127 CD ARG A 70 2.484 3.897 -13.302 1.00 0.00 C ATOM 1128 NE ARG A 70 3.436 4.998 -13.401 1.00 0.00 N ATOM 1129 CZ ARG A 70 3.097 6.262 -13.657 1.00 0.00 C ATOM 1130 NH1 ARG A 70 1.834 6.578 -13.918 1.00 0.00 N ATOM 1131 NH2 ARG A 70 4.025 7.207 -13.675 1.00 0.00 N ATOM 0 H ARG A 70 0.193 3.213 -13.087 1.00 0.00 H new ATOM 0 HA ARG A 70 0.199 1.281 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.423 0.843 -11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.591 1.301 -13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.390 3.139 -11.514 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.868 2.294 -12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.246 3.534 -14.302 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.554 4.261 -12.865 1.00 0.00 H new ATOM 0 HE ARG A 70 4.425 4.787 -13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.117 5.852 -13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.580 7.547 -14.113 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.000 6.968 -13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.765 8.174 -13.871 1.00 0.00 H new ATOM 1145 N ILE A 71 1.447 2.264 -9.049 1.00 0.00 N ATOM 1146 CA ILE A 71 1.890 2.917 -7.840 1.00 0.00 C ATOM 1147 C ILE A 71 3.387 2.725 -7.656 1.00 0.00 C ATOM 1148 O ILE A 71 3.866 1.603 -7.513 1.00 0.00 O ATOM 1149 CB ILE A 71 1.160 2.375 -6.595 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.357 2.284 -6.832 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.458 3.251 -5.399 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.000 3.576 -7.293 1.00 0.00 C ATOM 0 H ILE A 71 1.333 1.253 -8.971 1.00 0.00 H new ATOM 0 HA ILE A 71 1.657 3.977 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 71 1.525 1.367 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.550 1.511 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.838 1.963 -5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.938 2.861 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.532 3.257 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.119 4.267 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.069 3.420 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.843 4.349 -6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.551 3.890 -8.235 1.00 0.00 H new ATOM 1164 N ALA A 72 4.128 3.815 -7.651 1.00 0.00 N ATOM 1165 CA ALA A 72 5.565 3.742 -7.493 1.00 0.00 C ATOM 1166 C ALA A 72 5.953 4.046 -6.065 1.00 0.00 C ATOM 1167 O ALA A 72 5.144 4.553 -5.283 1.00 0.00 O ATOM 1168 CB ALA A 72 6.257 4.697 -8.444 1.00 0.00 C ATOM 0 H ALA A 72 3.759 4.760 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 72 5.886 2.728 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.336 4.627 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.002 4.436 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.931 5.716 -8.237 1.00 0.00 H new ATOM 1174 N ASP A 73 7.194 3.764 -5.725 1.00 0.00 N ATOM 1175 CA ASP A 73 7.701 3.998 -4.379 1.00 0.00 C ATOM 1176 C ASP A 73 7.789 5.489 -4.069 1.00 0.00 C ATOM 1177 O ASP A 73 7.762 5.901 -2.912 1.00 0.00 O ATOM 1178 CB ASP A 73 9.079 3.339 -4.199 1.00 0.00 C ATOM 1179 CG ASP A 73 10.100 3.828 -5.203 1.00 0.00 C ATOM 1180 OD1 ASP A 73 10.027 3.404 -6.379 1.00 0.00 O ATOM 1181 OD2 ASP A 73 10.969 4.629 -4.831 1.00 0.00 O ATOM 0 H ASP A 73 7.881 3.368 -6.367 1.00 0.00 H new ATOM 0 HA ASP A 73 6.998 3.547 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.443 3.539 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.974 2.258 -4.292 1.00 0.00 H new ATOM 1186 N ASN A 74 7.854 6.303 -5.101 1.00 0.00 N ATOM 1187 CA ASN A 74 7.977 7.741 -4.919 1.00 0.00 C ATOM 1188 C ASN A 74 6.624 8.399 -5.058 1.00 0.00 C ATOM 1189 O ASN A 74 6.491 9.614 -4.949 1.00 0.00 O ATOM 1190 CB ASN A 74 8.935 8.337 -5.953 1.00 0.00 C ATOM 1191 CG ASN A 74 10.198 7.533 -6.092 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.184 7.764 -5.388 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.186 6.592 -7.014 1.00 0.00 N ATOM 0 H ASN A 74 7.824 5.999 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 74 8.373 7.924 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.434 8.392 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.187 9.358 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.016 6.019 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.347 6.436 -7.573 1.00 0.00 H new ATOM 1200 N HIS A 75 5.604 7.594 -5.287 1.00 0.00 N ATOM 1201 CA HIS A 75 4.262 8.117 -5.448 1.00 0.00 C ATOM 1202 C HIS A 75 3.659 8.388 -4.094 1.00 0.00 C ATOM 1203 O HIS A 75 3.916 7.668 -3.144 1.00 0.00 O ATOM 1204 CB HIS A 75 3.376 7.151 -6.242 1.00 0.00 C ATOM 1205 CG HIS A 75 3.276 7.482 -7.703 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.531 6.738 -8.599 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.807 8.502 -8.422 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.612 7.285 -9.794 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.377 8.353 -9.715 1.00 0.00 N ATOM 0 H HIS A 75 5.679 6.580 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 75 4.322 9.048 -6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.769 6.140 -6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.375 7.152 -5.810 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.449 9.285 -8.046 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.131 6.919 -10.689 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.612 8.971 -10.492 1.00 0.00 H new ATOM 1218 N THR A 76 2.902 9.447 -3.988 1.00 0.00 N ATOM 1219 CA THR A 76 2.271 9.802 -2.725 1.00 0.00 C ATOM 1220 C THR A 76 0.758 9.760 -2.834 1.00 0.00 C ATOM 1221 O THR A 76 0.204 9.943 -3.924 1.00 0.00 O ATOM 1222 CB THR A 76 2.702 11.208 -2.274 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.296 12.174 -3.248 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.204 11.272 -2.113 1.00 0.00 C ATOM 0 H THR A 76 2.701 10.086 -4.757 1.00 0.00 H new ATOM 0 HA THR A 76 2.595 9.068 -1.987 1.00 0.00 H new ATOM 0 HB THR A 76 2.228 11.425 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.571 13.068 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.493 12.273 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.521 10.546 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.682 11.043 -3.065 1.00 0.00 H new ATOM 1232 N PRO A 77 0.063 9.516 -1.706 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.396 9.476 -1.677 1.00 0.00 C ATOM 1234 C PRO A 77 -2.002 10.787 -2.159 1.00 0.00 C ATOM 1235 O PRO A 77 -2.987 10.802 -2.887 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.727 9.266 -0.193 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.499 8.682 0.403 1.00 0.00 C ATOM 1238 CD PRO A 77 0.651 9.243 -0.378 1.00 0.00 C ATOM 0 HA PRO A 77 -1.795 8.699 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.988 10.208 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.580 8.598 -0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.417 8.942 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.517 7.594 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.044 10.150 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.477 8.534 -0.442 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.390 11.896 -1.768 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.890 13.215 -2.132 1.00 0.00 C ATOM 1248 C LYS A 78 -1.756 13.458 -3.633 1.00 0.00 C ATOM 1249 O LYS A 78 -2.645 14.026 -4.261 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.151 14.306 -1.360 1.00 0.00 C ATOM 1251 CG LYS A 78 0.327 14.337 -1.653 1.00 0.00 C ATOM 1252 CD LYS A 78 0.947 15.659 -1.285 1.00 0.00 C ATOM 1253 CE LYS A 78 2.230 15.858 -2.054 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.836 17.181 -1.795 1.00 0.00 N ATOM 0 H LYS A 78 -0.545 11.909 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.947 13.252 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.585 15.275 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.301 14.152 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.823 13.538 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.491 14.142 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.252 16.470 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.146 15.691 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.939 15.076 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.032 15.753 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.715 17.274 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.171 17.929 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.050 17.273 -0.781 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.647 13.014 -4.215 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.414 13.209 -5.633 1.00 0.00 C ATOM 1270 C GLU A 79 -1.292 12.295 -6.455 1.00 0.00 C ATOM 1271 O GLU A 79 -1.765 12.663 -7.527 1.00 0.00 O ATOM 1272 CB GLU A 79 1.049 12.973 -5.987 1.00 0.00 C ATOM 1273 CG GLU A 79 1.960 14.153 -5.697 1.00 0.00 C ATOM 1274 CD GLU A 79 1.559 15.397 -6.458 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.688 15.408 -7.694 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.125 16.369 -5.821 1.00 0.00 O ATOM 0 H GLU A 79 0.099 12.519 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.667 14.243 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.409 12.106 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.119 12.726 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.945 14.365 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.985 13.888 -5.955 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.525 11.090 -5.957 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.347 10.138 -6.680 1.00 0.00 C ATOM 1285 C LEU A 80 -3.824 10.418 -6.460 1.00 0.00 C ATOM 1286 O LEU A 80 -4.684 9.773 -7.047 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.007 8.695 -6.288 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.528 8.294 -6.408 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.392 6.803 -6.609 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.165 9.046 -7.526 1.00 0.00 C ATOM 0 H LEU A 80 -1.161 10.753 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.130 10.257 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.323 8.536 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.597 8.022 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.039 8.565 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.663 6.542 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.830 6.280 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.911 6.510 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.209 8.736 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.329 8.826 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.114 10.117 -7.330 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.112 11.391 -5.614 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.486 11.779 -5.363 1.00 0.00 C ATOM 1304 C GLY A 81 -6.220 10.797 -4.481 1.00 0.00 C ATOM 1305 O GLY A 81 -7.334 10.373 -4.793 1.00 0.00 O ATOM 0 H GLY A 81 -3.416 11.924 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.501 12.763 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.012 11.871 -6.313 1.00 0.00 H new ATOM 1309 N MET A 82 -5.599 10.421 -3.385 1.00 0.00 N ATOM 1310 CA MET A 82 -6.194 9.502 -2.432 1.00 0.00 C ATOM 1311 C MET A 82 -6.646 10.258 -1.192 1.00 0.00 C ATOM 1312 O MET A 82 -6.199 11.377 -0.941 1.00 0.00 O ATOM 1313 CB MET A 82 -5.177 8.438 -2.034 1.00 0.00 C ATOM 1314 CG MET A 82 -4.721 7.558 -3.181 1.00 0.00 C ATOM 1315 SD MET A 82 -3.349 6.484 -2.719 1.00 0.00 S ATOM 1316 CE MET A 82 -2.991 5.706 -4.287 1.00 0.00 C ATOM 0 H MET A 82 -4.666 10.742 -3.126 1.00 0.00 H new ATOM 0 HA MET A 82 -7.056 9.024 -2.896 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.307 8.928 -1.598 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.611 7.808 -1.257 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.557 6.948 -3.522 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.421 8.186 -4.020 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.957 5.362 -4.295 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.657 4.856 -4.432 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.140 6.425 -5.092 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.528 9.657 -0.421 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.021 10.270 0.799 1.00 0.00 C ATOM 1328 C GLU A 83 -8.219 9.207 1.870 1.00 0.00 C ATOM 1329 O GLU A 83 -7.863 8.043 1.675 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.341 11.000 0.531 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.476 10.076 0.117 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.748 10.820 -0.208 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.427 11.277 0.728 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.079 10.941 -1.411 1.00 0.00 O ATOM 0 H GLU A 83 -7.922 8.737 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.287 10.995 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.635 11.543 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.184 11.742 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.167 9.496 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.671 9.366 0.920 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.800 9.592 2.996 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.019 8.663 4.084 1.00 0.00 C ATOM 1343 C GLU A 84 -10.056 7.615 3.726 1.00 0.00 C ATOM 1344 O GLU A 84 -11.157 7.929 3.269 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.407 9.391 5.370 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.691 10.197 5.278 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.062 10.818 6.597 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.753 10.157 7.397 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.640 11.965 6.854 1.00 0.00 O ATOM 0 H GLU A 84 -9.127 10.541 3.176 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.074 8.149 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.510 8.658 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.594 10.059 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.575 10.980 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.501 9.551 4.941 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.663 6.364 3.891 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.500 5.198 3.670 1.00 0.00 C ATOM 1358 C GLU A 85 -10.662 4.862 2.197 1.00 0.00 C ATOM 1359 O GLU A 85 -11.467 4.005 1.830 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.833 5.308 4.399 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.697 5.009 5.876 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.926 5.335 6.669 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -13.987 4.743 6.402 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -12.830 6.173 7.592 1.00 0.00 O ATOM 0 H GLU A 85 -8.719 6.124 4.193 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.974 4.350 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.236 6.312 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.548 4.617 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.461 3.953 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.855 5.574 6.277 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.897 5.549 1.341 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.886 5.231 -0.088 1.00 0.00 C ATOM 1373 C ASP A 86 -9.348 3.816 -0.313 1.00 0.00 C ATOM 1374 O ASP A 86 -8.760 3.204 0.590 1.00 0.00 O ATOM 1375 CB ASP A 86 -9.042 6.233 -0.876 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.646 6.542 -2.233 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.999 5.595 -2.966 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.786 7.741 -2.565 1.00 0.00 O ATOM 0 H ASP A 86 -9.285 6.319 1.610 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.913 5.291 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.946 7.156 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.036 5.834 -1.009 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.521 3.300 -1.507 1.00 0.00 N ATOM 1384 CA VAL A 87 -9.124 1.940 -1.800 1.00 0.00 C ATOM 1385 C VAL A 87 -8.192 1.870 -3.010 1.00 0.00 C ATOM 1386 O VAL A 87 -8.325 2.626 -3.966 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.365 1.042 -2.044 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.141 1.501 -3.272 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.966 -0.419 -2.168 1.00 0.00 C ATOM 0 H VAL A 87 -9.935 3.801 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.581 1.572 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.021 1.138 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.006 0.854 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.477 2.528 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.496 1.450 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.855 -1.026 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.279 -0.539 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.477 -0.742 -1.249 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.239 0.960 -2.948 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.303 0.731 -4.034 1.00 0.00 C ATOM 1401 C ILE A 88 -6.580 -0.645 -4.643 1.00 0.00 C ATOM 1402 O ILE A 88 -7.084 -1.548 -3.959 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.836 0.796 -3.525 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.616 2.069 -2.710 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.849 0.740 -4.684 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.122 1.806 -1.308 1.00 0.00 C ATOM 0 H ILE A 88 -7.091 0.356 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.434 1.508 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.661 -0.071 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.896 2.703 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.552 2.625 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.831 0.787 -4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.986 -0.191 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.023 1.584 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.987 2.753 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.851 1.198 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.170 1.277 -1.351 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.258 -0.822 -5.907 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.532 -2.069 -6.588 1.00 0.00 C ATOM 1420 C GLU A 89 -5.244 -2.856 -6.804 1.00 0.00 C ATOM 1421 O GLU A 89 -4.202 -2.287 -7.134 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.199 -1.788 -7.927 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.706 -3.030 -8.624 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.897 -3.636 -7.930 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -10.014 -3.098 -8.086 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.731 -4.647 -7.229 1.00 0.00 O ATOM 0 H GLU A 89 -5.804 -0.115 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.202 -2.665 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.033 -1.103 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.487 -1.281 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.975 -2.782 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.905 -3.767 -8.674 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.293 -4.156 -6.576 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.136 -5.003 -6.777 1.00 0.00 C ATOM 1435 C VAL A 90 -4.473 -6.210 -7.641 1.00 0.00 C ATOM 1436 O VAL A 90 -5.476 -6.887 -7.429 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.565 -5.483 -5.428 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.377 -6.418 -5.627 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.172 -4.293 -4.577 1.00 0.00 C ATOM 0 H VAL A 90 -6.125 -4.648 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.386 -4.403 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.342 -6.046 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.999 -6.738 -4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.693 -7.291 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.589 -5.895 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.770 -4.643 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.415 -3.707 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.048 -3.672 -4.394 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.630 -6.480 -8.613 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.815 -7.605 -9.508 1.00 0.00 C ATOM 1451 C TYR A 91 -2.648 -8.566 -9.396 1.00 0.00 C ATOM 1452 O TYR A 91 -1.714 -8.331 -8.648 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.968 -7.126 -10.945 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.280 -6.438 -11.213 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.404 -7.170 -11.572 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.400 -5.061 -11.108 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.608 -6.549 -11.819 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.599 -4.432 -11.353 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.702 -5.181 -11.708 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.905 -4.561 -11.944 1.00 0.00 O ATOM 0 H TYR A 91 -2.796 -5.926 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.727 -8.128 -9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.153 -6.441 -11.180 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.871 -7.979 -11.616 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.333 -8.244 -11.659 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.538 -4.472 -10.829 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.473 -7.132 -12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.676 -3.358 -11.268 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.804 -3.594 -11.823 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.700 -9.650 -10.130 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.651 -10.649 -10.096 1.00 0.00 C ATOM 1472 C GLN A 92 -0.789 -10.566 -11.352 1.00 0.00 C ATOM 1473 O GLN A 92 -1.307 -10.427 -12.452 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.277 -12.036 -10.011 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.333 -13.103 -9.513 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.161 -13.050 -8.013 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.886 -13.704 -7.284 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.201 -12.270 -7.545 1.00 0.00 N ATOM 0 H GLN A 92 -3.466 -9.868 -10.767 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.023 -10.466 -9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.143 -11.993 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.643 -12.320 -10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.711 -14.084 -9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.362 -12.982 -9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.384 -11.739 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.046 -12.200 -6.539 1.00 0.00 H new ATOM 1487 N GLU A 93 0.529 -10.641 -11.194 1.00 0.00 N ATOM 1488 CA GLU A 93 1.431 -10.650 -12.342 1.00 0.00 C ATOM 1489 C GLU A 93 2.389 -11.836 -12.257 1.00 0.00 C ATOM 1490 O GLU A 93 3.470 -11.826 -12.842 1.00 0.00 O ATOM 1491 CB GLU A 93 2.212 -9.336 -12.466 1.00 0.00 C ATOM 1492 CG GLU A 93 3.131 -9.022 -11.298 1.00 0.00 C ATOM 1493 CD GLU A 93 4.088 -7.891 -11.613 1.00 0.00 C ATOM 1494 OE1 GLU A 93 5.026 -8.105 -12.417 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.907 -6.781 -11.075 1.00 0.00 O ATOM 0 H GLU A 93 0.995 -10.696 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 93 0.820 -10.752 -13.239 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.807 -9.370 -13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.501 -8.518 -12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.532 -8.757 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.699 -9.914 -11.035 1.00 0.00 H new ATOM 1502 N GLN A 94 1.987 -12.853 -11.489 1.00 0.00 N ATOM 1503 CA GLN A 94 2.757 -14.098 -11.354 1.00 0.00 C ATOM 1504 C GLN A 94 3.037 -14.745 -12.715 1.00 0.00 C ATOM 1505 O GLN A 94 2.621 -14.245 -13.762 1.00 0.00 O ATOM 1506 CB GLN A 94 2.032 -15.073 -10.424 1.00 0.00 C ATOM 1507 CG GLN A 94 1.925 -14.571 -8.994 1.00 0.00 C ATOM 1508 CD GLN A 94 1.058 -15.450 -8.117 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.141 -16.115 -8.596 1.00 0.00 O ATOM 1510 NE2 GLN A 94 1.325 -15.441 -6.828 1.00 0.00 N ATOM 0 H GLN A 94 1.124 -12.839 -10.945 1.00 0.00 H new ATOM 0 HA GLN A 94 3.722 -13.846 -10.914 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.031 -15.259 -10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.558 -16.028 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.924 -14.510 -8.562 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.518 -13.560 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.095 -14.875 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.762 -16.000 -6.187 1.00 0.00 H new ATOM 1519 N THR A 95 3.688 -15.876 -12.701 1.00 0.00 N ATOM 1520 CA THR A 95 4.120 -16.498 -13.926 1.00 0.00 C ATOM 1521 C THR A 95 3.015 -17.365 -14.527 1.00 0.00 C ATOM 1522 O THR A 95 2.357 -18.140 -13.833 1.00 0.00 O ATOM 1523 CB THR A 95 5.414 -17.325 -13.709 1.00 0.00 C ATOM 1524 OG1 THR A 95 5.813 -17.966 -14.931 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.218 -18.364 -12.615 1.00 0.00 C ATOM 0 H THR A 95 3.932 -16.388 -11.853 1.00 0.00 H new ATOM 0 HA THR A 95 4.345 -15.702 -14.636 1.00 0.00 H new ATOM 0 HB THR A 95 6.202 -16.640 -13.397 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.632 -18.482 -14.777 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.140 -18.931 -12.482 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.961 -17.865 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.413 -19.042 -12.897 1.00 0.00 H new ATOM 1533 N GLY A 96 2.796 -17.210 -15.818 1.00 0.00 N ATOM 1534 CA GLY A 96 1.791 -17.986 -16.498 1.00 0.00 C ATOM 1535 C GLY A 96 2.405 -19.084 -17.331 1.00 0.00 C ATOM 1536 O GLY A 96 2.109 -19.219 -18.524 1.00 0.00 O ATOM 0 H GLY A 96 3.302 -16.553 -16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.110 -18.421 -15.767 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.197 -17.333 -17.137 1.00 0.00 H new ATOM 1540 N GLY A 97 3.272 -19.865 -16.711 1.00 0.00 N ATOM 1541 CA GLY A 97 3.930 -20.947 -17.400 1.00 0.00 C ATOM 1542 C GLY A 97 3.046 -22.164 -17.503 1.00 0.00 C ATOM 1543 O GLY A 97 3.036 -22.978 -16.557 1.00 0.00 O ATOM 1544 OXT GLY A 97 2.357 -22.316 -18.523 1.00 0.00 O ATOM 0 H GLY A 97 3.533 -19.765 -15.730 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.217 -20.620 -18.400 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.848 -21.208 -16.874 1.00 0.00 H new TER 1548 GLY A 97