USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 883 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.136 F(o=-1.7,f=-1) USER MOD Set 1.3: A 94 TYR OH : rot 50:sc= -0.872 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0701 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -3.76! C(o=-4.9!,f=-3.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.96! C(o=-2!,f=-2!) USER MOD Single : A 34 ASN : amide:sc= -0.487 K(o=-0.49,f=-2.4!) USER MOD Single : A 35 MET CE :methyl 170:sc= -0.0421 (180deg=-0.198) USER MOD Single : A 36 GLN : amide:sc= -0.0433 K(o=-0.043,f=-0.76) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.13! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.6) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.984) USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= 0.401 (180deg=-1.6!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 69 THR OG1 : rot -19:sc= 0.206 USER MOD Single : A 71 MET CE :methyl -146:sc= 0 (180deg=-0.753) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0228) USER MOD Single : A 76 GLN : amide:sc= -4.44! C(o=-4.4!,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0265) USER MOD Single : A 79 GLN : amide:sc= 0.569 K(o=0.57,f=0) USER MOD Single : A 80 TYR OH : rot 30:sc=-0.00696 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.833 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -8.99! C(o=-9!,f=-15!) USER MOD Single : A 96 MET CE :methyl -174:sc= -0.17 (180deg=-0.23) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.0277 K(o=-0.028,f=-1.9) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0572) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 6:sc= 0.408 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.437 31.009 4.355 1.00 0.00 N ATOM 2 CA GLY A 1 -2.344 30.503 5.712 1.00 0.00 C ATOM 3 C GLY A 1 -0.983 29.911 6.018 1.00 0.00 C ATOM 4 O GLY A 1 -0.018 30.147 5.292 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.652 32.026 4.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.532 30.857 3.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.194 30.507 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.551 31.312 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.110 29.743 5.867 1.00 0.00 H new ATOM 8 N SER A 2 -0.904 29.140 7.098 1.00 0.00 N ATOM 9 CA SER A 2 0.351 28.517 7.503 1.00 0.00 C ATOM 10 C SER A 2 0.271 27.000 7.368 1.00 0.00 C ATOM 11 O SER A 2 -0.807 26.413 7.458 1.00 0.00 O ATOM 12 CB SER A 2 0.691 28.896 8.945 1.00 0.00 C ATOM 13 OG SER A 2 1.741 28.089 9.450 1.00 0.00 O ATOM 0 H SER A 2 -1.694 28.932 7.708 1.00 0.00 H new ATOM 0 HA SER A 2 1.139 28.882 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.981 29.946 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.193 28.783 9.572 1.00 0.00 H new ATOM 0 HG SER A 2 1.941 28.352 10.373 1.00 0.00 H new ATOM 19 N SER A 3 1.422 26.370 7.153 1.00 0.00 N ATOM 20 CA SER A 3 1.484 24.921 7.003 1.00 0.00 C ATOM 21 C SER A 3 0.758 24.224 8.149 1.00 0.00 C ATOM 22 O SER A 3 0.627 24.774 9.242 1.00 0.00 O ATOM 23 CB SER A 3 2.940 24.454 6.948 1.00 0.00 C ATOM 24 OG SER A 3 3.547 24.822 5.722 1.00 0.00 O ATOM 0 H SER A 3 2.324 26.841 7.079 1.00 0.00 H new ATOM 0 HA SER A 3 0.989 24.657 6.068 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.496 24.889 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.983 23.372 7.068 1.00 0.00 H new ATOM 0 HG SER A 3 4.477 24.514 5.712 1.00 0.00 H new ATOM 30 N GLY A 4 0.286 23.008 7.890 1.00 0.00 N ATOM 31 CA GLY A 4 -0.422 22.255 8.909 1.00 0.00 C ATOM 32 C GLY A 4 -1.764 21.742 8.424 1.00 0.00 C ATOM 33 O GLY A 4 -2.676 22.525 8.159 1.00 0.00 O ATOM 0 H GLY A 4 0.381 22.531 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.192 21.412 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.573 22.887 9.784 1.00 0.00 H new ATOM 37 N SER A 5 -1.884 20.424 8.306 1.00 0.00 N ATOM 38 CA SER A 5 -3.122 19.808 7.844 1.00 0.00 C ATOM 39 C SER A 5 -4.075 19.562 9.010 1.00 0.00 C ATOM 40 O SER A 5 -3.737 18.863 9.965 1.00 0.00 O ATOM 41 CB SER A 5 -2.824 18.489 7.127 1.00 0.00 C ATOM 42 OG SER A 5 -4.003 17.718 6.967 1.00 0.00 O ATOM 0 H SER A 5 -1.139 19.762 8.524 1.00 0.00 H new ATOM 0 HA SER A 5 -3.601 20.493 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.384 18.693 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.088 17.920 7.696 1.00 0.00 H new ATOM 0 HG SER A 5 -3.786 16.881 6.505 1.00 0.00 H new ATOM 48 N SER A 6 -5.268 20.142 8.924 1.00 0.00 N ATOM 49 CA SER A 6 -6.269 19.991 9.973 1.00 0.00 C ATOM 50 C SER A 6 -6.369 18.536 10.423 1.00 0.00 C ATOM 51 O SER A 6 -5.844 17.635 9.769 1.00 0.00 O ATOM 52 CB SER A 6 -7.633 20.478 9.479 1.00 0.00 C ATOM 53 OG SER A 6 -7.702 21.893 9.487 1.00 0.00 O ATOM 0 H SER A 6 -5.565 20.721 8.138 1.00 0.00 H new ATOM 0 HA SER A 6 -5.961 20.597 10.825 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.811 20.108 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.420 20.069 10.112 1.00 0.00 H new ATOM 0 HG SER A 6 -8.582 22.179 9.166 1.00 0.00 H new ATOM 59 N GLY A 7 -7.046 18.315 11.545 1.00 0.00 N ATOM 60 CA GLY A 7 -7.202 16.969 12.065 1.00 0.00 C ATOM 61 C GLY A 7 -8.637 16.655 12.439 1.00 0.00 C ATOM 62 O GLY A 7 -9.107 17.041 13.510 1.00 0.00 O ATOM 0 H GLY A 7 -7.490 19.044 12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.859 16.252 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.566 16.845 12.941 1.00 0.00 H new ATOM 66 N THR A 8 -9.338 15.954 11.554 1.00 0.00 N ATOM 67 CA THR A 8 -10.729 15.591 11.795 1.00 0.00 C ATOM 68 C THR A 8 -11.070 14.256 11.142 1.00 0.00 C ATOM 69 O THR A 8 -10.837 14.061 9.950 1.00 0.00 O ATOM 70 CB THR A 8 -11.692 16.670 11.264 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.078 17.387 10.188 1.00 0.00 O ATOM 72 CG2 THR A 8 -12.080 17.639 12.370 1.00 0.00 C ATOM 0 H THR A 8 -8.965 15.626 10.663 1.00 0.00 H new ATOM 0 HA THR A 8 -10.851 15.506 12.875 1.00 0.00 H new ATOM 0 HB THR A 8 -12.594 16.176 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.697 18.070 9.855 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.760 18.392 11.972 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.573 17.094 13.175 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.185 18.127 12.757 1.00 0.00 H new ATOM 80 N GLU A 9 -11.624 13.341 11.931 1.00 0.00 N ATOM 81 CA GLU A 9 -11.997 12.024 11.428 1.00 0.00 C ATOM 82 C GLU A 9 -13.503 11.936 11.198 1.00 0.00 C ATOM 83 O GLU A 9 -13.956 11.532 10.127 1.00 0.00 O ATOM 84 CB GLU A 9 -11.554 10.935 12.407 1.00 0.00 C ATOM 85 CG GLU A 9 -10.050 10.879 12.617 1.00 0.00 C ATOM 86 CD GLU A 9 -9.639 9.813 13.613 1.00 0.00 C ATOM 87 OE1 GLU A 9 -10.149 8.678 13.513 1.00 0.00 O ATOM 88 OE2 GLU A 9 -8.807 10.115 14.494 1.00 0.00 O ATOM 0 H GLU A 9 -11.824 13.487 12.920 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.492 11.871 10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.040 11.103 13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.897 9.968 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.561 10.687 11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.699 11.851 12.965 1.00 0.00 H new ATOM 95 N ASP A 10 -14.273 12.315 12.212 1.00 0.00 N ATOM 96 CA ASP A 10 -15.728 12.280 12.122 1.00 0.00 C ATOM 97 C ASP A 10 -16.219 13.101 10.934 1.00 0.00 C ATOM 98 O ASP A 10 -17.090 12.663 10.182 1.00 0.00 O ATOM 99 CB ASP A 10 -16.353 12.806 13.415 1.00 0.00 C ATOM 100 CG ASP A 10 -17.849 12.566 13.474 1.00 0.00 C ATOM 101 OD1 ASP A 10 -18.521 12.752 12.438 1.00 0.00 O ATOM 102 OD2 ASP A 10 -18.348 12.194 14.557 1.00 0.00 O ATOM 0 H ASP A 10 -13.914 12.650 13.106 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.034 11.244 11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.877 12.323 14.268 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.156 13.874 13.502 1.00 0.00 H new ATOM 107 N SER A 11 -15.655 14.293 10.771 1.00 0.00 N ATOM 108 CA SER A 11 -16.039 15.178 9.678 1.00 0.00 C ATOM 109 C SER A 11 -15.142 14.960 8.463 1.00 0.00 C ATOM 110 O SER A 11 -14.583 15.909 7.911 1.00 0.00 O ATOM 111 CB SER A 11 -15.965 16.639 10.125 1.00 0.00 C ATOM 112 OG SER A 11 -16.903 17.436 9.423 1.00 0.00 O ATOM 0 H SER A 11 -14.930 14.668 11.382 1.00 0.00 H new ATOM 0 HA SER A 11 -17.066 14.944 9.398 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.157 16.705 11.196 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.959 17.023 9.957 1.00 0.00 H new ATOM 0 HG SER A 11 -16.836 18.365 9.728 1.00 0.00 H new ATOM 118 N LEU A 12 -15.009 13.704 8.051 1.00 0.00 N ATOM 119 CA LEU A 12 -14.180 13.360 6.901 1.00 0.00 C ATOM 120 C LEU A 12 -14.971 13.487 5.602 1.00 0.00 C ATOM 121 O LEU A 12 -16.191 13.332 5.590 1.00 0.00 O ATOM 122 CB LEU A 12 -13.639 11.936 7.045 1.00 0.00 C ATOM 123 CG LEU A 12 -12.340 11.789 7.838 1.00 0.00 C ATOM 124 CD1 LEU A 12 -12.114 10.336 8.227 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.161 12.317 7.033 1.00 0.00 C ATOM 0 H LEU A 12 -15.464 12.907 8.496 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.344 14.058 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.404 11.325 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.481 11.526 6.047 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.425 12.379 8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.185 10.251 8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.945 9.991 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.050 9.724 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.245 12.204 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.074 11.754 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.319 13.371 6.805 1.00 0.00 H new ATOM 137 N MET A 13 -14.265 13.767 4.511 1.00 0.00 N ATOM 138 CA MET A 13 -14.901 13.911 3.207 1.00 0.00 C ATOM 139 C MET A 13 -15.303 12.551 2.645 1.00 0.00 C ATOM 140 O MET A 13 -14.803 11.507 3.064 1.00 0.00 O ATOM 141 CB MET A 13 -13.960 14.620 2.232 1.00 0.00 C ATOM 142 CG MET A 13 -14.170 16.124 2.170 1.00 0.00 C ATOM 143 SD MET A 13 -13.255 17.007 3.449 1.00 0.00 S ATOM 144 CE MET A 13 -14.557 18.004 4.170 1.00 0.00 C ATOM 0 H MET A 13 -13.254 13.898 4.504 1.00 0.00 H new ATOM 0 HA MET A 13 -15.801 14.513 3.334 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.929 14.417 2.522 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.099 14.201 1.236 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.862 16.490 1.190 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.233 16.343 2.272 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.147 18.609 4.979 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.980 18.657 3.407 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.338 17.353 4.564 1.00 0.00 H new ATOM 154 N PRO A 14 -16.228 12.560 1.674 1.00 0.00 N ATOM 155 CA PRO A 14 -16.717 11.336 1.034 1.00 0.00 C ATOM 156 C PRO A 14 -15.658 10.679 0.154 1.00 0.00 C ATOM 157 O PRO A 14 -14.470 10.979 0.269 1.00 0.00 O ATOM 158 CB PRO A 14 -17.891 11.824 0.182 1.00 0.00 C ATOM 159 CG PRO A 14 -17.590 13.258 -0.091 1.00 0.00 C ATOM 160 CD PRO A 14 -16.867 13.768 1.125 1.00 0.00 C ATOM 0 HA PRO A 14 -16.991 10.576 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.973 11.253 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.838 11.712 0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.974 13.364 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.506 13.823 -0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.131 14.529 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.554 14.220 1.841 1.00 0.00 H new ATOM 168 N GLU A 15 -16.098 9.783 -0.724 1.00 0.00 N ATOM 169 CA GLU A 15 -15.186 9.084 -1.622 1.00 0.00 C ATOM 170 C GLU A 15 -15.416 9.510 -3.069 1.00 0.00 C ATOM 171 O GLU A 15 -14.467 9.764 -3.810 1.00 0.00 O ATOM 172 CB GLU A 15 -15.365 7.570 -1.490 1.00 0.00 C ATOM 173 CG GLU A 15 -14.209 6.768 -2.063 1.00 0.00 C ATOM 174 CD GLU A 15 -14.512 5.285 -2.146 1.00 0.00 C ATOM 175 OE1 GLU A 15 -14.267 4.572 -1.150 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.995 4.836 -3.207 1.00 0.00 O ATOM 0 H GLU A 15 -17.079 9.524 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.166 9.348 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.484 7.317 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.285 7.276 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.970 7.142 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.324 6.920 -1.445 1.00 0.00 H new ATOM 183 N GLU A 16 -16.683 9.584 -3.464 1.00 0.00 N ATOM 184 CA GLU A 16 -17.038 9.978 -4.823 1.00 0.00 C ATOM 185 C GLU A 16 -16.488 11.364 -5.149 1.00 0.00 C ATOM 186 O GLU A 16 -15.616 11.511 -6.004 1.00 0.00 O ATOM 187 CB GLU A 16 -18.557 9.965 -5.002 1.00 0.00 C ATOM 188 CG GLU A 16 -19.135 8.573 -5.195 1.00 0.00 C ATOM 189 CD GLU A 16 -20.513 8.597 -5.828 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.482 8.956 -5.128 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.622 8.255 -7.024 1.00 0.00 O ATOM 0 H GLU A 16 -17.481 9.376 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.593 9.258 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.021 10.424 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.818 10.580 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.462 7.987 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.191 8.070 -4.230 1.00 0.00 H new ATOM 198 N GLU A 17 -17.006 12.376 -4.460 1.00 0.00 N ATOM 199 CA GLU A 17 -16.569 13.750 -4.678 1.00 0.00 C ATOM 200 C GLU A 17 -15.055 13.870 -4.524 1.00 0.00 C ATOM 201 O GLU A 17 -14.367 14.370 -5.415 1.00 0.00 O ATOM 202 CB GLU A 17 -17.267 14.693 -3.696 1.00 0.00 C ATOM 203 CG GLU A 17 -18.754 14.859 -3.965 1.00 0.00 C ATOM 204 CD GLU A 17 -19.043 15.312 -5.383 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.595 16.417 -5.755 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.717 14.562 -6.120 1.00 0.00 O ATOM 0 H GLU A 17 -17.728 12.270 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.838 14.032 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.129 14.316 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.787 15.671 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.261 13.912 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.167 15.584 -3.264 1.00 0.00 H new ATOM 213 N PHE A 18 -14.543 13.407 -3.389 1.00 0.00 N ATOM 214 CA PHE A 18 -13.111 13.463 -3.117 1.00 0.00 C ATOM 215 C PHE A 18 -12.307 13.292 -4.403 1.00 0.00 C ATOM 216 O PHE A 18 -11.514 14.160 -4.772 1.00 0.00 O ATOM 217 CB PHE A 18 -12.719 12.380 -2.110 1.00 0.00 C ATOM 218 CG PHE A 18 -11.264 12.012 -2.161 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.803 11.075 -3.071 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.356 12.604 -1.297 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.465 10.735 -3.121 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.016 12.268 -1.342 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.570 11.332 -2.254 1.00 0.00 C ATOM 0 H PHE A 18 -15.098 12.989 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.884 14.442 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.963 12.724 -1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.318 11.488 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.498 10.604 -3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.699 13.336 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.119 10.004 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.318 12.737 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.524 11.067 -2.290 1.00 0.00 H new ATOM 233 N LEU A 19 -12.515 12.169 -5.079 1.00 0.00 N ATOM 234 CA LEU A 19 -11.809 11.883 -6.324 1.00 0.00 C ATOM 235 C LEU A 19 -11.874 13.075 -7.273 1.00 0.00 C ATOM 236 O LEU A 19 -10.880 13.433 -7.905 1.00 0.00 O ATOM 237 CB LEU A 19 -12.406 10.646 -6.999 1.00 0.00 C ATOM 238 CG LEU A 19 -12.364 9.352 -6.186 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.204 8.275 -6.854 1.00 0.00 C ATOM 240 CD2 LEU A 19 -10.928 8.879 -6.010 1.00 0.00 C ATOM 0 H LEU A 19 -13.167 11.441 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.763 11.690 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.445 10.860 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.878 10.479 -7.938 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.783 9.551 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.162 7.361 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.238 8.613 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.815 8.078 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.917 7.957 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.482 8.697 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.354 9.644 -5.487 1.00 0.00 H new ATOM 252 N ARG A 20 -13.049 13.688 -7.365 1.00 0.00 N ATOM 253 CA ARG A 20 -13.243 14.841 -8.236 1.00 0.00 C ATOM 254 C ARG A 20 -12.315 15.985 -7.838 1.00 0.00 C ATOM 255 O ARG A 20 -11.905 16.786 -8.679 1.00 0.00 O ATOM 256 CB ARG A 20 -14.699 15.309 -8.182 1.00 0.00 C ATOM 257 CG ARG A 20 -15.706 14.194 -8.410 1.00 0.00 C ATOM 258 CD ARG A 20 -17.135 14.709 -8.329 1.00 0.00 C ATOM 259 NE ARG A 20 -18.110 13.622 -8.355 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.568 13.072 -9.474 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.141 13.504 -10.652 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.455 12.087 -9.415 1.00 0.00 N ATOM 0 H ARG A 20 -13.881 13.406 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.003 14.539 -9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.889 15.766 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.851 16.084 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.536 13.743 -9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.558 13.411 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.261 15.287 -7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.324 15.386 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.458 13.266 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.459 14.261 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.495 13.080 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.785 11.752 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.806 11.665 -10.275 1.00 0.00 H new ATOM 276 N ARG A 21 -11.988 16.055 -6.552 1.00 0.00 N ATOM 277 CA ARG A 21 -11.110 17.101 -6.043 1.00 0.00 C ATOM 278 C ARG A 21 -9.655 16.813 -6.402 1.00 0.00 C ATOM 279 O ARG A 21 -9.026 17.571 -7.139 1.00 0.00 O ATOM 280 CB ARG A 21 -11.256 17.226 -4.525 1.00 0.00 C ATOM 281 CG ARG A 21 -12.524 17.943 -4.092 1.00 0.00 C ATOM 282 CD ARG A 21 -12.360 18.590 -2.726 1.00 0.00 C ATOM 283 NE ARG A 21 -12.172 17.599 -1.670 1.00 0.00 N ATOM 284 CZ ARG A 21 -11.525 17.846 -0.536 1.00 0.00 C ATOM 285 NH1 ARG A 21 -11.008 19.047 -0.313 1.00 0.00 N ATOM 286 NH2 ARG A 21 -11.395 16.893 0.377 1.00 0.00 N ATOM 0 H ARG A 21 -12.318 15.400 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.402 18.043 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.244 16.229 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.393 17.761 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.782 18.705 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.352 17.235 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.505 19.266 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.239 19.195 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.559 16.666 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.107 19.783 -1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.512 19.235 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.792 15.969 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.898 17.084 1.247 1.00 0.00 H new ATOM 300 N ASN A 22 -9.128 15.712 -5.876 1.00 0.00 N ATOM 301 CA ASN A 22 -7.747 15.324 -6.140 1.00 0.00 C ATOM 302 C ASN A 22 -7.687 14.182 -7.150 1.00 0.00 C ATOM 303 O ASN A 22 -8.134 13.069 -6.872 1.00 0.00 O ATOM 304 CB ASN A 22 -7.054 14.908 -4.841 1.00 0.00 C ATOM 305 CG ASN A 22 -8.008 14.251 -3.862 1.00 0.00 C ATOM 306 OD1 ASN A 22 -8.334 14.960 -2.787 1.00 0.00 O flip ATOM 307 ND2 ASN A 22 -8.447 13.120 -4.070 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.636 15.073 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.228 16.185 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.241 14.219 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.606 15.785 -4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.169 12.612 -4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.088 12.691 -3.403 1.00 0.00 H new ATOM 314 N LYS A 23 -7.130 14.465 -8.323 1.00 0.00 N ATOM 315 CA LYS A 23 -7.009 13.462 -9.374 1.00 0.00 C ATOM 316 C LYS A 23 -5.719 12.663 -9.218 1.00 0.00 C ATOM 317 O LYS A 23 -5.640 11.507 -9.630 1.00 0.00 O ATOM 318 CB LYS A 23 -7.043 14.131 -10.751 1.00 0.00 C ATOM 319 CG LYS A 23 -5.869 15.060 -11.005 1.00 0.00 C ATOM 320 CD LYS A 23 -5.513 15.117 -12.481 1.00 0.00 C ATOM 321 CE LYS A 23 -4.840 16.432 -12.842 1.00 0.00 C ATOM 322 NZ LYS A 23 -3.889 16.276 -13.977 1.00 0.00 N ATOM 0 H LYS A 23 -6.755 15.381 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.853 12.777 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.058 13.359 -11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.970 14.696 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.112 16.061 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.005 14.720 -10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.850 14.288 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.416 14.993 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.600 17.169 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.308 16.818 -11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.451 17.195 -14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.149 15.592 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.401 15.932 -14.814 1.00 0.00 H new ATOM 336 N GLY A 24 -4.710 13.288 -8.617 1.00 0.00 N ATOM 337 CA GLY A 24 -3.438 12.618 -8.416 1.00 0.00 C ATOM 338 C GLY A 24 -2.639 12.495 -9.698 1.00 0.00 C ATOM 339 O GLY A 24 -2.849 13.234 -10.659 1.00 0.00 O ATOM 0 H GLY A 24 -4.751 14.245 -8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.854 13.168 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.615 11.624 -8.005 1.00 0.00 H new ATOM 343 N PRO A 25 -1.696 11.541 -9.722 1.00 0.00 N ATOM 344 CA PRO A 25 -1.437 10.655 -8.583 1.00 0.00 C ATOM 345 C PRO A 25 -0.801 11.391 -7.409 1.00 0.00 C ATOM 346 O PRO A 25 -0.253 12.482 -7.570 1.00 0.00 O ATOM 347 CB PRO A 25 -0.465 9.619 -9.154 1.00 0.00 C ATOM 348 CG PRO A 25 0.212 10.316 -10.283 1.00 0.00 C ATOM 349 CD PRO A 25 -0.810 11.254 -10.863 1.00 0.00 C ATOM 0 HA PRO A 25 -2.356 10.224 -8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.254 9.294 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.992 8.729 -9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.089 10.861 -9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.556 9.603 -11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.348 12.162 -11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.354 10.795 -11.689 1.00 0.00 H new ATOM 357 N VAL A 26 -0.877 10.788 -6.227 1.00 0.00 N ATOM 358 CA VAL A 26 -0.307 11.386 -5.026 1.00 0.00 C ATOM 359 C VAL A 26 0.998 10.700 -4.636 1.00 0.00 C ATOM 360 O VAL A 26 1.115 9.477 -4.710 1.00 0.00 O ATOM 361 CB VAL A 26 -1.288 11.308 -3.841 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.563 12.076 -4.152 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.598 9.858 -3.500 1.00 0.00 C ATOM 0 H VAL A 26 -1.328 9.886 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.109 12.433 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.818 11.769 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.244 12.010 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.321 13.122 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.040 11.648 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.292 9.822 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.048 9.369 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.676 9.343 -3.231 1.00 0.00 H new ATOM 373 N SER A 27 1.978 11.497 -4.221 1.00 0.00 N ATOM 374 CA SER A 27 3.277 10.967 -3.823 1.00 0.00 C ATOM 375 C SER A 27 3.359 10.812 -2.307 1.00 0.00 C ATOM 376 O SER A 27 3.472 11.797 -1.577 1.00 0.00 O ATOM 377 CB SER A 27 4.398 11.885 -4.314 1.00 0.00 C ATOM 378 OG SER A 27 5.655 11.473 -3.806 1.00 0.00 O ATOM 0 H SER A 27 1.897 12.511 -4.152 1.00 0.00 H new ATOM 0 HA SER A 27 3.396 9.984 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.424 11.881 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.195 12.910 -4.003 1.00 0.00 H new ATOM 0 HG SER A 27 6.354 12.075 -4.136 1.00 0.00 H new ATOM 384 N ILE A 28 3.301 9.568 -1.842 1.00 0.00 N ATOM 385 CA ILE A 28 3.370 9.283 -0.415 1.00 0.00 C ATOM 386 C ILE A 28 4.765 8.816 -0.014 1.00 0.00 C ATOM 387 O ILE A 28 5.458 8.156 -0.789 1.00 0.00 O ATOM 388 CB ILE A 28 2.344 8.210 -0.005 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.844 6.819 -0.400 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.994 8.496 -0.645 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.676 6.149 0.671 1.00 0.00 C ATOM 0 H ILE A 28 3.206 8.742 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 28 3.138 10.213 0.104 1.00 0.00 H new ATOM 0 HB ILE A 28 2.223 8.238 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.987 6.186 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.437 6.900 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.280 7.729 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.636 9.472 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.098 8.492 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.996 5.167 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.552 6.761 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.080 6.036 1.577 1.00 0.00 H new ATOM 403 N LYS A 29 5.172 9.162 1.203 1.00 0.00 N ATOM 404 CA LYS A 29 6.483 8.776 1.710 1.00 0.00 C ATOM 405 C LYS A 29 6.352 7.774 2.853 1.00 0.00 C ATOM 406 O LYS A 29 5.712 8.054 3.867 1.00 0.00 O ATOM 407 CB LYS A 29 7.252 10.011 2.187 1.00 0.00 C ATOM 408 CG LYS A 29 8.759 9.883 2.041 1.00 0.00 C ATOM 409 CD LYS A 29 9.492 10.746 3.054 1.00 0.00 C ATOM 410 CE LYS A 29 10.991 10.493 3.020 1.00 0.00 C ATOM 411 NZ LYS A 29 11.647 11.196 1.882 1.00 0.00 N ATOM 0 H LYS A 29 4.612 9.709 1.857 1.00 0.00 H new ATOM 0 HA LYS A 29 7.034 8.303 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.913 10.880 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.011 10.197 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.051 8.841 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.054 10.174 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.295 11.798 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.110 10.540 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.437 10.825 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.177 9.422 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.668 10.998 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.240 10.861 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.492 12.220 1.971 1.00 0.00 H new ATOM 425 N VAL A 30 6.963 6.606 2.682 1.00 0.00 N ATOM 426 CA VAL A 30 6.916 5.563 3.700 1.00 0.00 C ATOM 427 C VAL A 30 8.131 5.635 4.617 1.00 0.00 C ATOM 428 O VAL A 30 9.245 5.298 4.215 1.00 0.00 O ATOM 429 CB VAL A 30 6.848 4.161 3.066 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.925 3.085 4.138 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.579 4.012 2.239 1.00 0.00 C ATOM 0 H VAL A 30 7.496 6.358 1.848 1.00 0.00 H new ATOM 0 HA VAL A 30 6.012 5.733 4.285 1.00 0.00 H new ATOM 0 HB VAL A 30 7.704 4.040 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.875 2.102 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.864 3.181 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.091 3.200 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.547 3.016 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.709 4.154 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.572 4.760 1.446 1.00 0.00 H new ATOM 441 N GLN A 31 7.910 6.076 5.851 1.00 0.00 N ATOM 442 CA GLN A 31 8.988 6.193 6.826 1.00 0.00 C ATOM 443 C GLN A 31 9.378 4.823 7.373 1.00 0.00 C ATOM 444 O GLN A 31 8.674 4.253 8.206 1.00 0.00 O ATOM 445 CB GLN A 31 8.570 7.113 7.973 1.00 0.00 C ATOM 446 CG GLN A 31 9.743 7.691 8.748 1.00 0.00 C ATOM 447 CD GLN A 31 10.802 6.654 9.064 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.658 5.868 10.000 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.875 6.645 8.281 1.00 0.00 N ATOM 0 H GLN A 31 6.994 6.358 6.200 1.00 0.00 H new ATOM 0 HA GLN A 31 9.854 6.623 6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.972 7.931 7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.931 6.557 8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.192 8.499 8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.379 8.128 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.954 7.315 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.620 5.968 8.445 1.00 0.00 H new ATOM 458 N VAL A 32 10.504 4.300 6.898 1.00 0.00 N ATOM 459 CA VAL A 32 10.987 2.998 7.340 1.00 0.00 C ATOM 460 C VAL A 32 11.882 3.131 8.567 1.00 0.00 C ATOM 461 O VAL A 32 12.996 3.651 8.501 1.00 0.00 O ATOM 462 CB VAL A 32 11.770 2.281 6.224 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.149 0.873 6.656 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.958 2.253 4.938 1.00 0.00 C ATOM 0 H VAL A 32 11.098 4.758 6.207 1.00 0.00 H new ATOM 0 HA VAL A 32 10.109 2.406 7.596 1.00 0.00 H new ATOM 0 HB VAL A 32 12.689 2.836 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.701 0.383 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.772 0.922 7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.245 0.304 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.526 1.743 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.022 1.723 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.744 3.274 4.621 1.00 0.00 H new ATOM 474 N PRO A 33 11.385 2.651 9.717 1.00 0.00 N ATOM 475 CA PRO A 33 12.123 2.704 10.982 1.00 0.00 C ATOM 476 C PRO A 33 13.322 1.762 10.993 1.00 0.00 C ATOM 477 O PRO A 33 13.331 0.745 10.302 1.00 0.00 O ATOM 478 CB PRO A 33 11.085 2.260 12.017 1.00 0.00 C ATOM 479 CG PRO A 33 10.119 1.425 11.250 1.00 0.00 C ATOM 480 CD PRO A 33 10.064 2.018 9.869 1.00 0.00 C ATOM 0 HA PRO A 33 12.537 3.694 11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.548 1.690 12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.591 3.117 12.475 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.444 0.385 11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.135 1.436 11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.895 1.254 9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.257 2.745 9.775 1.00 0.00 H new ATOM 488 N ASN A 34 14.334 2.109 11.783 1.00 0.00 N ATOM 489 CA ASN A 34 15.539 1.294 11.884 1.00 0.00 C ATOM 490 C ASN A 34 15.406 0.262 13.000 1.00 0.00 C ATOM 491 O ASN A 34 15.398 0.607 14.181 1.00 0.00 O ATOM 492 CB ASN A 34 16.759 2.181 12.138 1.00 0.00 C ATOM 493 CG ASN A 34 17.982 1.380 12.543 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.065 0.180 12.284 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.937 2.044 13.184 1.00 0.00 N ATOM 0 H ASN A 34 14.343 2.949 12.362 1.00 0.00 H new ATOM 0 HA ASN A 34 15.671 0.767 10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.984 2.752 11.237 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.524 2.902 12.921 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.783 1.559 13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.825 3.039 13.377 1.00 0.00 H new ATOM 502 N MET A 35 15.302 -1.006 12.616 1.00 0.00 N ATOM 503 CA MET A 35 15.171 -2.089 13.583 1.00 0.00 C ATOM 504 C MET A 35 16.522 -2.747 13.849 1.00 0.00 C ATOM 505 O MET A 35 17.000 -3.547 13.046 1.00 0.00 O ATOM 506 CB MET A 35 14.172 -3.133 13.081 1.00 0.00 C ATOM 507 CG MET A 35 12.740 -2.858 13.509 1.00 0.00 C ATOM 508 SD MET A 35 12.438 -3.279 15.236 1.00 0.00 S ATOM 509 CE MET A 35 10.654 -3.131 15.314 1.00 0.00 C ATOM 0 H MET A 35 15.306 -1.309 11.642 1.00 0.00 H new ATOM 0 HA MET A 35 14.803 -1.665 14.517 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.216 -3.172 11.993 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.470 -4.115 13.448 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.514 -1.803 13.351 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.060 -3.428 12.876 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.297 -3.530 16.264 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.372 -2.081 15.232 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.206 -3.692 14.494 1.00 0.00 H new ATOM 519 N GLN A 36 17.130 -2.404 14.980 1.00 0.00 N ATOM 520 CA GLN A 36 18.426 -2.961 15.349 1.00 0.00 C ATOM 521 C GLN A 36 18.330 -4.468 15.561 1.00 0.00 C ATOM 522 O GLN A 36 19.278 -5.205 15.288 1.00 0.00 O ATOM 523 CB GLN A 36 18.951 -2.288 16.618 1.00 0.00 C ATOM 524 CG GLN A 36 20.259 -2.877 17.123 1.00 0.00 C ATOM 525 CD GLN A 36 20.978 -1.958 18.090 1.00 0.00 C ATOM 526 OE1 GLN A 36 21.013 -0.742 17.899 1.00 0.00 O ATOM 527 NE2 GLN A 36 21.558 -2.536 19.136 1.00 0.00 N ATOM 0 H GLN A 36 16.746 -1.744 15.656 1.00 0.00 H new ATOM 0 HA GLN A 36 19.121 -2.771 14.531 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.092 -1.225 16.424 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.198 -2.372 17.402 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.059 -3.829 17.614 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.910 -3.086 16.274 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.504 -3.548 19.255 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.058 -1.968 19.820 1.00 0.00 H new ATOM 536 N ASP A 37 17.179 -4.920 16.049 1.00 0.00 N ATOM 537 CA ASP A 37 16.959 -6.340 16.297 1.00 0.00 C ATOM 538 C ASP A 37 17.602 -7.189 15.204 1.00 0.00 C ATOM 539 O ASP A 37 17.973 -8.340 15.435 1.00 0.00 O ATOM 540 CB ASP A 37 15.461 -6.639 16.376 1.00 0.00 C ATOM 541 CG ASP A 37 14.890 -6.371 17.755 1.00 0.00 C ATOM 542 OD1 ASP A 37 14.905 -5.199 18.185 1.00 0.00 O ATOM 543 OD2 ASP A 37 14.428 -7.333 18.403 1.00 0.00 O ATOM 0 H ASP A 37 16.385 -4.323 16.280 1.00 0.00 H new ATOM 0 HA ASP A 37 17.424 -6.593 17.250 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.933 -6.030 15.642 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.287 -7.682 16.110 1.00 0.00 H new ATOM 548 N LYS A 38 17.732 -6.613 14.014 1.00 0.00 N ATOM 549 CA LYS A 38 18.330 -7.315 12.885 1.00 0.00 C ATOM 550 C LYS A 38 17.444 -8.471 12.431 1.00 0.00 C ATOM 551 O LYS A 38 17.912 -9.598 12.265 1.00 0.00 O ATOM 552 CB LYS A 38 19.718 -7.839 13.261 1.00 0.00 C ATOM 553 CG LYS A 38 20.544 -8.286 12.067 1.00 0.00 C ATOM 554 CD LYS A 38 21.190 -7.105 11.362 1.00 0.00 C ATOM 555 CE LYS A 38 22.318 -7.552 10.446 1.00 0.00 C ATOM 556 NZ LYS A 38 21.804 -8.152 9.184 1.00 0.00 N ATOM 0 H LYS A 38 17.431 -5.661 13.806 1.00 0.00 H new ATOM 0 HA LYS A 38 18.426 -6.609 12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 38 20.260 -7.058 13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 38 19.607 -8.677 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 21.316 -8.981 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 38 19.908 -8.826 11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 38 20.438 -6.571 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 38 21.577 -6.405 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 38 22.953 -6.699 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 22.941 -8.279 10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 22.604 -8.444 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 21.218 -8.982 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 21.230 -7.450 8.675 1.00 0.00 H new ATOM 570 N THR A 39 16.162 -8.185 12.231 1.00 0.00 N ATOM 571 CA THR A 39 15.211 -9.200 11.797 1.00 0.00 C ATOM 572 C THR A 39 15.316 -9.446 10.296 1.00 0.00 C ATOM 573 O THR A 39 16.191 -8.895 9.628 1.00 0.00 O ATOM 574 CB THR A 39 13.764 -8.797 12.139 1.00 0.00 C ATOM 575 OG1 THR A 39 12.858 -9.825 11.722 1.00 0.00 O ATOM 576 CG2 THR A 39 13.394 -7.485 11.465 1.00 0.00 C ATOM 0 H THR A 39 15.758 -7.258 12.363 1.00 0.00 H new ATOM 0 HA THR A 39 15.461 -10.116 12.331 1.00 0.00 H new ATOM 0 HB THR A 39 13.692 -8.665 13.219 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.940 -9.562 11.944 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.368 -7.221 11.721 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.067 -6.698 11.806 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.481 -7.594 10.384 1.00 0.00 H new ATOM 584 N GLU A 40 14.420 -10.276 9.772 1.00 0.00 N ATOM 585 CA GLU A 40 14.414 -10.594 8.349 1.00 0.00 C ATOM 586 C GLU A 40 13.661 -9.530 7.557 1.00 0.00 C ATOM 587 O GLU A 40 13.040 -9.825 6.536 1.00 0.00 O ATOM 588 CB GLU A 40 13.779 -11.966 8.113 1.00 0.00 C ATOM 589 CG GLU A 40 12.313 -12.034 8.508 1.00 0.00 C ATOM 590 CD GLU A 40 12.119 -12.210 10.002 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.943 -12.907 10.630 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.143 -11.649 10.543 1.00 0.00 O ATOM 0 H GLU A 40 13.689 -10.740 10.311 1.00 0.00 H new ATOM 0 HA GLU A 40 15.448 -10.616 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.875 -12.225 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.334 -12.716 8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.811 -11.122 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.837 -12.863 7.983 1.00 0.00 H new ATOM 599 N TRP A 41 13.720 -8.292 8.036 1.00 0.00 N ATOM 600 CA TRP A 41 13.043 -7.183 7.373 1.00 0.00 C ATOM 601 C TRP A 41 14.034 -6.089 6.994 1.00 0.00 C ATOM 602 O TRP A 41 14.914 -5.734 7.780 1.00 0.00 O ATOM 603 CB TRP A 41 11.952 -6.610 8.279 1.00 0.00 C ATOM 604 CG TRP A 41 10.883 -7.603 8.622 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.554 -8.728 7.922 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.002 -7.557 9.750 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.522 -9.385 8.547 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.166 -8.688 9.671 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.840 -6.673 10.820 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.182 -8.954 10.620 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.863 -6.938 11.761 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.045 -8.071 11.657 1.00 0.00 C ATOM 0 H TRP A 41 14.229 -8.031 8.880 1.00 0.00 H new ATOM 0 HA TRP A 41 12.584 -7.563 6.460 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.408 -6.246 9.199 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.496 -5.751 7.788 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.034 -9.054 7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.091 -10.252 8.226 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.467 -5.798 10.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.550 -9.826 10.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.728 -6.260 12.591 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.292 -8.251 12.410 1.00 0.00 H new ATOM 623 N LYS A 42 13.888 -5.555 5.786 1.00 0.00 N ATOM 624 CA LYS A 42 14.769 -4.499 5.303 1.00 0.00 C ATOM 625 C LYS A 42 14.507 -3.191 6.044 1.00 0.00 C ATOM 626 O LYS A 42 13.939 -2.252 5.484 1.00 0.00 O ATOM 627 CB LYS A 42 14.577 -4.293 3.799 1.00 0.00 C ATOM 628 CG LYS A 42 15.078 -5.454 2.958 1.00 0.00 C ATOM 629 CD LYS A 42 16.591 -5.433 2.823 1.00 0.00 C ATOM 630 CE LYS A 42 17.032 -4.632 1.608 1.00 0.00 C ATOM 631 NZ LYS A 42 18.428 -4.959 1.205 1.00 0.00 N ATOM 0 H LYS A 42 13.166 -5.837 5.123 1.00 0.00 H new ATOM 0 HA LYS A 42 15.798 -4.804 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.518 -4.137 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.097 -3.384 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.765 -6.395 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.623 -5.411 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.031 -5.003 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.964 -6.454 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.357 -4.833 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.958 -3.567 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.691 -4.392 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.075 -4.743 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.494 -5.970 0.970 1.00 0.00 H new ATOM 645 N LEU A 43 14.926 -3.136 7.303 1.00 0.00 N ATOM 646 CA LEU A 43 14.738 -1.942 8.120 1.00 0.00 C ATOM 647 C LEU A 43 16.080 -1.359 8.550 1.00 0.00 C ATOM 648 O LEU A 43 16.702 -1.840 9.497 1.00 0.00 O ATOM 649 CB LEU A 43 13.894 -2.271 9.352 1.00 0.00 C ATOM 650 CG LEU A 43 12.497 -2.831 9.079 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.809 -3.206 10.382 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.661 -1.824 8.303 1.00 0.00 C ATOM 0 H LEU A 43 15.398 -3.904 7.781 1.00 0.00 H new ATOM 0 HA LEU A 43 14.216 -1.198 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.440 -2.992 9.960 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.790 -1.365 9.949 1.00 0.00 H new ATOM 0 HG LEU A 43 12.599 -3.731 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.816 -3.603 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.398 -3.963 10.900 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.718 -2.322 11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.670 -2.239 8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.567 -0.906 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.146 -1.605 7.352 1.00 0.00 H new ATOM 664 N ASN A 44 16.521 -0.320 7.848 1.00 0.00 N ATOM 665 CA ASN A 44 17.789 0.330 8.159 1.00 0.00 C ATOM 666 C ASN A 44 17.639 1.848 8.149 1.00 0.00 C ATOM 667 O ASN A 44 18.420 2.555 7.514 1.00 0.00 O ATOM 668 CB ASN A 44 18.862 -0.094 7.154 1.00 0.00 C ATOM 669 CG ASN A 44 19.557 -1.380 7.559 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.915 -2.414 7.746 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.876 -1.321 7.697 1.00 0.00 N ATOM 0 H ASN A 44 16.019 0.090 7.060 1.00 0.00 H new ATOM 0 HA ASN A 44 18.093 0.019 9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.406 -0.224 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.601 0.701 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 44 21.398 -2.154 7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 44 21.367 -0.442 7.532 1.00 0.00 H new ATOM 678 N GLY A 45 16.629 2.343 8.859 1.00 0.00 N ATOM 679 CA GLY A 45 16.396 3.774 8.919 1.00 0.00 C ATOM 680 C GLY A 45 16.469 4.431 7.555 1.00 0.00 C ATOM 681 O GLY A 45 17.530 4.894 7.139 1.00 0.00 O ATOM 0 H GLY A 45 15.969 1.778 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.416 3.961 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.133 4.232 9.579 1.00 0.00 H new ATOM 685 N GLN A 46 15.338 4.470 6.857 1.00 0.00 N ATOM 686 CA GLN A 46 15.280 5.074 5.531 1.00 0.00 C ATOM 687 C GLN A 46 13.847 5.443 5.163 1.00 0.00 C ATOM 688 O GLN A 46 12.912 5.170 5.916 1.00 0.00 O ATOM 689 CB GLN A 46 15.857 4.117 4.487 1.00 0.00 C ATOM 690 CG GLN A 46 15.150 2.771 4.438 1.00 0.00 C ATOM 691 CD GLN A 46 15.696 1.865 3.352 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.473 2.296 2.500 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.290 0.601 3.376 1.00 0.00 N ATOM 0 H GLN A 46 14.451 4.091 7.187 1.00 0.00 H new ATOM 0 HA GLN A 46 15.877 5.986 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.797 4.585 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.914 3.955 4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.251 2.276 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.085 2.930 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.645 0.286 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.623 -0.055 2.670 1.00 0.00 H new ATOM 702 N GLY A 47 13.681 6.065 4.000 1.00 0.00 N ATOM 703 CA GLY A 47 12.359 6.462 3.553 1.00 0.00 C ATOM 704 C GLY A 47 12.121 6.143 2.090 1.00 0.00 C ATOM 705 O GLY A 47 12.987 6.380 1.247 1.00 0.00 O ATOM 0 H GLY A 47 14.439 6.301 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.607 5.956 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.231 7.532 3.714 1.00 0.00 H new ATOM 709 N LEU A 48 10.946 5.604 1.787 1.00 0.00 N ATOM 710 CA LEU A 48 10.597 5.250 0.416 1.00 0.00 C ATOM 711 C LEU A 48 9.522 6.184 -0.131 1.00 0.00 C ATOM 712 O LEU A 48 8.779 6.805 0.629 1.00 0.00 O ATOM 713 CB LEU A 48 10.111 3.801 0.349 1.00 0.00 C ATOM 714 CG LEU A 48 11.064 2.748 0.915 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.460 1.358 0.786 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.411 2.813 0.210 1.00 0.00 C ATOM 0 H LEU A 48 10.218 5.402 2.473 1.00 0.00 H new ATOM 0 HA LEU A 48 11.491 5.355 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.164 3.731 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.907 3.555 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 48 11.220 2.958 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.152 0.621 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.520 1.317 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.274 1.138 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.076 2.056 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.273 2.629 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.850 3.800 0.354 1.00 0.00 H new ATOM 728 N VAL A 49 9.444 6.278 -1.455 1.00 0.00 N ATOM 729 CA VAL A 49 8.457 7.133 -2.104 1.00 0.00 C ATOM 730 C VAL A 49 7.800 6.420 -3.280 1.00 0.00 C ATOM 731 O VAL A 49 8.467 5.734 -4.055 1.00 0.00 O ATOM 732 CB VAL A 49 9.093 8.444 -2.603 1.00 0.00 C ATOM 733 CG1 VAL A 49 8.057 9.305 -3.310 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.728 9.202 -1.446 1.00 0.00 C ATOM 0 H VAL A 49 10.053 5.773 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 49 7.699 7.366 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 49 9.876 8.198 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.525 10.227 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.653 8.761 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.250 9.545 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.173 10.126 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.966 9.439 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.501 8.585 -0.988 1.00 0.00 H new ATOM 744 N PHE A 50 6.488 6.586 -3.408 1.00 0.00 N ATOM 745 CA PHE A 50 5.740 5.958 -4.490 1.00 0.00 C ATOM 746 C PHE A 50 4.612 6.866 -4.970 1.00 0.00 C ATOM 747 O PHE A 50 3.937 7.515 -4.170 1.00 0.00 O ATOM 748 CB PHE A 50 5.167 4.615 -4.030 1.00 0.00 C ATOM 749 CG PHE A 50 6.121 3.812 -3.192 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.366 3.457 -3.685 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.772 3.413 -1.912 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.247 2.719 -2.916 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.648 2.674 -1.139 1.00 0.00 C ATOM 754 CZ PHE A 50 7.886 2.326 -1.642 1.00 0.00 C ATOM 0 H PHE A 50 5.921 7.150 -2.775 1.00 0.00 H new ATOM 0 HA PHE A 50 6.425 5.788 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.256 4.794 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.884 4.031 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.652 3.760 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.805 3.682 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.216 2.450 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.364 2.369 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.571 1.747 -1.040 1.00 0.00 H new ATOM 764 N THR A 51 4.413 6.908 -6.284 1.00 0.00 N ATOM 765 CA THR A 51 3.369 7.738 -6.873 1.00 0.00 C ATOM 766 C THR A 51 2.272 6.882 -7.496 1.00 0.00 C ATOM 767 O THR A 51 2.474 6.258 -8.539 1.00 0.00 O ATOM 768 CB THR A 51 3.941 8.682 -7.948 1.00 0.00 C ATOM 769 OG1 THR A 51 5.084 9.374 -7.434 1.00 0.00 O ATOM 770 CG2 THR A 51 2.892 9.687 -8.398 1.00 0.00 C ATOM 0 H THR A 51 4.961 6.377 -6.961 1.00 0.00 H new ATOM 0 HA THR A 51 2.946 8.334 -6.065 1.00 0.00 H new ATOM 0 HB THR A 51 4.238 8.081 -8.808 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.443 9.971 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.318 10.343 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.036 9.157 -8.816 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.569 10.282 -7.544 1.00 0.00 H new ATOM 778 N LEU A 52 1.111 6.856 -6.851 1.00 0.00 N ATOM 779 CA LEU A 52 -0.019 6.076 -7.343 1.00 0.00 C ATOM 780 C LEU A 52 -1.319 6.866 -7.224 1.00 0.00 C ATOM 781 O LEU A 52 -1.538 7.607 -6.266 1.00 0.00 O ATOM 782 CB LEU A 52 -0.135 4.763 -6.567 1.00 0.00 C ATOM 783 CG LEU A 52 1.163 3.977 -6.382 1.00 0.00 C ATOM 784 CD1 LEU A 52 0.942 2.794 -5.452 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.699 3.508 -7.726 1.00 0.00 C ATOM 0 H LEU A 52 0.928 7.366 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 52 0.156 5.854 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.548 4.981 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.854 4.124 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 52 1.903 4.636 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.877 2.246 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.605 3.153 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.186 2.133 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.623 2.950 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.962 2.865 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.896 4.372 -8.361 1.00 0.00 H new ATOM 797 N PRO A 53 -2.203 6.705 -8.220 1.00 0.00 N ATOM 798 CA PRO A 53 -3.497 7.392 -8.249 1.00 0.00 C ATOM 799 C PRO A 53 -4.455 6.871 -7.182 1.00 0.00 C ATOM 800 O PRO A 53 -4.241 5.801 -6.611 1.00 0.00 O ATOM 801 CB PRO A 53 -4.034 7.080 -9.648 1.00 0.00 C ATOM 802 CG PRO A 53 -3.369 5.804 -10.032 1.00 0.00 C ATOM 803 CD PRO A 53 -2.008 5.837 -9.394 1.00 0.00 C ATOM 0 HA PRO A 53 -3.396 8.458 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.119 6.975 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.795 7.878 -10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.942 4.945 -9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.290 5.716 -11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.675 4.840 -9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.256 6.241 -10.072 1.00 0.00 H new ATOM 811 N LEU A 54 -5.510 7.633 -6.918 1.00 0.00 N ATOM 812 CA LEU A 54 -6.502 7.248 -5.920 1.00 0.00 C ATOM 813 C LEU A 54 -7.605 6.402 -6.546 1.00 0.00 C ATOM 814 O LEU A 54 -8.651 6.918 -6.940 1.00 0.00 O ATOM 815 CB LEU A 54 -7.106 8.492 -5.266 1.00 0.00 C ATOM 816 CG LEU A 54 -6.186 9.270 -4.325 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.604 8.348 -3.264 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.074 9.952 -5.109 1.00 0.00 C ATOM 0 H LEU A 54 -5.701 8.522 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.001 6.651 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.440 9.166 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.992 8.190 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.776 10.039 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.952 8.919 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.413 7.907 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.030 7.556 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.429 10.501 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.487 9.200 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.509 10.644 -5.830 1.00 0.00 H new ATOM 830 N THR A 55 -7.366 5.097 -6.634 1.00 0.00 N ATOM 831 CA THR A 55 -8.339 4.178 -7.211 1.00 0.00 C ATOM 832 C THR A 55 -8.627 3.017 -6.266 1.00 0.00 C ATOM 833 O THR A 55 -9.768 2.806 -5.857 1.00 0.00 O ATOM 834 CB THR A 55 -7.851 3.618 -8.561 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.420 3.555 -8.577 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.338 4.483 -9.713 1.00 0.00 C ATOM 0 H THR A 55 -6.506 4.653 -6.313 1.00 0.00 H new ATOM 0 HA THR A 55 -9.255 4.747 -7.372 1.00 0.00 H new ATOM 0 HB THR A 55 -8.260 2.615 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.118 3.196 -9.438 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.981 4.068 -10.656 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.428 4.505 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.955 5.496 -9.594 1.00 0.00 H new ATOM 844 N ASP A 56 -7.585 2.268 -5.923 1.00 0.00 N ATOM 845 CA ASP A 56 -7.726 1.128 -5.024 1.00 0.00 C ATOM 846 C ASP A 56 -7.625 1.570 -3.567 1.00 0.00 C ATOM 847 O ASP A 56 -7.548 2.763 -3.275 1.00 0.00 O ATOM 848 CB ASP A 56 -6.657 0.077 -5.326 1.00 0.00 C ATOM 849 CG ASP A 56 -7.081 -0.882 -6.420 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.735 -1.897 -6.099 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.760 -0.618 -7.598 1.00 0.00 O ATOM 0 H ASP A 56 -6.634 2.429 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.711 0.689 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.734 0.576 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.438 -0.486 -4.418 1.00 0.00 H new ATOM 856 N GLN A 57 -7.627 0.599 -2.659 1.00 0.00 N ATOM 857 CA GLN A 57 -7.538 0.889 -1.232 1.00 0.00 C ATOM 858 C GLN A 57 -6.083 0.943 -0.778 1.00 0.00 C ATOM 859 O GLN A 57 -5.164 0.795 -1.584 1.00 0.00 O ATOM 860 CB GLN A 57 -8.297 -0.167 -0.428 1.00 0.00 C ATOM 861 CG GLN A 57 -9.743 -0.341 -0.863 1.00 0.00 C ATOM 862 CD GLN A 57 -10.470 -1.403 -0.062 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.850 -2.197 0.646 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.794 -1.423 -0.169 1.00 0.00 N ATOM 0 H GLN A 57 -7.689 -0.394 -2.885 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.991 1.865 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.781 -1.123 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.274 0.106 0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.267 0.609 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.771 -0.606 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.268 -0.746 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.337 -2.115 0.347 1.00 0.00 H new ATOM 873 N VAL A 58 -5.881 1.157 0.518 1.00 0.00 N ATOM 874 CA VAL A 58 -4.538 1.230 1.081 1.00 0.00 C ATOM 875 C VAL A 58 -3.781 -0.076 0.868 1.00 0.00 C ATOM 876 O VAL A 58 -2.558 -0.124 0.996 1.00 0.00 O ATOM 877 CB VAL A 58 -4.576 1.549 2.587 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.221 1.283 3.224 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.008 2.990 2.815 1.00 0.00 C ATOM 0 H VAL A 58 -6.631 1.283 1.198 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.021 2.036 0.560 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.308 0.895 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.268 1.514 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.956 0.234 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.466 1.910 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.029 3.198 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.302 3.663 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.002 3.142 2.396 1.00 0.00 H new ATOM 889 N SER A 59 -4.517 -1.134 0.542 1.00 0.00 N ATOM 890 CA SER A 59 -3.916 -2.442 0.315 1.00 0.00 C ATOM 891 C SER A 59 -2.816 -2.359 -0.740 1.00 0.00 C ATOM 892 O SER A 59 -1.763 -2.982 -0.605 1.00 0.00 O ATOM 893 CB SER A 59 -4.983 -3.448 -0.123 1.00 0.00 C ATOM 894 OG SER A 59 -5.619 -3.029 -1.318 1.00 0.00 O ATOM 0 H SER A 59 -5.530 -1.110 0.429 1.00 0.00 H new ATOM 0 HA SER A 59 -3.472 -2.778 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.525 -4.426 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.725 -3.563 0.667 1.00 0.00 H new ATOM 0 HG SER A 59 -6.295 -3.689 -1.578 1.00 0.00 H new ATOM 900 N VAL A 60 -3.069 -1.585 -1.790 1.00 0.00 N ATOM 901 CA VAL A 60 -2.102 -1.418 -2.868 1.00 0.00 C ATOM 902 C VAL A 60 -0.856 -0.689 -2.380 1.00 0.00 C ATOM 903 O VAL A 60 0.181 -0.696 -3.045 1.00 0.00 O ATOM 904 CB VAL A 60 -2.708 -0.641 -4.051 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.860 -1.420 -4.668 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.167 0.739 -3.603 1.00 0.00 C ATOM 0 H VAL A 60 -3.936 -1.063 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.827 -2.418 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.938 -0.514 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.276 -0.855 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.497 -2.383 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.634 -1.581 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.593 1.274 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.922 0.636 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.316 1.297 -3.212 1.00 0.00 H new ATOM 916 N ILE A 61 -0.964 -0.059 -1.214 1.00 0.00 N ATOM 917 CA ILE A 61 0.155 0.674 -0.636 1.00 0.00 C ATOM 918 C ILE A 61 1.056 -0.249 0.177 1.00 0.00 C ATOM 919 O ILE A 61 2.268 -0.044 0.253 1.00 0.00 O ATOM 920 CB ILE A 61 -0.331 1.824 0.266 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.248 2.764 -0.519 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.855 2.586 0.838 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.052 3.697 0.360 1.00 0.00 C ATOM 0 H ILE A 61 -1.815 -0.042 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 61 0.722 1.091 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.899 1.401 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.645 3.356 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.932 2.169 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.495 3.395 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.472 1.909 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.448 3.001 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.679 4.334 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.682 3.112 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.375 4.318 0.947 1.00 0.00 H new ATOM 935 N LYS A 62 0.457 -1.269 0.783 1.00 0.00 N ATOM 936 CA LYS A 62 1.205 -2.227 1.588 1.00 0.00 C ATOM 937 C LYS A 62 1.966 -3.207 0.701 1.00 0.00 C ATOM 938 O LYS A 62 3.141 -3.489 0.937 1.00 0.00 O ATOM 939 CB LYS A 62 0.258 -2.992 2.516 1.00 0.00 C ATOM 940 CG LYS A 62 -0.219 -2.176 3.705 1.00 0.00 C ATOM 941 CD LYS A 62 -1.070 -3.010 4.648 1.00 0.00 C ATOM 942 CE LYS A 62 -1.482 -2.216 5.878 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.256 -3.046 6.841 1.00 0.00 N ATOM 0 H LYS A 62 -0.545 -1.453 0.732 1.00 0.00 H new ATOM 0 HA LYS A 62 1.926 -1.674 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.608 -3.325 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.763 -3.887 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.641 -1.780 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.796 -1.321 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.960 -3.359 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.513 -3.895 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.593 -1.823 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.083 -1.359 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.214 -2.612 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.247 -3.104 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.849 -4.002 6.881 1.00 0.00 H new ATOM 957 N VAL A 63 1.289 -3.722 -0.321 1.00 0.00 N ATOM 958 CA VAL A 63 1.903 -4.668 -1.245 1.00 0.00 C ATOM 959 C VAL A 63 3.265 -4.171 -1.716 1.00 0.00 C ATOM 960 O VAL A 63 4.210 -4.949 -1.849 1.00 0.00 O ATOM 961 CB VAL A 63 1.007 -4.915 -2.472 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.078 -3.738 -3.432 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.404 -6.207 -3.170 1.00 0.00 C ATOM 0 H VAL A 63 0.316 -3.500 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 63 2.029 -5.605 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.024 -5.014 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.438 -3.932 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.741 -2.834 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.106 -3.604 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.760 -6.366 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.442 -6.140 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.295 -7.042 -2.478 1.00 0.00 H new ATOM 973 N LYS A 64 3.360 -2.870 -1.966 1.00 0.00 N ATOM 974 CA LYS A 64 4.607 -2.267 -2.421 1.00 0.00 C ATOM 975 C LYS A 64 5.729 -2.513 -1.417 1.00 0.00 C ATOM 976 O LYS A 64 6.813 -2.967 -1.783 1.00 0.00 O ATOM 977 CB LYS A 64 4.422 -0.763 -2.636 1.00 0.00 C ATOM 978 CG LYS A 64 3.327 -0.421 -3.631 1.00 0.00 C ATOM 979 CD LYS A 64 3.865 -0.356 -5.051 1.00 0.00 C ATOM 980 CE LYS A 64 4.479 1.003 -5.353 1.00 0.00 C ATOM 981 NZ LYS A 64 5.902 1.076 -4.921 1.00 0.00 N ATOM 0 H LYS A 64 2.588 -2.212 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 64 4.882 -2.732 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.192 -0.293 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.363 -0.336 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.536 -1.169 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.880 0.537 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.614 -1.135 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.059 -0.557 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.413 1.202 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.906 1.781 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.992 1.752 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.218 0.136 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.491 1.390 -5.718 1.00 0.00 H new ATOM 995 N ILE A 65 5.460 -2.213 -0.151 1.00 0.00 N ATOM 996 CA ILE A 65 6.446 -2.404 0.906 1.00 0.00 C ATOM 997 C ILE A 65 7.086 -3.785 0.815 1.00 0.00 C ATOM 998 O ILE A 65 8.292 -3.909 0.596 1.00 0.00 O ATOM 999 CB ILE A 65 5.816 -2.233 2.301 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.210 -0.835 2.443 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.856 -2.478 3.384 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.481 -0.623 3.751 1.00 0.00 C ATOM 0 H ILE A 65 4.567 -1.837 0.168 1.00 0.00 H new ATOM 0 HA ILE A 65 7.212 -1.641 0.767 1.00 0.00 H new ATOM 0 HB ILE A 65 5.019 -2.967 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.004 -0.093 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.518 -0.662 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.396 -2.354 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.245 -3.492 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.672 -1.764 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.078 0.389 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.666 -1.342 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.174 -0.764 4.581 1.00 0.00 H new ATOM 1014 N HIS A 66 6.272 -4.822 0.985 1.00 0.00 N ATOM 1015 CA HIS A 66 6.759 -6.195 0.921 1.00 0.00 C ATOM 1016 C HIS A 66 7.617 -6.410 -0.323 1.00 0.00 C ATOM 1017 O HIS A 66 8.501 -7.265 -0.337 1.00 0.00 O ATOM 1018 CB HIS A 66 5.585 -7.175 0.919 1.00 0.00 C ATOM 1019 CG HIS A 66 6.004 -8.611 0.848 1.00 0.00 C ATOM 1020 ND1 HIS A 66 5.983 -9.344 -0.320 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.458 -9.450 1.809 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.405 -10.572 -0.074 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.699 -10.662 1.210 1.00 0.00 N ATOM 0 H HIS A 66 5.272 -4.737 1.168 1.00 0.00 H new ATOM 0 HA HIS A 66 7.374 -6.377 1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.993 -7.022 1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.937 -6.952 0.071 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.603 -9.211 2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.494 -11.367 -0.800 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.049 -11.497 1.681 1.00 0.00 H new ATOM 1032 N GLU A 67 7.348 -5.627 -1.363 1.00 0.00 N ATOM 1033 CA GLU A 67 8.096 -5.733 -2.611 1.00 0.00 C ATOM 1034 C GLU A 67 9.569 -5.400 -2.393 1.00 0.00 C ATOM 1035 O GLU A 67 10.446 -6.231 -2.628 1.00 0.00 O ATOM 1036 CB GLU A 67 7.501 -4.801 -3.668 1.00 0.00 C ATOM 1037 CG GLU A 67 7.590 -5.349 -5.083 1.00 0.00 C ATOM 1038 CD GLU A 67 8.922 -6.017 -5.367 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.945 -5.302 -5.416 1.00 0.00 O ATOM 1040 OE2 GLU A 67 8.941 -7.253 -5.541 1.00 0.00 O ATOM 0 H GLU A 67 6.619 -4.913 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 67 8.023 -6.762 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.455 -4.612 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.017 -3.842 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.786 -6.068 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.436 -4.537 -5.794 1.00 0.00 H new ATOM 1047 N ALA A 68 9.832 -4.177 -1.943 1.00 0.00 N ATOM 1048 CA ALA A 68 11.198 -3.734 -1.691 1.00 0.00 C ATOM 1049 C ALA A 68 11.764 -4.385 -0.434 1.00 0.00 C ATOM 1050 O ALA A 68 12.770 -5.093 -0.488 1.00 0.00 O ATOM 1051 CB ALA A 68 11.246 -2.218 -1.571 1.00 0.00 C ATOM 0 H ALA A 68 9.118 -3.476 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 68 11.815 -4.041 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.272 -1.900 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.891 -1.768 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.610 -1.898 -0.746 1.00 0.00 H new ATOM 1057 N THR A 69 11.112 -4.140 0.699 1.00 0.00 N ATOM 1058 CA THR A 69 11.552 -4.701 1.970 1.00 0.00 C ATOM 1059 C THR A 69 10.920 -6.066 2.217 1.00 0.00 C ATOM 1060 O THR A 69 9.881 -6.392 1.645 1.00 0.00 O ATOM 1061 CB THR A 69 11.205 -3.768 3.145 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.785 -3.615 3.248 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.855 -2.404 2.963 1.00 0.00 C ATOM 0 H THR A 69 10.278 -3.557 0.762 1.00 0.00 H new ATOM 0 HA THR A 69 12.635 -4.811 1.909 1.00 0.00 H new ATOM 0 HB THR A 69 11.588 -4.217 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.366 -3.876 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.596 -1.762 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.938 -2.520 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.498 -1.951 2.038 1.00 0.00 H new ATOM 1071 N GLY A 70 11.555 -6.861 3.073 1.00 0.00 N ATOM 1072 CA GLY A 70 11.039 -8.182 3.380 1.00 0.00 C ATOM 1073 C GLY A 70 9.951 -8.149 4.435 1.00 0.00 C ATOM 1074 O GLY A 70 9.791 -9.099 5.201 1.00 0.00 O ATOM 0 H GLY A 70 12.417 -6.614 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.645 -8.635 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.856 -8.817 3.724 1.00 0.00 H new ATOM 1078 N MET A 71 9.203 -7.051 4.477 1.00 0.00 N ATOM 1079 CA MET A 71 8.125 -6.898 5.447 1.00 0.00 C ATOM 1080 C MET A 71 6.785 -7.300 4.839 1.00 0.00 C ATOM 1081 O MET A 71 6.417 -6.865 3.747 1.00 0.00 O ATOM 1082 CB MET A 71 8.060 -5.453 5.946 1.00 0.00 C ATOM 1083 CG MET A 71 7.435 -5.314 7.324 1.00 0.00 C ATOM 1084 SD MET A 71 7.710 -3.686 8.050 1.00 0.00 S ATOM 1085 CE MET A 71 7.371 -4.023 9.776 1.00 0.00 C ATOM 0 H MET A 71 9.324 -6.255 3.851 1.00 0.00 H new ATOM 0 HA MET A 71 8.333 -7.556 6.290 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.068 -5.040 5.970 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.488 -4.857 5.235 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.363 -5.500 7.253 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.848 -6.077 7.985 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.912 -3.147 10.234 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.691 -4.872 9.854 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.303 -4.256 10.291 1.00 0.00 H new ATOM 1095 N PRO A 72 6.038 -8.149 5.559 1.00 0.00 N ATOM 1096 CA PRO A 72 4.727 -8.627 5.109 1.00 0.00 C ATOM 1097 C PRO A 72 3.671 -7.527 5.128 1.00 0.00 C ATOM 1098 O PRO A 72 3.856 -6.487 5.760 1.00 0.00 O ATOM 1099 CB PRO A 72 4.380 -9.718 6.125 1.00 0.00 C ATOM 1100 CG PRO A 72 5.144 -9.353 7.350 1.00 0.00 C ATOM 1101 CD PRO A 72 6.414 -8.707 6.869 1.00 0.00 C ATOM 0 HA PRO A 72 4.753 -8.978 4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.308 -9.749 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.666 -10.704 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.572 -8.670 7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.359 -10.235 7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.754 -7.930 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.224 -9.431 6.780 1.00 0.00 H new ATOM 1109 N ALA A 73 2.564 -7.764 4.433 1.00 0.00 N ATOM 1110 CA ALA A 73 1.477 -6.794 4.372 1.00 0.00 C ATOM 1111 C ALA A 73 0.518 -6.970 5.544 1.00 0.00 C ATOM 1112 O ALA A 73 -0.693 -6.809 5.397 1.00 0.00 O ATOM 1113 CB ALA A 73 0.731 -6.920 3.052 1.00 0.00 C ATOM 0 H ALA A 73 2.396 -8.620 3.904 1.00 0.00 H new ATOM 0 HA ALA A 73 1.909 -5.796 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.078 -6.190 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.419 -6.736 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.317 -7.924 2.962 1.00 0.00 H new ATOM 1119 N GLY A 74 1.068 -7.303 6.708 1.00 0.00 N ATOM 1120 CA GLY A 74 0.245 -7.497 7.888 1.00 0.00 C ATOM 1121 C GLY A 74 0.901 -6.963 9.146 1.00 0.00 C ATOM 1122 O GLY A 74 0.579 -5.868 9.607 1.00 0.00 O ATOM 0 H GLY A 74 2.068 -7.442 6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.715 -7.001 7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.039 -8.560 8.013 1.00 0.00 H new ATOM 1126 N LYS A 75 1.824 -7.739 9.705 1.00 0.00 N ATOM 1127 CA LYS A 75 2.528 -7.339 10.918 1.00 0.00 C ATOM 1128 C LYS A 75 2.811 -5.840 10.913 1.00 0.00 C ATOM 1129 O LYS A 75 2.654 -5.168 11.932 1.00 0.00 O ATOM 1130 CB LYS A 75 3.839 -8.117 11.051 1.00 0.00 C ATOM 1131 CG LYS A 75 3.696 -9.426 11.807 1.00 0.00 C ATOM 1132 CD LYS A 75 5.042 -9.944 12.286 1.00 0.00 C ATOM 1133 CE LYS A 75 5.007 -11.445 12.528 1.00 0.00 C ATOM 1134 NZ LYS A 75 5.052 -12.214 11.254 1.00 0.00 N ATOM 0 H LYS A 75 2.102 -8.649 9.337 1.00 0.00 H new ATOM 0 HA LYS A 75 1.890 -7.567 11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.232 -8.323 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.573 -7.492 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.035 -9.283 12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.227 -10.170 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.807 -9.711 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.323 -9.432 13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.851 -11.731 13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.101 -11.703 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.163 -13.227 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.168 -12.064 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.856 -11.889 10.681 1.00 0.00 H new ATOM 1148 N GLN A 76 3.229 -5.325 9.762 1.00 0.00 N ATOM 1149 CA GLN A 76 3.534 -3.906 9.626 1.00 0.00 C ATOM 1150 C GLN A 76 2.293 -3.056 9.882 1.00 0.00 C ATOM 1151 O GLN A 76 1.165 -3.544 9.799 1.00 0.00 O ATOM 1152 CB GLN A 76 4.089 -3.612 8.231 1.00 0.00 C ATOM 1153 CG GLN A 76 3.077 -3.824 7.117 1.00 0.00 C ATOM 1154 CD GLN A 76 3.513 -3.200 5.806 1.00 0.00 C ATOM 1155 OE1 GLN A 76 3.150 -2.066 5.494 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.297 -3.940 5.030 1.00 0.00 N ATOM 0 H GLN A 76 3.364 -5.869 8.910 1.00 0.00 H new ATOM 0 HA GLN A 76 4.288 -3.650 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.441 -2.581 8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.954 -4.250 8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.921 -4.893 6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.119 -3.399 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.574 -4.875 5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.623 -3.573 4.136 1.00 0.00 H new ATOM 1165 N LYS A 77 2.508 -1.783 10.194 1.00 0.00 N ATOM 1166 CA LYS A 77 1.408 -0.863 10.461 1.00 0.00 C ATOM 1167 C LYS A 77 1.636 0.474 9.764 1.00 0.00 C ATOM 1168 O LYS A 77 2.717 1.057 9.855 1.00 0.00 O ATOM 1169 CB LYS A 77 1.253 -0.646 11.968 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.104 -0.091 12.365 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.242 0.016 13.875 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.237 -1.355 14.533 1.00 0.00 C ATOM 1173 NZ LYS A 77 -0.882 -1.328 15.875 1.00 0.00 N ATOM 0 H LYS A 77 3.435 -1.364 10.268 1.00 0.00 H new ATOM 0 HA LYS A 77 0.493 -1.305 10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.413 -1.594 12.482 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.030 0.037 12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.242 0.892 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.891 -0.735 11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.576 0.616 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.168 0.536 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.759 -2.067 13.893 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.790 -1.707 14.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.725 -2.238 16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.468 -0.562 16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.903 -1.166 15.766 1.00 0.00 H new ATOM 1187 N LEU A 78 0.610 0.957 9.071 1.00 0.00 N ATOM 1188 CA LEU A 78 0.698 2.228 8.360 1.00 0.00 C ATOM 1189 C LEU A 78 -0.013 3.334 9.133 1.00 0.00 C ATOM 1190 O LEU A 78 -1.223 3.276 9.345 1.00 0.00 O ATOM 1191 CB LEU A 78 0.091 2.095 6.962 1.00 0.00 C ATOM 1192 CG LEU A 78 0.702 1.020 6.063 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.134 1.113 4.656 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.219 1.145 6.037 1.00 0.00 C ATOM 0 H LEU A 78 -0.292 0.488 8.986 1.00 0.00 H new ATOM 0 HA LEU A 78 1.751 2.494 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.974 1.888 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.180 3.056 6.456 1.00 0.00 H new ATOM 0 HG LEU A 78 0.444 0.043 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.581 0.340 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.946 0.973 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.359 2.094 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.637 0.372 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.497 2.127 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.611 1.026 7.047 1.00 0.00 H new ATOM 1206 N GLN A 79 0.748 4.341 9.548 1.00 0.00 N ATOM 1207 CA GLN A 79 0.191 5.462 10.296 1.00 0.00 C ATOM 1208 C GLN A 79 0.139 6.719 9.434 1.00 0.00 C ATOM 1209 O GLN A 79 1.106 7.055 8.750 1.00 0.00 O ATOM 1210 CB GLN A 79 1.019 5.725 11.555 1.00 0.00 C ATOM 1211 CG GLN A 79 0.216 6.328 12.696 1.00 0.00 C ATOM 1212 CD GLN A 79 1.081 6.707 13.882 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.946 7.578 13.781 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.853 6.054 15.015 1.00 0.00 N ATOM 0 H GLN A 79 1.752 4.404 9.379 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.826 5.202 10.588 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.463 4.788 11.890 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.841 6.396 11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.310 7.213 12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.543 5.615 13.018 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.126 5.340 15.054 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.405 6.267 15.846 1.00 0.00 H new ATOM 1223 N TYR A 80 -0.995 7.411 9.473 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.173 8.630 8.693 1.00 0.00 C ATOM 1225 C TYR A 80 -1.713 9.760 9.565 1.00 0.00 C ATOM 1226 O TYR A 80 -2.901 9.800 9.881 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.123 8.377 7.522 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.621 9.642 6.861 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.734 10.630 6.450 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.978 9.852 6.649 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.184 11.788 5.847 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.437 11.006 6.045 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.536 11.971 5.646 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.989 13.124 5.045 1.00 0.00 O ATOM 0 H TYR A 80 -1.804 7.148 10.036 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.199 8.928 8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.614 7.765 6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.978 7.802 7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.674 10.490 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.686 9.099 6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.481 12.546 5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.495 11.152 5.886 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.309 13.458 4.423 1.00 0.00 H new ATOM 1244 N GLU A 81 -0.829 10.675 9.950 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.216 11.806 10.785 1.00 0.00 C ATOM 1246 C GLU A 81 -1.784 11.328 12.119 1.00 0.00 C ATOM 1247 O GLU A 81 -2.692 11.943 12.675 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.247 12.674 10.061 1.00 0.00 C ATOM 1249 CG GLU A 81 -1.638 13.615 9.035 1.00 0.00 C ATOM 1250 CD GLU A 81 -0.992 14.831 9.669 1.00 0.00 C ATOM 1251 OE1 GLU A 81 0.206 14.754 10.012 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -1.684 15.859 9.823 1.00 0.00 O ATOM 0 H GLU A 81 0.159 10.655 9.697 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.324 12.402 10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.970 12.027 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.797 13.260 10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.893 13.076 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.413 13.940 8.341 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.241 10.225 12.625 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.706 9.682 13.888 1.00 0.00 C ATOM 1261 C GLY A 82 -2.685 8.539 13.703 1.00 0.00 C ATOM 1262 O GLY A 82 -2.788 7.657 14.556 1.00 0.00 O ATOM 0 H GLY A 82 -0.488 9.698 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.851 9.334 14.467 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.182 10.474 14.467 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.405 8.554 12.587 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.381 7.511 12.293 1.00 0.00 C ATOM 1268 C ILE A 83 -3.693 6.222 11.859 1.00 0.00 C ATOM 1269 O ILE A 83 -2.554 6.240 11.389 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.362 7.953 11.192 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.340 8.996 11.737 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.115 6.751 10.641 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -5.859 10.420 11.570 1.00 0.00 C ATOM 0 H ILE A 83 -3.331 9.277 11.871 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.938 7.331 13.213 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.793 8.406 10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.299 8.883 11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.514 8.801 12.795 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.805 7.079 9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.405 6.039 10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.675 6.273 11.445 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.602 11.105 11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.915 10.550 12.100 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.713 10.633 10.511 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.392 5.103 12.016 1.00 0.00 N ATOM 1286 CA PHE A 84 -3.849 3.803 11.639 1.00 0.00 C ATOM 1287 C PHE A 84 -4.573 3.244 10.418 1.00 0.00 C ATOM 1288 O PHE A 84 -5.311 2.264 10.515 1.00 0.00 O ATOM 1289 CB PHE A 84 -3.963 2.820 12.807 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.078 3.166 13.970 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -1.743 2.794 13.977 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -3.581 3.864 15.057 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -0.927 3.111 15.046 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -2.769 4.184 16.129 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.440 3.807 16.123 1.00 0.00 C ATOM 0 H PHE A 84 -5.336 5.070 12.402 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.797 3.937 11.387 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.999 2.789 13.145 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.712 1.819 12.455 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.336 2.250 13.137 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.619 4.161 15.066 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.112 2.815 15.039 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.173 4.728 16.970 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.803 4.056 16.959 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.357 3.876 9.269 1.00 0.00 N ATOM 1306 CA ILE A 85 -4.988 3.443 8.029 1.00 0.00 C ATOM 1307 C ILE A 85 -4.775 1.951 7.796 1.00 0.00 C ATOM 1308 O ILE A 85 -3.683 1.427 8.013 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.443 4.223 6.817 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.915 4.145 6.778 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.903 5.672 6.870 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.330 4.431 5.413 1.00 0.00 C ATOM 0 H ILE A 85 -3.750 4.690 9.172 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.054 3.644 8.131 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.835 3.770 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.505 4.855 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.602 3.151 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.510 6.210 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.992 5.709 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.537 6.137 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.243 4.358 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.712 3.706 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.613 5.436 5.099 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.827 1.272 7.351 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.757 -0.160 7.084 1.00 0.00 C ATOM 1326 C LYS A 86 -5.949 -0.447 5.599 1.00 0.00 C ATOM 1327 O LYS A 86 -6.549 0.348 4.876 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.817 -0.904 7.900 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.330 -1.351 9.267 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.489 -1.678 10.193 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.001 -2.223 11.526 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.034 -2.091 12.591 1.00 0.00 N ATOM 0 H LYS A 86 -6.739 1.691 7.168 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.768 -0.511 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.686 -0.258 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.149 -1.777 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.692 -2.228 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.719 -0.565 9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.085 -0.781 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.141 -2.410 9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.729 -3.272 11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.099 -1.691 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.663 -2.474 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.275 -1.087 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.886 -2.620 12.315 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.437 -1.588 5.151 1.00 0.00 N ATOM 1347 CA ASP A 87 -5.555 -1.981 3.751 1.00 0.00 C ATOM 1348 C ASP A 87 -7.017 -2.018 3.318 1.00 0.00 C ATOM 1349 O ASP A 87 -7.348 -1.677 2.183 1.00 0.00 O ATOM 1350 CB ASP A 87 -4.909 -3.349 3.528 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.052 -4.261 4.730 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.485 -3.933 5.794 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -5.731 -5.302 4.608 1.00 0.00 O ATOM 0 H ASP A 87 -4.937 -2.257 5.736 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.035 -1.239 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.364 -3.825 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.851 -3.215 3.301 1.00 0.00 H new ATOM 1358 N SER A 88 -7.888 -2.437 4.231 1.00 0.00 N ATOM 1359 CA SER A 88 -9.315 -2.524 3.942 1.00 0.00 C ATOM 1360 C SER A 88 -9.898 -1.142 3.661 1.00 0.00 C ATOM 1361 O SER A 88 -10.832 -0.999 2.874 1.00 0.00 O ATOM 1362 CB SER A 88 -10.055 -3.174 5.112 1.00 0.00 C ATOM 1363 OG SER A 88 -9.980 -2.367 6.275 1.00 0.00 O ATOM 0 H SER A 88 -7.631 -2.721 5.176 1.00 0.00 H new ATOM 0 HA SER A 88 -9.443 -3.141 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.099 -3.333 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.626 -4.155 5.318 1.00 0.00 H new ATOM 0 HG SER A 88 -10.462 -2.804 7.008 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.338 -0.128 4.311 1.00 0.00 N ATOM 1370 CA ASN A 89 -9.801 1.244 4.133 1.00 0.00 C ATOM 1371 C ASN A 89 -9.288 1.825 2.819 1.00 0.00 C ATOM 1372 O ASN A 89 -8.203 1.474 2.355 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.341 2.116 5.303 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.146 1.864 6.563 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -9.868 0.750 7.230 1.00 0.00 O flip ATOM 1376 ND2 ASN A 89 -11.008 2.662 6.933 1.00 0.00 N flip ATOM 0 H ASN A 89 -8.563 -0.230 4.966 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.891 1.232 4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.287 1.923 5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.426 3.167 5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.189 3.506 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.541 2.479 7.783 1.00 0.00 H new ATOM 1383 N SER A 90 -10.075 2.716 2.225 1.00 0.00 N ATOM 1384 CA SER A 90 -9.703 3.343 0.962 1.00 0.00 C ATOM 1385 C SER A 90 -9.015 4.684 1.204 1.00 0.00 C ATOM 1386 O SER A 90 -9.267 5.352 2.207 1.00 0.00 O ATOM 1387 CB SER A 90 -10.939 3.543 0.083 1.00 0.00 C ATOM 1388 OG SER A 90 -11.616 2.317 -0.131 1.00 0.00 O ATOM 0 H SER A 90 -10.974 3.020 2.598 1.00 0.00 H new ATOM 0 HA SER A 90 -9.004 2.682 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.614 4.257 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.643 3.970 -0.875 1.00 0.00 H new ATOM 0 HG SER A 90 -12.403 2.472 -0.694 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.144 5.070 0.278 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.418 6.330 0.389 1.00 0.00 C ATOM 1396 C LEU A 91 -8.372 7.518 0.302 1.00 0.00 C ATOM 1397 O LEU A 91 -8.305 8.442 1.112 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.360 6.430 -0.710 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.207 5.430 -0.625 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.548 4.156 -1.383 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.924 6.046 -1.164 1.00 0.00 C ATOM 0 H LEU A 91 -7.924 4.529 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.926 6.353 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.853 6.304 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.943 7.437 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.051 5.174 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.715 3.456 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.441 3.704 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.733 4.394 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.115 5.319 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.067 6.332 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.670 6.929 -0.577 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.262 7.484 -0.685 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.232 8.555 -0.875 1.00 0.00 C ATOM 1415 C ALA A 92 -10.989 8.846 0.416 1.00 0.00 C ATOM 1416 O ALA A 92 -10.950 9.963 0.932 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.204 8.195 -1.989 1.00 0.00 C ATOM 0 H ALA A 92 -9.331 6.727 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.689 9.457 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.923 9.004 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.654 8.045 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.733 7.278 -1.728 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.678 7.834 0.933 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.447 7.983 2.163 1.00 0.00 C ATOM 1425 C TYR A 93 -11.706 8.860 3.166 1.00 0.00 C ATOM 1426 O TYR A 93 -12.267 9.812 3.710 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.732 6.612 2.779 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.325 6.684 4.168 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.514 6.847 5.284 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.697 6.589 4.364 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.051 6.913 6.555 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.244 6.656 5.631 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.417 6.817 6.723 1.00 0.00 C ATOM 1434 OH TYR A 93 -14.957 6.883 7.987 1.00 0.00 O ATOM 0 H TYR A 93 -11.720 6.902 0.520 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.392 8.466 1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.416 6.066 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.805 6.041 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.444 6.924 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.347 6.461 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.406 7.039 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.313 6.583 5.766 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.932 6.800 7.931 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.441 8.534 3.406 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.621 9.291 4.345 1.00 0.00 C ATOM 1446 C TYR A 94 -9.471 10.740 3.893 1.00 0.00 C ATOM 1447 O TYR A 94 -9.418 11.655 4.713 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.242 8.644 4.487 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.247 7.386 5.327 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.583 7.429 6.675 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.916 6.156 4.773 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.587 6.282 7.446 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.920 5.004 5.536 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.256 5.073 6.872 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.260 3.929 7.637 1.00 0.00 O ATOM 0 H TYR A 94 -9.961 7.751 2.963 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.121 9.282 5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.857 8.407 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.556 9.365 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.845 8.374 7.127 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.651 6.099 3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.848 6.333 8.493 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.662 4.055 5.089 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.106 3.867 8.129 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.404 10.939 2.580 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.261 12.277 2.017 1.00 0.00 C ATOM 1467 C ASN A 95 -7.843 12.802 2.219 1.00 0.00 C ATOM 1468 O ASN A 95 -7.644 13.884 2.770 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.268 13.234 2.658 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.567 12.544 3.026 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.837 12.290 4.200 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.380 12.239 2.021 1.00 0.00 N ATOM 0 H ASN A 95 -9.446 10.192 1.887 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.459 12.217 0.947 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.828 13.675 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.477 14.052 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.269 11.775 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.115 12.469 1.063 1.00 0.00 H new ATOM 1479 N MET A 96 -6.861 12.029 1.767 1.00 0.00 N ATOM 1480 CA MET A 96 -5.461 12.418 1.896 1.00 0.00 C ATOM 1481 C MET A 96 -5.097 13.485 0.869 1.00 0.00 C ATOM 1482 O MET A 96 -5.933 13.898 0.066 1.00 0.00 O ATOM 1483 CB MET A 96 -4.553 11.198 1.725 1.00 0.00 C ATOM 1484 CG MET A 96 -4.849 10.078 2.710 1.00 0.00 C ATOM 1485 SD MET A 96 -3.571 8.807 2.720 1.00 0.00 S ATOM 1486 CE MET A 96 -4.505 7.392 3.298 1.00 0.00 C ATOM 0 H MET A 96 -7.008 11.130 1.308 1.00 0.00 H new ATOM 0 HA MET A 96 -5.315 12.834 2.893 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.659 10.816 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.515 11.509 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.947 10.497 3.712 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.807 9.623 2.459 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.830 6.552 3.459 1.00 0.00 H new ATOM 0 HE2 MET A 96 -5.003 7.643 4.235 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.252 7.120 2.552 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.844 13.928 0.901 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.369 14.946 -0.028 1.00 0.00 C ATOM 1498 C ALA A 97 -1.982 14.600 -0.559 1.00 0.00 C ATOM 1499 O ALA A 97 -1.181 13.972 0.133 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.353 16.309 0.647 1.00 0.00 C ATOM 0 H ALA A 97 -3.140 13.598 1.561 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.055 14.980 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.996 17.060 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.361 16.566 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.690 16.279 1.512 1.00 0.00 H new ATOM 1506 N SER A 98 -1.706 15.013 -1.792 1.00 0.00 N ATOM 1507 CA SER A 98 -0.417 14.742 -2.418 1.00 0.00 C ATOM 1508 C SER A 98 0.727 15.032 -1.452 1.00 0.00 C ATOM 1509 O SER A 98 0.556 15.746 -0.465 1.00 0.00 O ATOM 1510 CB SER A 98 -0.255 15.584 -3.685 1.00 0.00 C ATOM 1511 OG SER A 98 -0.439 16.962 -3.410 1.00 0.00 O ATOM 0 H SER A 98 -2.357 15.536 -2.377 1.00 0.00 H new ATOM 0 HA SER A 98 -0.385 13.686 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.737 15.424 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.977 15.260 -4.435 1.00 0.00 H new ATOM 0 HG SER A 98 -0.328 17.478 -4.236 1.00 0.00 H new ATOM 1517 N GLY A 99 1.897 14.471 -1.744 1.00 0.00 N ATOM 1518 CA GLY A 99 3.053 14.680 -0.893 1.00 0.00 C ATOM 1519 C GLY A 99 2.810 14.233 0.535 1.00 0.00 C ATOM 1520 O GLY A 99 3.295 14.857 1.479 1.00 0.00 O ATOM 0 H GLY A 99 2.064 13.875 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.904 14.135 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.319 15.737 -0.899 1.00 0.00 H new ATOM 1524 N ALA A 100 2.056 13.150 0.695 1.00 0.00 N ATOM 1525 CA ALA A 100 1.750 12.620 2.017 1.00 0.00 C ATOM 1526 C ALA A 100 2.908 11.787 2.557 1.00 0.00 C ATOM 1527 O ALA A 100 3.843 11.458 1.826 1.00 0.00 O ATOM 1528 CB ALA A 100 0.476 11.789 1.971 1.00 0.00 C ATOM 0 H ALA A 100 1.646 12.623 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 100 1.597 13.462 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.260 11.399 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.353 12.413 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.608 10.959 1.277 1.00 0.00 H new ATOM 1534 N VAL A 101 2.841 11.450 3.841 1.00 0.00 N ATOM 1535 CA VAL A 101 3.883 10.654 4.478 1.00 0.00 C ATOM 1536 C VAL A 101 3.284 9.614 5.417 1.00 0.00 C ATOM 1537 O VAL A 101 2.706 9.955 6.449 1.00 0.00 O ATOM 1538 CB VAL A 101 4.862 11.543 5.270 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.103 12.452 6.224 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.868 10.686 6.023 1.00 0.00 C ATOM 0 H VAL A 101 2.076 11.716 4.461 1.00 0.00 H new ATOM 0 HA VAL A 101 4.427 10.147 3.681 1.00 0.00 H new ATOM 0 HB VAL A 101 5.409 12.170 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.810 13.073 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.425 13.090 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.529 11.846 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.552 11.329 6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.341 10.033 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.433 10.081 5.314 1.00 0.00 H new ATOM 1550 N ILE A 102 3.428 8.344 5.053 1.00 0.00 N ATOM 1551 CA ILE A 102 2.902 7.253 5.865 1.00 0.00 C ATOM 1552 C ILE A 102 4.001 6.616 6.708 1.00 0.00 C ATOM 1553 O ILE A 102 4.934 6.011 6.177 1.00 0.00 O ATOM 1554 CB ILE A 102 2.245 6.168 4.992 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.107 6.768 4.164 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.733 5.028 5.860 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.090 7.522 4.992 1.00 0.00 C ATOM 0 H ILE A 102 3.904 8.045 4.202 1.00 0.00 H new ATOM 0 HA ILE A 102 2.147 7.684 6.523 1.00 0.00 H new ATOM 0 HB ILE A 102 2.995 5.769 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.528 7.442 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.602 5.968 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.271 4.269 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.565 4.587 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.995 5.411 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.687 7.920 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.358 6.847 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.582 8.343 5.513 1.00 0.00 H new ATOM 1569 N HIS A 103 3.885 6.754 8.025 1.00 0.00 N ATOM 1570 CA HIS A 103 4.868 6.189 8.942 1.00 0.00 C ATOM 1571 C HIS A 103 4.642 4.691 9.127 1.00 0.00 C ATOM 1572 O HIS A 103 3.515 4.246 9.350 1.00 0.00 O ATOM 1573 CB HIS A 103 4.800 6.897 10.295 1.00 0.00 C ATOM 1574 CG HIS A 103 5.308 8.306 10.261 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.629 8.624 10.024 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.664 9.484 10.433 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.776 9.936 10.053 1.00 0.00 C ATOM 1578 NE2 HIS A 103 5.598 10.482 10.299 1.00 0.00 N ATOM 0 H HIS A 103 3.120 7.252 8.481 1.00 0.00 H new ATOM 0 HA HIS A 103 5.858 6.338 8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.767 6.900 10.642 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.379 6.328 11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.612 9.615 10.638 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.701 10.472 9.901 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.413 11.482 10.377 1.00 0.00 H new ATOM 1587 N LEU A 104 5.718 3.919 9.031 1.00 0.00 N ATOM 1588 CA LEU A 104 5.637 2.471 9.187 1.00 0.00 C ATOM 1589 C LEU A 104 5.942 2.060 10.624 1.00 0.00 C ATOM 1590 O LEU A 104 6.839 2.611 11.260 1.00 0.00 O ATOM 1591 CB LEU A 104 6.610 1.780 8.229 1.00 0.00 C ATOM 1592 CG LEU A 104 6.607 0.251 8.257 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.274 -0.289 7.762 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.752 -0.299 7.419 1.00 0.00 C ATOM 0 H LEU A 104 6.657 4.271 8.846 1.00 0.00 H new ATOM 0 HA LEU A 104 4.620 2.161 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.382 2.105 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.619 2.126 8.455 1.00 0.00 H new ATOM 0 HG LEU A 104 6.748 -0.075 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.290 -1.379 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.472 0.078 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.103 0.046 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.735 -1.388 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.642 0.036 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.700 0.061 7.818 1.00 0.00 H new ATOM 1606 N ALA A 105 5.190 1.086 11.127 1.00 0.00 N ATOM 1607 CA ALA A 105 5.383 0.598 12.487 1.00 0.00 C ATOM 1608 C ALA A 105 5.167 -0.910 12.565 1.00 0.00 C ATOM 1609 O ALA A 105 4.650 -1.522 11.630 1.00 0.00 O ATOM 1610 CB ALA A 105 4.444 1.317 13.444 1.00 0.00 C ATOM 0 H ALA A 105 4.442 0.620 10.613 1.00 0.00 H new ATOM 0 HA ALA A 105 6.412 0.807 12.779 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.599 0.943 14.456 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.648 2.387 13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.412 1.137 13.145 1.00 0.00 H new ATOM 1616 N LEU A 106 5.568 -1.503 13.684 1.00 0.00 N ATOM 1617 CA LEU A 106 5.419 -2.940 13.883 1.00 0.00 C ATOM 1618 C LEU A 106 4.281 -3.240 14.854 1.00 0.00 C ATOM 1619 O LEU A 106 4.392 -2.989 16.055 1.00 0.00 O ATOM 1620 CB LEU A 106 6.724 -3.540 14.409 1.00 0.00 C ATOM 1621 CG LEU A 106 6.606 -4.890 15.115 1.00 0.00 C ATOM 1622 CD1 LEU A 106 6.104 -5.955 14.152 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.944 -5.299 15.714 1.00 0.00 C ATOM 0 H LEU A 106 5.999 -1.011 14.467 1.00 0.00 H new ATOM 0 HA LEU A 106 5.180 -3.392 12.920 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.413 -3.650 13.572 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.174 -2.829 15.101 1.00 0.00 H new ATOM 0 HG LEU A 106 5.883 -4.791 15.925 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.027 -6.909 14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.123 -5.669 13.772 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.802 -6.051 13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.840 -6.263 16.213 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.688 -5.379 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.263 -4.549 16.437 1.00 0.00 H new ATOM 1635 N LYS A 107 3.188 -3.781 14.328 1.00 0.00 N ATOM 1636 CA LYS A 107 2.030 -4.119 15.147 1.00 0.00 C ATOM 1637 C LYS A 107 2.384 -5.192 16.172 1.00 0.00 C ATOM 1638 O LYS A 107 3.158 -6.105 15.886 1.00 0.00 O ATOM 1639 CB LYS A 107 0.878 -4.604 14.264 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.378 -4.957 15.041 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.383 -6.418 15.458 1.00 0.00 C ATOM 1642 CE LYS A 107 -0.917 -7.312 14.350 1.00 0.00 C ATOM 1643 NZ LYS A 107 -0.318 -8.675 14.399 1.00 0.00 N ATOM 0 H LYS A 107 3.080 -3.995 13.337 1.00 0.00 H new ATOM 0 HA LYS A 107 1.718 -3.220 15.679 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.639 -3.829 13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.205 -5.479 13.702 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.449 -4.325 15.926 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.256 -4.749 14.429 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.629 -6.726 15.720 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.994 -6.540 16.352 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.001 -7.388 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.705 -6.857 13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.792 -9.288 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.696 -8.617 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.439 -9.073 15.352 1.00 0.00 H new ATOM 1657 N GLU A 108 1.811 -5.075 17.366 1.00 0.00 N ATOM 1658 CA GLU A 108 2.067 -6.036 18.433 1.00 0.00 C ATOM 1659 C GLU A 108 1.608 -7.434 18.027 1.00 0.00 C ATOM 1660 O GLU A 108 0.414 -7.683 17.859 1.00 0.00 O ATOM 1661 CB GLU A 108 1.355 -5.607 19.717 1.00 0.00 C ATOM 1662 CG GLU A 108 1.785 -4.240 20.224 1.00 0.00 C ATOM 1663 CD GLU A 108 3.019 -4.306 21.103 1.00 0.00 C ATOM 1664 OE1 GLU A 108 2.871 -4.580 22.313 1.00 0.00 O ATOM 1665 OE2 GLU A 108 4.132 -4.083 20.582 1.00 0.00 O ATOM 0 H GLU A 108 1.167 -4.325 17.619 1.00 0.00 H new ATOM 0 HA GLU A 108 3.142 -6.063 18.613 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.279 -5.598 19.540 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.544 -6.349 20.493 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.983 -3.587 19.374 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.966 -3.791 20.786 1.00 0.00 H new ATOM 1672 N ARG A 109 2.565 -8.342 17.871 1.00 0.00 N ATOM 1673 CA ARG A 109 2.261 -9.714 17.483 1.00 0.00 C ATOM 1674 C ARG A 109 3.001 -10.708 18.374 1.00 0.00 C ATOM 1675 O ARG A 109 4.228 -10.798 18.333 1.00 0.00 O ATOM 1676 CB ARG A 109 2.636 -9.948 16.019 1.00 0.00 C ATOM 1677 CG ARG A 109 1.937 -11.146 15.395 1.00 0.00 C ATOM 1678 CD ARG A 109 2.744 -12.421 15.583 1.00 0.00 C ATOM 1679 NE ARG A 109 1.952 -13.616 15.302 1.00 0.00 N ATOM 1680 CZ ARG A 109 2.483 -14.801 15.026 1.00 0.00 C ATOM 1681 NH1 ARG A 109 3.801 -14.950 14.995 1.00 0.00 N ATOM 1682 NH2 ARG A 109 1.697 -15.842 14.780 1.00 0.00 N ATOM 0 H ARG A 109 3.558 -8.152 18.007 1.00 0.00 H new ATOM 0 HA ARG A 109 1.189 -9.870 17.606 1.00 0.00 H new ATOM 0 HB2 ARG A 109 2.392 -9.055 15.443 1.00 0.00 H new ATOM 0 HB3 ARG A 109 3.714 -10.089 15.947 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.951 -11.268 15.844 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.782 -10.965 14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 109 3.614 -12.400 14.926 1.00 0.00 H new ATOM 0 HD3 ARG A 109 3.118 -12.466 16.606 1.00 0.00 H new ATOM 0 HE ARG A 109 0.935 -13.535 15.319 1.00 0.00 H new ATOM 0 HH11 ARG A 109 4.409 -14.153 15.184 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.206 -15.862 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.683 -15.732 14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.107 -16.752 14.568 1.00 0.00 H new ATOM 1696 N SER A 110 2.247 -11.451 19.177 1.00 0.00 N ATOM 1697 CA SER A 110 2.831 -12.435 20.081 1.00 0.00 C ATOM 1698 C SER A 110 3.916 -13.243 19.375 1.00 0.00 C ATOM 1699 O SER A 110 3.675 -13.849 18.332 1.00 0.00 O ATOM 1700 CB SER A 110 1.748 -13.373 20.618 1.00 0.00 C ATOM 1701 OG SER A 110 2.320 -14.468 21.311 1.00 0.00 O ATOM 0 H SER A 110 1.230 -11.390 19.220 1.00 0.00 H new ATOM 0 HA SER A 110 3.284 -11.901 20.916 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.084 -12.823 21.285 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.138 -13.740 19.792 1.00 0.00 H new ATOM 0 HG SER A 110 1.607 -15.052 21.646 1.00 0.00 H new ATOM 1707 N GLY A 111 5.113 -13.248 19.954 1.00 0.00 N ATOM 1708 CA GLY A 111 6.218 -13.985 19.369 1.00 0.00 C ATOM 1709 C GLY A 111 7.265 -13.073 18.760 1.00 0.00 C ATOM 1710 O GLY A 111 7.486 -13.068 17.549 1.00 0.00 O ATOM 0 H GLY A 111 5.337 -12.755 20.818 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.683 -14.606 20.135 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.836 -14.658 18.601 1.00 0.00 H new ATOM 1714 N PRO A 112 7.929 -12.277 19.612 1.00 0.00 N ATOM 1715 CA PRO A 112 8.968 -11.341 19.174 1.00 0.00 C ATOM 1716 C PRO A 112 10.231 -12.056 18.703 1.00 0.00 C ATOM 1717 O PRO A 112 10.778 -11.738 17.648 1.00 0.00 O ATOM 1718 CB PRO A 112 9.257 -10.518 20.431 1.00 0.00 C ATOM 1719 CG PRO A 112 8.873 -11.408 21.563 1.00 0.00 C ATOM 1720 CD PRO A 112 7.716 -12.231 21.068 1.00 0.00 C ATOM 0 HA PRO A 112 8.645 -10.743 18.322 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.309 -10.237 20.487 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.679 -9.594 20.441 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.707 -12.045 21.859 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.591 -10.825 22.440 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.716 -13.229 21.506 1.00 0.00 H new ATOM 0 HD3 PRO A 112 6.760 -11.773 21.320 1.00 0.00 H new ATOM 1728 N SER A 113 10.687 -13.023 19.492 1.00 0.00 N ATOM 1729 CA SER A 113 11.887 -13.781 19.157 1.00 0.00 C ATOM 1730 C SER A 113 11.747 -15.238 19.587 1.00 0.00 C ATOM 1731 O SER A 113 10.917 -15.570 20.432 1.00 0.00 O ATOM 1732 CB SER A 113 13.113 -13.156 19.825 1.00 0.00 C ATOM 1733 OG SER A 113 13.133 -13.432 21.215 1.00 0.00 O ATOM 0 H SER A 113 10.244 -13.300 20.368 1.00 0.00 H new ATOM 0 HA SER A 113 12.016 -13.751 18.075 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.020 -13.543 19.361 1.00 0.00 H new ATOM 0 HB3 SER A 113 13.108 -12.078 19.665 1.00 0.00 H new ATOM 0 HG SER A 113 13.927 -13.023 21.618 1.00 0.00 H new ATOM 1739 N SER A 114 12.566 -16.103 18.997 1.00 0.00 N ATOM 1740 CA SER A 114 12.532 -17.526 19.315 1.00 0.00 C ATOM 1741 C SER A 114 13.893 -18.170 19.071 1.00 0.00 C ATOM 1742 O SER A 114 14.512 -17.965 18.027 1.00 0.00 O ATOM 1743 CB SER A 114 11.464 -18.232 18.478 1.00 0.00 C ATOM 1744 OG SER A 114 10.161 -17.854 18.889 1.00 0.00 O ATOM 0 H SER A 114 13.261 -15.844 18.297 1.00 0.00 H new ATOM 0 HA SER A 114 12.284 -17.631 20.371 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.602 -17.987 17.425 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.579 -19.312 18.572 1.00 0.00 H new ATOM 0 HG SER A 114 10.223 -17.147 19.565 1.00 0.00 H new ATOM 1750 N GLY A 115 14.355 -18.951 20.043 1.00 0.00 N ATOM 1751 CA GLY A 115 15.640 -19.613 19.916 1.00 0.00 C ATOM 1752 C GLY A 115 16.279 -19.902 21.260 1.00 0.00 C ATOM 1753 O GLY A 115 15.737 -20.661 22.062 1.00 0.00 O ATOM 0 H GLY A 115 13.862 -19.137 20.916 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.511 -20.548 19.370 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.310 -18.988 19.325 1.00 0.00 H new TER 1757 GLY A 115