USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 881 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 52 SER OG : rot 3:sc= -1.76 USER MOD Set 1.2: A 64 MET CE :methyl -124:sc= -2.22! (180deg=-7.43!) USER MOD Set 2.1: A 14 MET CE :methyl 135:sc= -1.63! (180deg=-2.51!) USER MOD Set 2.2: A 48 SER OG : rot 140:sc= -0.359 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.078 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 0.828 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00551 X(o=-0.0055,f=-0.075) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 171:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.0216 (180deg=-0.22) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -148:sc= -1.58 (180deg=-3.06!) USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= -0.177 (180deg=-0.751) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.242 K(o=-0.24,f=-4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot -40:sc= -1.05 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 151:sc= -4.66! (180deg=-6.44!) USER MOD Single : A 61 ASN : amide:sc= -2.79 K(o=-2.8,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -0.0333 (180deg=-0.252) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0632) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.666 F(o=-2.5,f=-0.67) USER MOD Single : A 76 SER OG : rot 148:sc= 0.437 USER MOD Single : A 81 GLN : amide:sc= 0.836 K(o=0.84,f=-0.92) USER MOD Single : A 84 SER OG : rot 180:sc= -0.289 USER MOD Single : A 86 SER OG : rot 148:sc= 0.171 USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.449 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.00898 X(o=-0.009,f=-0.14) USER MOD Single : A 97 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.4) USER MOD Single : A 100 SER OG : rot 82:sc= 1 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.784 23.766 -11.926 1.00 0.00 N ATOM 2 CA GLY A 1 -16.565 24.479 -12.267 1.00 0.00 C ATOM 3 C GLY A 1 -15.586 23.567 -13.010 1.00 0.00 C ATOM 4 O GLY A 1 -15.984 22.544 -13.565 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.602 24.395 -12.055 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.885 22.936 -12.544 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.739 23.456 -10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.806 25.342 -12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.096 24.859 -11.360 1.00 0.00 H new ATOM 8 N SER A 2 -14.324 23.971 -12.998 1.00 0.00 N ATOM 9 CA SER A 2 -13.286 23.203 -13.664 1.00 0.00 C ATOM 10 C SER A 2 -11.923 23.860 -13.438 1.00 0.00 C ATOM 11 O SER A 2 -11.509 24.722 -14.212 1.00 0.00 O ATOM 12 CB SER A 2 -13.571 23.074 -15.161 1.00 0.00 C ATOM 13 OG SER A 2 -12.527 22.387 -15.846 1.00 0.00 O ATOM 0 H SER A 2 -13.997 24.820 -12.537 1.00 0.00 H new ATOM 0 HA SER A 2 -13.275 22.200 -13.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.511 22.542 -15.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.696 24.067 -15.593 1.00 0.00 H new ATOM 0 HG SER A 2 -12.747 22.324 -16.799 1.00 0.00 H new ATOM 19 N SER A 3 -11.263 23.429 -12.373 1.00 0.00 N ATOM 20 CA SER A 3 -9.955 23.964 -12.035 1.00 0.00 C ATOM 21 C SER A 3 -9.346 23.169 -10.879 1.00 0.00 C ATOM 22 O SER A 3 -10.066 22.682 -10.009 1.00 0.00 O ATOM 23 CB SER A 3 -10.045 25.447 -11.670 1.00 0.00 C ATOM 24 OG SER A 3 -8.761 26.017 -11.430 1.00 0.00 O ATOM 0 H SER A 3 -11.610 22.715 -11.733 1.00 0.00 H new ATOM 0 HA SER A 3 -9.311 23.871 -12.910 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.537 25.990 -12.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.666 25.565 -10.782 1.00 0.00 H new ATOM 0 HG SER A 3 -8.861 26.965 -11.202 1.00 0.00 H new ATOM 30 N GLY A 4 -8.026 23.061 -10.908 1.00 0.00 N ATOM 31 CA GLY A 4 -7.312 22.333 -9.873 1.00 0.00 C ATOM 32 C GLY A 4 -6.899 20.944 -10.365 1.00 0.00 C ATOM 33 O GLY A 4 -7.633 19.974 -10.182 1.00 0.00 O ATOM 0 H GLY A 4 -7.432 23.465 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.427 22.894 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.943 22.237 -8.990 1.00 0.00 H new ATOM 37 N SER A 5 -5.727 20.893 -10.980 1.00 0.00 N ATOM 38 CA SER A 5 -5.208 19.640 -11.500 1.00 0.00 C ATOM 39 C SER A 5 -3.698 19.750 -11.721 1.00 0.00 C ATOM 40 O SER A 5 -3.140 20.845 -11.684 1.00 0.00 O ATOM 41 CB SER A 5 -5.909 19.252 -12.804 1.00 0.00 C ATOM 42 OG SER A 5 -7.141 18.576 -12.567 1.00 0.00 O ATOM 0 H SER A 5 -5.122 21.700 -11.130 1.00 0.00 H new ATOM 0 HA SER A 5 -5.405 18.858 -10.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.095 20.148 -13.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.252 18.612 -13.393 1.00 0.00 H new ATOM 0 HG SER A 5 -7.516 18.870 -11.711 1.00 0.00 H new ATOM 48 N SER A 6 -3.080 18.600 -11.946 1.00 0.00 N ATOM 49 CA SER A 6 -1.646 18.553 -12.173 1.00 0.00 C ATOM 50 C SER A 6 -0.903 19.041 -10.928 1.00 0.00 C ATOM 51 O SER A 6 -0.880 20.238 -10.643 1.00 0.00 O ATOM 52 CB SER A 6 -1.253 19.394 -13.389 1.00 0.00 C ATOM 53 OG SER A 6 -1.470 18.697 -14.613 1.00 0.00 O ATOM 0 H SER A 6 -3.546 17.693 -11.976 1.00 0.00 H new ATOM 0 HA SER A 6 -1.365 17.519 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.829 20.319 -13.392 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.202 19.673 -13.312 1.00 0.00 H new ATOM 0 HG SER A 6 -1.209 19.268 -15.365 1.00 0.00 H new ATOM 59 N GLY A 7 -0.313 18.090 -10.219 1.00 0.00 N ATOM 60 CA GLY A 7 0.429 18.408 -9.011 1.00 0.00 C ATOM 61 C GLY A 7 1.242 17.203 -8.534 1.00 0.00 C ATOM 62 O GLY A 7 1.444 16.249 -9.284 1.00 0.00 O ATOM 0 H GLY A 7 -0.334 17.099 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.096 19.249 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.261 18.719 -8.227 1.00 0.00 H new ATOM 66 N ASP A 8 1.688 17.286 -7.288 1.00 0.00 N ATOM 67 CA ASP A 8 2.475 16.214 -6.702 1.00 0.00 C ATOM 68 C ASP A 8 1.566 15.015 -6.423 1.00 0.00 C ATOM 69 O ASP A 8 0.940 14.939 -5.367 1.00 0.00 O ATOM 70 CB ASP A 8 3.101 16.652 -5.377 1.00 0.00 C ATOM 71 CG ASP A 8 4.516 16.126 -5.125 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.349 16.278 -6.044 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.731 15.584 -4.020 1.00 0.00 O ATOM 0 H ASP A 8 1.519 18.079 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 8 3.266 15.952 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.124 17.741 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.457 16.323 -4.562 1.00 0.00 H new ATOM 78 N LYS A 9 1.525 14.107 -7.387 1.00 0.00 N ATOM 79 CA LYS A 9 0.704 12.915 -7.258 1.00 0.00 C ATOM 80 C LYS A 9 1.535 11.686 -7.629 1.00 0.00 C ATOM 81 O LYS A 9 1.613 11.315 -8.799 1.00 0.00 O ATOM 82 CB LYS A 9 -0.581 13.058 -8.076 1.00 0.00 C ATOM 83 CG LYS A 9 -1.223 14.429 -7.853 1.00 0.00 C ATOM 84 CD LYS A 9 -2.749 14.338 -7.919 1.00 0.00 C ATOM 85 CE LYS A 9 -3.283 14.995 -9.193 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.731 15.274 -9.064 1.00 0.00 N ATOM 0 H LYS A 9 2.047 14.173 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 9 0.384 12.784 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.359 12.924 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.284 12.273 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.920 14.823 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.864 15.129 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.056 13.293 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.184 14.824 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.743 15.923 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.107 14.342 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.078 15.720 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.243 14.383 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.891 15.915 -8.261 1.00 0.00 H new ATOM 100 N PRO A 10 2.152 11.072 -6.584 1.00 0.00 N ATOM 101 CA PRO A 10 2.975 9.892 -6.788 1.00 0.00 C ATOM 102 C PRO A 10 2.109 8.658 -7.047 1.00 0.00 C ATOM 103 O PRO A 10 2.264 7.988 -8.067 1.00 0.00 O ATOM 104 CB PRO A 10 3.815 9.774 -5.527 1.00 0.00 C ATOM 105 CG PRO A 10 3.106 10.613 -4.475 1.00 0.00 C ATOM 106 CD PRO A 10 2.083 11.483 -5.185 1.00 0.00 C ATOM 0 HA PRO A 10 3.613 9.971 -7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.897 8.735 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.829 10.136 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.618 9.972 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.822 11.231 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.084 11.332 -4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.317 12.542 -5.072 1.00 0.00 H new ATOM 114 N LEU A 11 1.215 8.393 -6.105 1.00 0.00 N ATOM 115 CA LEU A 11 0.324 7.251 -6.218 1.00 0.00 C ATOM 116 C LEU A 11 -0.652 7.484 -7.373 1.00 0.00 C ATOM 117 O LEU A 11 -1.380 6.574 -7.769 1.00 0.00 O ATOM 118 CB LEU A 11 -0.362 6.972 -4.879 1.00 0.00 C ATOM 119 CG LEU A 11 0.535 6.426 -3.767 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.571 5.449 -4.328 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.188 7.565 -2.980 1.00 0.00 C ATOM 0 H LEU A 11 1.089 8.950 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 11 0.888 6.349 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.820 7.897 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.170 6.261 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.088 5.868 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.196 5.076 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.061 4.613 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.195 5.961 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.820 7.149 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.795 8.171 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.414 8.187 -2.531 1.00 0.00 H new ATOM 133 N SER A 12 -0.637 8.708 -7.881 1.00 0.00 N ATOM 134 CA SER A 12 -1.513 9.071 -8.982 1.00 0.00 C ATOM 135 C SER A 12 -1.629 7.905 -9.965 1.00 0.00 C ATOM 136 O SER A 12 -0.694 7.622 -10.712 1.00 0.00 O ATOM 137 CB SER A 12 -1.003 10.322 -9.701 1.00 0.00 C ATOM 138 OG SER A 12 -2.067 11.088 -10.260 1.00 0.00 O ATOM 0 H SER A 12 -0.032 9.460 -7.551 1.00 0.00 H new ATOM 0 HA SER A 12 -2.499 9.294 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.441 10.939 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.313 10.029 -10.492 1.00 0.00 H new ATOM 0 HG SER A 12 -1.700 11.879 -10.708 1.00 0.00 H new ATOM 144 N ASN A 13 -2.786 7.259 -9.933 1.00 0.00 N ATOM 145 CA ASN A 13 -3.037 6.130 -10.813 1.00 0.00 C ATOM 146 C ASN A 13 -2.416 4.870 -10.206 1.00 0.00 C ATOM 147 O ASN A 13 -1.622 4.190 -10.856 1.00 0.00 O ATOM 148 CB ASN A 13 -2.406 6.352 -12.189 1.00 0.00 C ATOM 149 CG ASN A 13 -3.295 5.784 -13.297 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.807 4.680 -13.213 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.448 6.597 -14.338 1.00 0.00 N ATOM 0 H ASN A 13 -3.559 7.496 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.116 6.023 -10.925 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.250 7.418 -12.354 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.426 5.877 -12.225 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.022 6.309 -15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.991 7.509 -14.344 1.00 0.00 H new ATOM 158 N MET A 14 -2.801 4.595 -8.969 1.00 0.00 N ATOM 159 CA MET A 14 -2.292 3.429 -8.268 1.00 0.00 C ATOM 160 C MET A 14 -3.261 2.982 -7.171 1.00 0.00 C ATOM 161 O MET A 14 -3.673 3.787 -6.337 1.00 0.00 O ATOM 162 CB MET A 14 -0.934 3.759 -7.646 1.00 0.00 C ATOM 163 CG MET A 14 0.086 4.132 -8.723 1.00 0.00 C ATOM 164 SD MET A 14 1.721 4.220 -8.012 1.00 0.00 S ATOM 165 CE MET A 14 1.798 2.625 -7.214 1.00 0.00 C ATOM 0 H MET A 14 -3.460 5.160 -8.434 1.00 0.00 H new ATOM 0 HA MET A 14 -2.185 2.616 -8.986 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.043 4.584 -6.942 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.572 2.902 -7.078 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.068 3.393 -9.524 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.178 5.091 -9.169 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.763 2.161 -7.420 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.678 2.750 -6.138 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.000 1.988 -7.596 1.00 0.00 H new ATOM 175 N LYS A 15 -3.597 1.701 -7.208 1.00 0.00 N ATOM 176 CA LYS A 15 -4.509 1.138 -6.228 1.00 0.00 C ATOM 177 C LYS A 15 -3.707 0.596 -5.043 1.00 0.00 C ATOM 178 O LYS A 15 -3.030 -0.424 -5.162 1.00 0.00 O ATOM 179 CB LYS A 15 -5.422 0.097 -6.881 1.00 0.00 C ATOM 180 CG LYS A 15 -6.690 0.750 -7.434 1.00 0.00 C ATOM 181 CD LYS A 15 -7.107 0.103 -8.756 1.00 0.00 C ATOM 182 CE LYS A 15 -8.517 0.538 -9.159 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.853 0.028 -10.507 1.00 0.00 N ATOM 0 H LYS A 15 -3.254 1.037 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.172 1.910 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.887 -0.407 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.691 -0.666 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.498 0.656 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.519 1.816 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.400 0.378 -9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.071 -0.982 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.240 0.166 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.585 1.626 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.814 0.333 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.174 0.403 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.808 -1.011 -10.506 1.00 0.00 H new ATOM 197 N ILE A 16 -3.811 1.302 -3.927 1.00 0.00 N ATOM 198 CA ILE A 16 -3.104 0.904 -2.721 1.00 0.00 C ATOM 199 C ILE A 16 -4.044 0.093 -1.827 1.00 0.00 C ATOM 200 O ILE A 16 -5.221 0.427 -1.694 1.00 0.00 O ATOM 201 CB ILE A 16 -2.497 2.126 -2.028 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.481 2.822 -2.935 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.892 1.745 -0.675 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.164 3.425 -4.164 1.00 0.00 C ATOM 0 H ILE A 16 -4.374 2.147 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.263 0.256 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.297 2.841 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.969 3.606 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.721 2.107 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.468 2.631 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.669 1.329 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.108 1.002 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.419 3.914 -4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.655 2.635 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.906 4.157 -3.845 1.00 0.00 H new ATOM 216 N LEU A 17 -3.490 -0.956 -1.238 1.00 0.00 N ATOM 217 CA LEU A 17 -4.265 -1.817 -0.360 1.00 0.00 C ATOM 218 C LEU A 17 -3.735 -1.690 1.070 1.00 0.00 C ATOM 219 O LEU A 17 -2.555 -1.411 1.275 1.00 0.00 O ATOM 220 CB LEU A 17 -4.273 -3.253 -0.888 1.00 0.00 C ATOM 221 CG LEU A 17 -5.153 -4.243 -0.124 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.439 -4.543 -0.897 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.378 -5.518 0.215 1.00 0.00 C ATOM 0 H LEU A 17 -2.514 -1.230 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.309 -1.503 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.599 -3.235 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.249 -3.627 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.444 -3.783 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.047 -5.250 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.999 -3.619 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.189 -4.974 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.027 -6.205 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.037 -5.992 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.517 -5.267 0.834 1.00 0.00 H new ATOM 235 N THR A 18 -4.633 -1.901 2.021 1.00 0.00 N ATOM 236 CA THR A 18 -4.270 -1.814 3.425 1.00 0.00 C ATOM 237 C THR A 18 -4.750 -3.056 4.178 1.00 0.00 C ATOM 238 O THR A 18 -5.781 -3.633 3.837 1.00 0.00 O ATOM 239 CB THR A 18 -4.842 -0.508 3.981 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.242 -0.609 3.734 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.408 0.714 3.169 1.00 0.00 C ATOM 0 H THR A 18 -5.611 -2.132 1.847 1.00 0.00 H new ATOM 0 HA THR A 18 -3.188 -1.793 3.553 1.00 0.00 H new ATOM 0 HB THR A 18 -4.527 -0.386 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.708 0.123 4.189 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.841 1.614 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.321 0.792 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.752 0.608 2.140 1.00 0.00 H new ATOM 249 N LEU A 19 -3.979 -3.431 5.188 1.00 0.00 N ATOM 250 CA LEU A 19 -4.312 -4.595 5.992 1.00 0.00 C ATOM 251 C LEU A 19 -4.002 -4.300 7.461 1.00 0.00 C ATOM 252 O LEU A 19 -3.416 -3.267 7.780 1.00 0.00 O ATOM 253 CB LEU A 19 -3.606 -5.840 5.451 1.00 0.00 C ATOM 254 CG LEU A 19 -4.514 -6.942 4.904 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.696 -8.037 4.217 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.416 -7.506 6.004 1.00 0.00 C ATOM 0 H LEU A 19 -3.125 -2.949 5.468 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.379 -4.810 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.925 -5.531 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.996 -6.263 6.249 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.164 -6.503 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.366 -8.808 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.133 -7.606 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.004 -8.479 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.051 -8.288 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.800 -7.924 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.039 -6.708 6.408 1.00 0.00 H new ATOM 268 N GLY A 20 -4.408 -5.227 8.316 1.00 0.00 N ATOM 269 CA GLY A 20 -4.181 -5.080 9.743 1.00 0.00 C ATOM 270 C GLY A 20 -4.583 -3.683 10.221 1.00 0.00 C ATOM 271 O GLY A 20 -5.512 -3.083 9.683 1.00 0.00 O ATOM 0 H GLY A 20 -4.893 -6.083 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.753 -5.833 10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.129 -5.256 9.968 1.00 0.00 H new ATOM 275 N LYS A 21 -3.865 -3.207 11.227 1.00 0.00 N ATOM 276 CA LYS A 21 -4.135 -1.893 11.784 1.00 0.00 C ATOM 277 C LYS A 21 -2.900 -1.007 11.613 1.00 0.00 C ATOM 278 O LYS A 21 -1.789 -1.413 11.952 1.00 0.00 O ATOM 279 CB LYS A 21 -4.610 -2.012 13.234 1.00 0.00 C ATOM 280 CG LYS A 21 -4.854 -0.632 13.847 1.00 0.00 C ATOM 281 CD LYS A 21 -6.189 -0.051 13.377 1.00 0.00 C ATOM 282 CE LYS A 21 -6.408 1.351 13.949 1.00 0.00 C ATOM 283 NZ LYS A 21 -6.526 1.298 15.423 1.00 0.00 N ATOM 0 H LYS A 21 -3.096 -3.708 11.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.950 -1.412 11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.528 -2.598 13.272 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.865 -2.548 13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.849 -0.707 14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.043 0.041 13.570 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.209 -0.011 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.004 -0.705 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.577 1.998 13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.311 1.787 13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.889 2.207 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.181 0.536 15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.591 1.114 15.840 1.00 0.00 H new ATOM 297 N LEU A 22 -3.135 0.187 11.088 1.00 0.00 N ATOM 298 CA LEU A 22 -2.054 1.133 10.868 1.00 0.00 C ATOM 299 C LEU A 22 -2.197 2.299 11.848 1.00 0.00 C ATOM 300 O LEU A 22 -3.193 2.397 12.563 1.00 0.00 O ATOM 301 CB LEU A 22 -2.010 1.565 9.401 1.00 0.00 C ATOM 302 CG LEU A 22 -1.975 0.434 8.370 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.739 0.823 7.104 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.535 0.016 8.065 1.00 0.00 C ATOM 0 H LEU A 22 -4.058 0.521 10.809 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.090 0.664 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.882 2.187 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.131 2.192 9.254 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.479 -0.433 8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.699 0.002 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.778 1.034 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.286 1.711 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.538 -0.789 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.015 0.869 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.055 -0.330 8.980 1.00 0.00 H new ATOM 316 N SER A 23 -1.185 3.155 11.850 1.00 0.00 N ATOM 317 CA SER A 23 -1.185 4.311 12.731 1.00 0.00 C ATOM 318 C SER A 23 -2.456 5.134 12.514 1.00 0.00 C ATOM 319 O SER A 23 -3.097 5.558 13.475 1.00 0.00 O ATOM 320 CB SER A 23 0.054 5.178 12.501 1.00 0.00 C ATOM 321 OG SER A 23 0.086 6.306 13.373 1.00 0.00 O ATOM 0 H SER A 23 -0.360 3.071 11.256 1.00 0.00 H new ATOM 0 HA SER A 23 -1.161 3.956 13.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.950 4.577 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.071 5.519 11.466 1.00 0.00 H new ATOM 0 HG SER A 23 0.893 6.833 13.196 1.00 0.00 H new ATOM 327 N ARG A 24 -2.783 5.336 11.246 1.00 0.00 N ATOM 328 CA ARG A 24 -3.966 6.101 10.891 1.00 0.00 C ATOM 329 C ARG A 24 -5.157 5.166 10.670 1.00 0.00 C ATOM 330 O ARG A 24 -5.019 3.947 10.763 1.00 0.00 O ATOM 331 CB ARG A 24 -3.731 6.924 9.623 1.00 0.00 C ATOM 332 CG ARG A 24 -2.834 8.130 9.910 1.00 0.00 C ATOM 333 CD ARG A 24 -3.417 9.404 9.296 1.00 0.00 C ATOM 334 NE ARG A 24 -2.418 10.495 9.352 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.579 11.692 8.771 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.700 11.959 8.087 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.620 12.621 8.874 1.00 0.00 N ATOM 0 H ARG A 24 -2.249 4.983 10.452 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.181 6.780 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.271 6.298 8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.687 7.264 9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.724 8.258 10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.837 7.951 9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.708 9.219 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.319 9.697 9.834 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.553 10.325 9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.430 11.251 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.823 12.870 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.767 12.418 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.743 13.532 8.432 1.00 0.00 H new ATOM 351 N ASN A 25 -6.299 5.772 10.382 1.00 0.00 N ATOM 352 CA ASN A 25 -7.513 5.008 10.147 1.00 0.00 C ATOM 353 C ASN A 25 -7.647 4.719 8.650 1.00 0.00 C ATOM 354 O ASN A 25 -7.006 5.372 7.828 1.00 0.00 O ATOM 355 CB ASN A 25 -8.750 5.791 10.589 1.00 0.00 C ATOM 356 CG ASN A 25 -10.019 4.951 10.425 1.00 0.00 C ATOM 357 OD1 ASN A 25 -10.103 3.815 10.862 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.997 5.570 9.770 1.00 0.00 N ATOM 0 H ASN A 25 -6.410 6.783 10.306 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.446 4.084 10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.641 6.092 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.836 6.705 10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.884 5.093 9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.861 6.522 9.431 1.00 0.00 H new ATOM 365 N LYS A 26 -8.483 3.739 8.342 1.00 0.00 N ATOM 366 CA LYS A 26 -8.709 3.355 6.959 1.00 0.00 C ATOM 367 C LYS A 26 -9.069 4.598 6.142 1.00 0.00 C ATOM 368 O LYS A 26 -8.586 4.770 5.023 1.00 0.00 O ATOM 369 CB LYS A 26 -9.755 2.241 6.876 1.00 0.00 C ATOM 370 CG LYS A 26 -9.985 1.813 5.425 1.00 0.00 C ATOM 371 CD LYS A 26 -9.755 0.310 5.254 1.00 0.00 C ATOM 372 CE LYS A 26 -10.655 -0.261 4.156 1.00 0.00 C ATOM 373 NZ LYS A 26 -11.683 -1.152 4.740 1.00 0.00 N ATOM 0 H LYS A 26 -9.012 3.199 9.027 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.799 2.940 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.427 1.384 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.693 2.585 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.002 2.065 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.312 2.365 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.710 0.124 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.955 -0.202 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.136 0.552 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.053 -0.814 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.285 -1.531 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.219 -1.938 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.268 -0.614 5.411 1.00 0.00 H new ATOM 387 N ASP A 27 -9.913 5.431 6.732 1.00 0.00 N ATOM 388 CA ASP A 27 -10.342 6.653 6.072 1.00 0.00 C ATOM 389 C ASP A 27 -9.143 7.588 5.910 1.00 0.00 C ATOM 390 O ASP A 27 -8.752 7.914 4.790 1.00 0.00 O ATOM 391 CB ASP A 27 -11.402 7.382 6.900 1.00 0.00 C ATOM 392 CG ASP A 27 -12.303 8.330 6.106 1.00 0.00 C ATOM 393 OD1 ASP A 27 -11.746 9.280 5.514 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.529 8.085 6.109 1.00 0.00 O ATOM 0 H ASP A 27 -10.311 5.284 7.659 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.763 6.384 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.028 6.640 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.902 7.951 7.683 1.00 0.00 H new ATOM 399 N GLU A 28 -8.592 7.995 7.045 1.00 0.00 N ATOM 400 CA GLU A 28 -7.445 8.887 7.043 1.00 0.00 C ATOM 401 C GLU A 28 -6.436 8.451 5.979 1.00 0.00 C ATOM 402 O GLU A 28 -5.799 9.288 5.342 1.00 0.00 O ATOM 403 CB GLU A 28 -6.794 8.946 8.426 1.00 0.00 C ATOM 404 CG GLU A 28 -7.744 9.562 9.454 1.00 0.00 C ATOM 405 CD GLU A 28 -6.992 10.494 10.407 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.506 9.979 11.437 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.920 11.699 10.083 1.00 0.00 O ATOM 0 H GLU A 28 -8.919 7.723 7.972 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.790 9.891 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.512 7.942 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.877 9.533 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.530 10.117 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.232 8.771 10.023 1.00 0.00 H new ATOM 414 N VAL A 29 -6.321 7.141 5.819 1.00 0.00 N ATOM 415 CA VAL A 29 -5.400 6.583 4.844 1.00 0.00 C ATOM 416 C VAL A 29 -6.039 6.639 3.455 1.00 0.00 C ATOM 417 O VAL A 29 -5.443 7.160 2.513 1.00 0.00 O ATOM 418 CB VAL A 29 -4.993 5.168 5.258 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.121 4.512 4.185 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.282 5.176 6.613 1.00 0.00 C ATOM 0 H VAL A 29 -6.851 6.449 6.349 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.483 7.172 4.804 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.902 4.575 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.846 3.507 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.677 4.456 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.219 5.105 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.003 4.158 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.386 5.793 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.950 5.583 7.372 1.00 0.00 H new ATOM 430 N LYS A 30 -7.245 6.096 3.371 1.00 0.00 N ATOM 431 CA LYS A 30 -7.972 6.077 2.113 1.00 0.00 C ATOM 432 C LYS A 30 -7.937 7.474 1.488 1.00 0.00 C ATOM 433 O LYS A 30 -7.900 7.611 0.267 1.00 0.00 O ATOM 434 CB LYS A 30 -9.386 5.530 2.319 1.00 0.00 C ATOM 435 CG LYS A 30 -10.286 5.877 1.131 1.00 0.00 C ATOM 436 CD LYS A 30 -11.750 5.559 1.442 1.00 0.00 C ATOM 437 CE LYS A 30 -12.330 4.587 0.412 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.800 4.497 0.555 1.00 0.00 N ATOM 0 H LYS A 30 -7.737 5.666 4.154 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.493 5.399 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.346 4.448 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.810 5.943 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.183 6.935 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.967 5.316 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.828 5.127 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.333 6.480 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.076 4.920 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.885 3.601 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.178 3.833 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.036 4.158 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.221 5.436 0.407 1.00 0.00 H new ATOM 452 N ALA A 31 -7.951 8.475 2.356 1.00 0.00 N ATOM 453 CA ALA A 31 -7.922 9.856 1.905 1.00 0.00 C ATOM 454 C ALA A 31 -6.548 10.163 1.304 1.00 0.00 C ATOM 455 O ALA A 31 -6.454 10.668 0.187 1.00 0.00 O ATOM 456 CB ALA A 31 -8.268 10.782 3.072 1.00 0.00 C ATOM 0 H ALA A 31 -7.982 8.357 3.369 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.667 10.021 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.246 11.818 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.264 10.543 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.540 10.646 3.872 1.00 0.00 H new ATOM 462 N MET A 32 -5.517 9.845 2.073 1.00 0.00 N ATOM 463 CA MET A 32 -4.153 10.081 1.631 1.00 0.00 C ATOM 464 C MET A 32 -3.899 9.432 0.269 1.00 0.00 C ATOM 465 O MET A 32 -3.601 10.122 -0.705 1.00 0.00 O ATOM 466 CB MET A 32 -3.177 9.508 2.660 1.00 0.00 C ATOM 467 CG MET A 32 -2.599 10.616 3.543 1.00 0.00 C ATOM 468 SD MET A 32 -1.475 11.628 2.596 1.00 0.00 S ATOM 469 CE MET A 32 0.069 11.196 3.380 1.00 0.00 C ATOM 0 H MET A 32 -5.599 9.426 2.999 1.00 0.00 H new ATOM 0 HA MET A 32 -4.002 11.156 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.688 8.772 3.281 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.368 8.986 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.405 11.231 3.944 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.078 10.179 4.395 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.741 12.054 3.358 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.117 10.907 4.414 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.527 10.363 2.847 1.00 0.00 H new ATOM 479 N ILE A 33 -4.025 8.114 0.245 1.00 0.00 N ATOM 480 CA ILE A 33 -3.812 7.364 -0.982 1.00 0.00 C ATOM 481 C ILE A 33 -4.540 8.061 -2.133 1.00 0.00 C ATOM 482 O ILE A 33 -4.126 7.959 -3.287 1.00 0.00 O ATOM 483 CB ILE A 33 -4.218 5.901 -0.793 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.377 5.235 0.298 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.148 5.137 -2.117 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.110 4.034 0.898 1.00 0.00 C ATOM 0 H ILE A 33 -4.272 7.545 1.055 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.753 7.346 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.256 5.875 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.423 4.912 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.153 5.958 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.441 4.100 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.824 5.597 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.129 5.170 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.491 3.579 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.052 4.364 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.310 3.302 0.116 1.00 0.00 H new ATOM 498 N GLU A 34 -5.613 8.753 -1.779 1.00 0.00 N ATOM 499 CA GLU A 34 -6.403 9.467 -2.769 1.00 0.00 C ATOM 500 C GLU A 34 -5.833 10.869 -2.993 1.00 0.00 C ATOM 501 O GLU A 34 -5.891 11.397 -4.102 1.00 0.00 O ATOM 502 CB GLU A 34 -7.874 9.533 -2.352 1.00 0.00 C ATOM 503 CG GLU A 34 -8.594 8.222 -2.672 1.00 0.00 C ATOM 504 CD GLU A 34 -9.914 8.485 -3.399 1.00 0.00 C ATOM 505 OE1 GLU A 34 -9.908 9.365 -4.286 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.900 7.799 -3.050 1.00 0.00 O ATOM 0 H GLU A 34 -5.954 8.835 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.350 8.920 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.944 9.739 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.365 10.357 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.954 7.593 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.786 7.674 -1.750 1.00 0.00 H new ATOM 513 N LYS A 35 -5.293 11.432 -1.921 1.00 0.00 N ATOM 514 CA LYS A 35 -4.713 12.762 -1.987 1.00 0.00 C ATOM 515 C LYS A 35 -3.432 12.714 -2.822 1.00 0.00 C ATOM 516 O LYS A 35 -3.112 13.669 -3.529 1.00 0.00 O ATOM 517 CB LYS A 35 -4.509 13.328 -0.580 1.00 0.00 C ATOM 518 CG LYS A 35 -3.088 13.056 -0.081 1.00 0.00 C ATOM 519 CD LYS A 35 -2.140 14.187 -0.484 1.00 0.00 C ATOM 520 CE LYS A 35 -2.550 15.507 0.173 1.00 0.00 C ATOM 521 NZ LYS A 35 -3.141 16.422 -0.828 1.00 0.00 N ATOM 0 H LYS A 35 -5.245 10.991 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.394 13.450 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.697 14.402 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.230 12.881 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.094 12.950 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.729 12.112 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.121 13.933 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.143 14.300 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.269 15.316 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.681 15.976 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.922 16.954 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.414 17.086 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.504 15.870 -1.631 1.00 0.00 H new ATOM 535 N LEU A 36 -2.734 11.593 -2.714 1.00 0.00 N ATOM 536 CA LEU A 36 -1.496 11.409 -3.450 1.00 0.00 C ATOM 537 C LEU A 36 -1.818 11.135 -4.921 1.00 0.00 C ATOM 538 O LEU A 36 -0.935 11.197 -5.775 1.00 0.00 O ATOM 539 CB LEU A 36 -0.640 10.322 -2.796 1.00 0.00 C ATOM 540 CG LEU A 36 0.259 10.778 -1.645 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.998 12.069 -2.005 1.00 0.00 C ATOM 542 CD2 LEU A 36 -0.539 10.918 -0.348 1.00 0.00 C ATOM 0 H LEU A 36 -3.003 10.803 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.896 12.318 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.302 9.540 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.012 9.871 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 36 1.014 10.010 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.630 12.371 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.617 11.900 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.274 12.856 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.124 11.243 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.331 11.655 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.980 9.956 -0.086 1.00 0.00 H new ATOM 554 N GLY A 37 -3.085 10.840 -5.171 1.00 0.00 N ATOM 555 CA GLY A 37 -3.534 10.557 -6.524 1.00 0.00 C ATOM 556 C GLY A 37 -3.938 9.089 -6.672 1.00 0.00 C ATOM 557 O GLY A 37 -4.610 8.720 -7.633 1.00 0.00 O ATOM 0 H GLY A 37 -3.815 10.791 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.381 11.198 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.739 10.792 -7.231 1.00 0.00 H new ATOM 561 N GLY A 38 -3.511 8.290 -5.704 1.00 0.00 N ATOM 562 CA GLY A 38 -3.820 6.871 -5.715 1.00 0.00 C ATOM 563 C GLY A 38 -5.280 6.624 -5.331 1.00 0.00 C ATOM 564 O GLY A 38 -6.105 7.534 -5.396 1.00 0.00 O ATOM 0 H GLY A 38 -2.954 8.599 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.627 6.461 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.164 6.347 -5.020 1.00 0.00 H new ATOM 568 N LYS A 39 -5.555 5.389 -4.939 1.00 0.00 N ATOM 569 CA LYS A 39 -6.902 5.011 -4.545 1.00 0.00 C ATOM 570 C LYS A 39 -6.845 3.724 -3.720 1.00 0.00 C ATOM 571 O LYS A 39 -6.231 2.742 -4.136 1.00 0.00 O ATOM 572 CB LYS A 39 -7.812 4.916 -5.771 1.00 0.00 C ATOM 573 CG LYS A 39 -8.528 6.244 -6.026 1.00 0.00 C ATOM 574 CD LYS A 39 -8.224 6.769 -7.431 1.00 0.00 C ATOM 575 CE LYS A 39 -9.448 6.643 -8.340 1.00 0.00 C ATOM 576 NZ LYS A 39 -9.045 6.202 -9.694 1.00 0.00 N ATOM 0 H LYS A 39 -4.868 4.637 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.342 5.779 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.222 4.643 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.547 4.125 -5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.603 6.110 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.215 6.978 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.915 7.813 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.390 6.212 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.153 5.929 -7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.963 7.602 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.888 6.122 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.390 6.897 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.574 5.277 -9.632 1.00 0.00 H new ATOM 590 N LEU A 40 -7.493 3.770 -2.565 1.00 0.00 N ATOM 591 CA LEU A 40 -7.524 2.620 -1.678 1.00 0.00 C ATOM 592 C LEU A 40 -8.483 1.570 -2.244 1.00 0.00 C ATOM 593 O LEU A 40 -9.564 1.907 -2.724 1.00 0.00 O ATOM 594 CB LEU A 40 -7.860 3.053 -0.250 1.00 0.00 C ATOM 595 CG LEU A 40 -7.633 2.004 0.841 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.676 2.527 1.914 1.00 0.00 C ATOM 597 CD2 LEU A 40 -8.963 1.537 1.437 1.00 0.00 C ATOM 0 H LEU A 40 -8.001 4.586 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.539 2.156 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.264 3.933 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.906 3.358 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.161 1.134 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.532 1.762 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.716 2.770 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.097 3.422 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.774 0.792 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.485 2.388 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.579 1.098 0.652 1.00 0.00 H new ATOM 609 N THR A 41 -8.053 0.320 -2.168 1.00 0.00 N ATOM 610 CA THR A 41 -8.860 -0.781 -2.666 1.00 0.00 C ATOM 611 C THR A 41 -8.995 -1.870 -1.599 1.00 0.00 C ATOM 612 O THR A 41 -8.308 -1.833 -0.579 1.00 0.00 O ATOM 613 CB THR A 41 -8.228 -1.280 -3.967 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.081 -2.342 -4.383 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.875 -1.957 -3.738 1.00 0.00 C ATOM 0 H THR A 41 -7.156 0.045 -1.769 1.00 0.00 H new ATOM 0 HA THR A 41 -9.878 -0.457 -2.885 1.00 0.00 H new ATOM 0 HB THR A 41 -8.104 -0.443 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.745 -2.722 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.470 -2.293 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.186 -1.247 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.004 -2.814 -3.077 1.00 0.00 H new ATOM 623 N GLY A 42 -9.884 -2.813 -1.871 1.00 0.00 N ATOM 624 CA GLY A 42 -10.117 -3.910 -0.948 1.00 0.00 C ATOM 625 C GLY A 42 -9.439 -5.192 -1.436 1.00 0.00 C ATOM 626 O GLY A 42 -8.996 -6.010 -0.631 1.00 0.00 O ATOM 0 H GLY A 42 -10.452 -2.840 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.737 -3.646 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.189 -4.079 -0.842 1.00 0.00 H new ATOM 630 N THR A 43 -9.380 -5.327 -2.753 1.00 0.00 N ATOM 631 CA THR A 43 -8.763 -6.495 -3.358 1.00 0.00 C ATOM 632 C THR A 43 -7.257 -6.279 -3.522 1.00 0.00 C ATOM 633 O THR A 43 -6.819 -5.189 -3.885 1.00 0.00 O ATOM 634 CB THR A 43 -9.483 -6.780 -4.678 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.854 -6.900 -4.307 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.131 -8.153 -5.253 1.00 0.00 C ATOM 0 H THR A 43 -9.749 -4.647 -3.418 1.00 0.00 H new ATOM 0 HA THR A 43 -8.866 -7.372 -2.719 1.00 0.00 H new ATOM 0 HB THR A 43 -9.229 -6.007 -5.404 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.394 -7.084 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.669 -8.304 -6.189 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.058 -8.206 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.415 -8.929 -4.542 1.00 0.00 H new ATOM 644 N ALA A 44 -6.507 -7.336 -3.246 1.00 0.00 N ATOM 645 CA ALA A 44 -5.059 -7.275 -3.358 1.00 0.00 C ATOM 646 C ALA A 44 -4.654 -7.519 -4.813 1.00 0.00 C ATOM 647 O ALA A 44 -3.790 -6.825 -5.346 1.00 0.00 O ATOM 648 CB ALA A 44 -4.430 -8.289 -2.400 1.00 0.00 C ATOM 0 H ALA A 44 -6.874 -8.239 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.693 -6.288 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.344 -8.244 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.725 -8.055 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.772 -9.292 -2.656 1.00 0.00 H new ATOM 654 N ASN A 45 -5.298 -8.508 -5.415 1.00 0.00 N ATOM 655 CA ASN A 45 -5.016 -8.853 -6.799 1.00 0.00 C ATOM 656 C ASN A 45 -5.288 -7.638 -7.688 1.00 0.00 C ATOM 657 O ASN A 45 -4.831 -7.585 -8.829 1.00 0.00 O ATOM 658 CB ASN A 45 -5.912 -9.998 -7.275 1.00 0.00 C ATOM 659 CG ASN A 45 -5.661 -11.267 -6.458 1.00 0.00 C ATOM 660 OD1 ASN A 45 -5.454 -11.231 -5.256 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.692 -12.386 -7.175 1.00 0.00 N ATOM 0 H ASN A 45 -6.014 -9.082 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.973 -9.161 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.959 -9.706 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.724 -10.197 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.537 -13.287 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.871 -12.344 -8.178 1.00 0.00 H new ATOM 668 N LYS A 46 -6.030 -6.692 -7.132 1.00 0.00 N ATOM 669 CA LYS A 46 -6.368 -5.481 -7.860 1.00 0.00 C ATOM 670 C LYS A 46 -5.751 -4.274 -7.150 1.00 0.00 C ATOM 671 O LYS A 46 -6.413 -3.254 -6.963 1.00 0.00 O ATOM 672 CB LYS A 46 -7.883 -5.375 -8.049 1.00 0.00 C ATOM 673 CG LYS A 46 -8.411 -6.528 -8.904 1.00 0.00 C ATOM 674 CD LYS A 46 -9.164 -6.003 -10.128 1.00 0.00 C ATOM 675 CE LYS A 46 -9.693 -7.157 -10.983 1.00 0.00 C ATOM 676 NZ LYS A 46 -8.609 -7.725 -11.816 1.00 0.00 N ATOM 0 H LYS A 46 -6.407 -6.740 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.945 -5.510 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.376 -5.383 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.128 -4.424 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.581 -7.157 -9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.073 -7.155 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.994 -5.374 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.502 -5.377 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.110 -7.932 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.503 -6.803 -11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.985 -8.507 -12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.230 -6.987 -12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.849 -8.081 -11.201 1.00 0.00 H new ATOM 690 N ALA A 47 -4.491 -4.431 -6.773 1.00 0.00 N ATOM 691 CA ALA A 47 -3.777 -3.367 -6.088 1.00 0.00 C ATOM 692 C ALA A 47 -2.341 -3.303 -6.611 1.00 0.00 C ATOM 693 O ALA A 47 -1.832 -4.280 -7.159 1.00 0.00 O ATOM 694 CB ALA A 47 -3.838 -3.602 -4.577 1.00 0.00 C ATOM 0 H ALA A 47 -3.946 -5.279 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.243 -2.402 -6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.302 -2.804 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.878 -3.609 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.377 -4.560 -4.339 1.00 0.00 H new ATOM 700 N SER A 48 -1.727 -2.144 -6.423 1.00 0.00 N ATOM 701 CA SER A 48 -0.360 -1.940 -6.869 1.00 0.00 C ATOM 702 C SER A 48 0.585 -1.914 -5.665 1.00 0.00 C ATOM 703 O SER A 48 1.756 -2.270 -5.783 1.00 0.00 O ATOM 704 CB SER A 48 -0.230 -0.645 -7.673 1.00 0.00 C ATOM 705 OG SER A 48 1.127 -0.347 -7.990 1.00 0.00 O ATOM 0 H SER A 48 -2.152 -1.336 -5.967 1.00 0.00 H new ATOM 0 HA SER A 48 -0.086 -2.770 -7.521 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.807 -0.731 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.659 0.180 -7.104 1.00 0.00 H new ATOM 0 HG SER A 48 1.181 -0.002 -8.906 1.00 0.00 H new ATOM 711 N LEU A 49 0.040 -1.488 -4.535 1.00 0.00 N ATOM 712 CA LEU A 49 0.819 -1.411 -3.311 1.00 0.00 C ATOM 713 C LEU A 49 0.017 -2.023 -2.161 1.00 0.00 C ATOM 714 O LEU A 49 -1.169 -2.314 -2.313 1.00 0.00 O ATOM 715 CB LEU A 49 1.267 0.029 -3.051 1.00 0.00 C ATOM 716 CG LEU A 49 2.732 0.343 -3.365 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.065 1.797 -3.028 1.00 0.00 C ATOM 718 CD2 LEU A 49 3.667 -0.638 -2.655 1.00 0.00 C ATOM 0 H LEU A 49 -0.932 -1.193 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 49 1.735 -1.993 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.639 0.696 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.083 0.262 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 49 2.886 0.217 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.112 1.994 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.432 2.461 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.890 1.974 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.702 -0.393 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.518 -0.568 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.449 -1.653 -2.986 1.00 0.00 H new ATOM 730 N CYS A 50 0.695 -2.199 -1.036 1.00 0.00 N ATOM 731 CA CYS A 50 0.060 -2.770 0.139 1.00 0.00 C ATOM 732 C CYS A 50 0.654 -2.101 1.380 1.00 0.00 C ATOM 733 O CYS A 50 1.862 -2.163 1.605 1.00 0.00 O ATOM 734 CB CYS A 50 0.215 -4.292 0.182 1.00 0.00 C ATOM 735 SG CYS A 50 -0.667 -4.970 1.635 1.00 0.00 S ATOM 0 H CYS A 50 1.678 -1.956 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.013 -2.580 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.182 -4.732 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.271 -4.557 0.231 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.487 -4.186 2.657 1.00 0.00 H new ATOM 741 N ILE A 51 -0.222 -1.475 2.152 1.00 0.00 N ATOM 742 CA ILE A 51 0.201 -0.795 3.364 1.00 0.00 C ATOM 743 C ILE A 51 -0.285 -1.583 4.582 1.00 0.00 C ATOM 744 O ILE A 51 -1.425 -1.422 5.016 1.00 0.00 O ATOM 745 CB ILE A 51 -0.263 0.663 3.350 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.344 1.420 2.166 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.040 1.348 4.684 1.00 0.00 C ATOM 748 CD1 ILE A 51 0.002 2.910 2.235 1.00 0.00 C ATOM 0 H ILE A 51 -1.223 -1.425 1.962 1.00 0.00 H new ATOM 0 HA ILE A 51 1.289 -0.759 3.420 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.345 0.676 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.426 1.291 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.029 1.000 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.300 2.383 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.478 0.825 5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.114 1.325 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.445 3.425 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.080 3.036 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.397 3.332 3.159 1.00 0.00 H new ATOM 760 N SER A 52 0.604 -2.418 5.100 1.00 0.00 N ATOM 761 CA SER A 52 0.279 -3.231 6.260 1.00 0.00 C ATOM 762 C SER A 52 1.368 -3.081 7.325 1.00 0.00 C ATOM 763 O SER A 52 2.261 -2.246 7.191 1.00 0.00 O ATOM 764 CB SER A 52 0.115 -4.702 5.872 1.00 0.00 C ATOM 765 OG SER A 52 -0.787 -5.385 6.739 1.00 0.00 O ATOM 0 H SER A 52 1.549 -2.549 4.738 1.00 0.00 H new ATOM 0 HA SER A 52 -0.670 -2.883 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.248 -4.768 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.087 -5.195 5.899 1.00 0.00 H new ATOM 0 HG SER A 52 -1.159 -4.752 7.389 1.00 0.00 H new ATOM 771 N THR A 53 1.257 -3.904 8.358 1.00 0.00 N ATOM 772 CA THR A 53 2.221 -3.873 9.445 1.00 0.00 C ATOM 773 C THR A 53 3.029 -5.172 9.478 1.00 0.00 C ATOM 774 O THR A 53 2.573 -6.204 8.987 1.00 0.00 O ATOM 775 CB THR A 53 1.460 -3.598 10.743 1.00 0.00 C ATOM 776 OG1 THR A 53 0.360 -4.502 10.700 1.00 0.00 O ATOM 777 CG2 THR A 53 0.805 -2.215 10.756 1.00 0.00 C ATOM 0 H THR A 53 0.515 -4.596 8.465 1.00 0.00 H new ATOM 0 HA THR A 53 2.951 -3.076 9.304 1.00 0.00 H new ATOM 0 HB THR A 53 2.143 -3.685 11.588 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.186 -4.392 11.506 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.278 -2.071 11.699 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.572 -1.448 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.098 -2.140 9.930 1.00 0.00 H new ATOM 785 N LYS A 54 4.214 -5.079 10.062 1.00 0.00 N ATOM 786 CA LYS A 54 5.090 -6.234 10.165 1.00 0.00 C ATOM 787 C LYS A 54 4.293 -7.427 10.697 1.00 0.00 C ATOM 788 O LYS A 54 4.411 -8.537 10.180 1.00 0.00 O ATOM 789 CB LYS A 54 6.324 -5.897 11.004 1.00 0.00 C ATOM 790 CG LYS A 54 7.105 -7.163 11.364 1.00 0.00 C ATOM 791 CD LYS A 54 8.598 -6.987 11.078 1.00 0.00 C ATOM 792 CE LYS A 54 8.902 -7.212 9.595 1.00 0.00 C ATOM 793 NZ LYS A 54 9.797 -6.150 9.083 1.00 0.00 N ATOM 0 H LYS A 54 4.588 -4.222 10.469 1.00 0.00 H new ATOM 0 HA LYS A 54 5.468 -6.514 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.968 -5.213 10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.019 -5.382 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.958 -7.397 12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.719 -8.007 10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.912 -5.985 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.173 -7.689 11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.369 -8.187 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.973 -7.220 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.993 -6.317 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.338 -5.224 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.690 -6.161 9.616 1.00 0.00 H new ATOM 807 N LYS A 55 3.499 -7.158 11.723 1.00 0.00 N ATOM 808 CA LYS A 55 2.683 -8.195 12.330 1.00 0.00 C ATOM 809 C LYS A 55 1.843 -8.876 11.248 1.00 0.00 C ATOM 810 O LYS A 55 1.834 -10.102 11.144 1.00 0.00 O ATOM 811 CB LYS A 55 1.854 -7.620 13.480 1.00 0.00 C ATOM 812 CG LYS A 55 2.579 -7.789 14.817 1.00 0.00 C ATOM 813 CD LYS A 55 2.335 -6.585 15.729 1.00 0.00 C ATOM 814 CE LYS A 55 1.910 -7.035 17.129 1.00 0.00 C ATOM 815 NZ LYS A 55 2.687 -6.315 18.162 1.00 0.00 N ATOM 0 H LYS A 55 3.404 -6.236 12.149 1.00 0.00 H new ATOM 0 HA LYS A 55 3.314 -8.964 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.659 -6.563 13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.886 -8.120 13.521 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.234 -8.698 15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.648 -7.907 14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.243 -5.985 15.796 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.563 -5.948 15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.845 -6.848 17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.062 -8.109 17.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.387 -6.632 19.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.700 -6.514 18.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.521 -5.292 18.071 1.00 0.00 H new ATOM 829 N GLU A 56 1.159 -8.052 10.469 1.00 0.00 N ATOM 830 CA GLU A 56 0.318 -8.560 9.398 1.00 0.00 C ATOM 831 C GLU A 56 1.123 -9.486 8.484 1.00 0.00 C ATOM 832 O GLU A 56 0.853 -10.683 8.414 1.00 0.00 O ATOM 833 CB GLU A 56 -0.308 -7.413 8.602 1.00 0.00 C ATOM 834 CG GLU A 56 -1.836 -7.483 8.648 1.00 0.00 C ATOM 835 CD GLU A 56 -2.340 -8.820 8.100 1.00 0.00 C ATOM 836 OE1 GLU A 56 -2.288 -9.804 8.869 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.766 -8.827 6.925 1.00 0.00 O ATOM 0 H GLU A 56 1.170 -7.036 10.558 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.494 -9.136 9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.028 -6.459 9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.031 -7.457 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.179 -7.354 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.259 -6.664 8.066 1.00 0.00 H new ATOM 844 N VAL A 57 2.097 -8.895 7.806 1.00 0.00 N ATOM 845 CA VAL A 57 2.944 -9.652 6.900 1.00 0.00 C ATOM 846 C VAL A 57 3.398 -10.940 7.590 1.00 0.00 C ATOM 847 O VAL A 57 3.673 -11.939 6.927 1.00 0.00 O ATOM 848 CB VAL A 57 4.111 -8.784 6.426 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.077 -9.591 5.557 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.607 -7.546 5.682 1.00 0.00 C ATOM 0 H VAL A 57 2.318 -7.901 7.866 1.00 0.00 H new ATOM 0 HA VAL A 57 2.388 -9.940 6.008 1.00 0.00 H new ATOM 0 HB VAL A 57 4.656 -8.446 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.897 -8.950 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.475 -10.426 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.548 -9.973 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.457 -6.946 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.026 -7.855 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.978 -6.953 6.346 1.00 0.00 H new ATOM 860 N GLU A 58 3.463 -10.875 8.911 1.00 0.00 N ATOM 861 CA GLU A 58 3.879 -12.024 9.698 1.00 0.00 C ATOM 862 C GLU A 58 2.737 -13.036 9.805 1.00 0.00 C ATOM 863 O GLU A 58 2.965 -14.243 9.752 1.00 0.00 O ATOM 864 CB GLU A 58 4.361 -11.593 11.084 1.00 0.00 C ATOM 865 CG GLU A 58 5.890 -11.583 11.154 1.00 0.00 C ATOM 866 CD GLU A 58 6.373 -11.640 12.605 1.00 0.00 C ATOM 867 OE1 GLU A 58 5.890 -12.537 13.329 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.214 -10.785 12.957 1.00 0.00 O ATOM 0 H GLU A 58 3.235 -10.044 9.457 1.00 0.00 H new ATOM 0 HA GLU A 58 4.716 -12.503 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.976 -10.599 11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.963 -12.272 11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.288 -12.433 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.274 -10.683 10.674 1.00 0.00 H new ATOM 875 N LYS A 59 1.531 -12.506 9.953 1.00 0.00 N ATOM 876 CA LYS A 59 0.353 -13.349 10.068 1.00 0.00 C ATOM 877 C LYS A 59 0.222 -14.210 8.811 1.00 0.00 C ATOM 878 O LYS A 59 0.046 -15.424 8.901 1.00 0.00 O ATOM 879 CB LYS A 59 -0.886 -12.500 10.363 1.00 0.00 C ATOM 880 CG LYS A 59 -1.162 -12.437 11.867 1.00 0.00 C ATOM 881 CD LYS A 59 -0.693 -11.105 12.455 1.00 0.00 C ATOM 882 CE LYS A 59 0.476 -11.313 13.420 1.00 0.00 C ATOM 883 NZ LYS A 59 0.017 -11.198 14.823 1.00 0.00 N ATOM 0 H LYS A 59 1.345 -11.504 9.996 1.00 0.00 H new ATOM 0 HA LYS A 59 0.454 -14.031 10.913 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.742 -11.492 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.750 -12.920 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.229 -12.564 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.652 -13.260 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.390 -10.435 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.519 -10.623 12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.920 -12.295 13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.253 -10.574 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.823 -11.342 15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.386 -10.252 14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.708 -11.919 15.011 1.00 0.00 H new ATOM 897 N MET A 60 0.315 -13.548 7.666 1.00 0.00 N ATOM 898 CA MET A 60 0.209 -14.239 6.392 1.00 0.00 C ATOM 899 C MET A 60 -1.168 -14.885 6.231 1.00 0.00 C ATOM 900 O MET A 60 -1.280 -15.996 5.715 1.00 0.00 O ATOM 901 CB MET A 60 1.293 -15.316 6.304 1.00 0.00 C ATOM 902 CG MET A 60 2.593 -14.741 5.738 1.00 0.00 C ATOM 903 SD MET A 60 2.644 -14.973 3.969 1.00 0.00 S ATOM 904 CE MET A 60 2.150 -13.346 3.428 1.00 0.00 C ATOM 0 H MET A 60 0.462 -12.541 7.594 1.00 0.00 H new ATOM 0 HA MET A 60 0.342 -13.510 5.592 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.477 -15.734 7.294 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.947 -16.134 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.665 -13.680 5.976 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.449 -15.230 6.202 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.596 -13.135 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.064 -13.304 3.345 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.487 -12.604 4.152 1.00 0.00 H new ATOM 914 N ASN A 61 -2.182 -14.162 6.682 1.00 0.00 N ATOM 915 CA ASN A 61 -3.547 -14.651 6.594 1.00 0.00 C ATOM 916 C ASN A 61 -3.985 -14.670 5.128 1.00 0.00 C ATOM 917 O ASN A 61 -3.180 -14.414 4.233 1.00 0.00 O ATOM 918 CB ASN A 61 -4.509 -13.742 7.362 1.00 0.00 C ATOM 919 CG ASN A 61 -5.693 -14.538 7.915 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.654 -15.751 8.040 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.744 -13.790 8.238 1.00 0.00 N ATOM 0 H ASN A 61 -2.086 -13.241 7.110 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.574 -15.652 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.979 -13.255 8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.873 -12.953 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.584 -14.227 8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.710 -12.779 8.108 1.00 0.00 H new ATOM 928 N LYS A 62 -5.258 -14.975 4.927 1.00 0.00 N ATOM 929 CA LYS A 62 -5.812 -15.030 3.585 1.00 0.00 C ATOM 930 C LYS A 62 -5.652 -13.664 2.915 1.00 0.00 C ATOM 931 O LYS A 62 -5.332 -13.583 1.730 1.00 0.00 O ATOM 932 CB LYS A 62 -7.257 -15.532 3.622 1.00 0.00 C ATOM 933 CG LYS A 62 -8.033 -14.885 4.771 1.00 0.00 C ATOM 934 CD LYS A 62 -8.186 -15.855 5.944 1.00 0.00 C ATOM 935 CE LYS A 62 -9.635 -16.328 6.078 1.00 0.00 C ATOM 936 NZ LYS A 62 -10.510 -15.209 6.493 1.00 0.00 N ATOM 0 H LYS A 62 -5.922 -15.187 5.671 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.265 -15.750 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.748 -15.308 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.266 -16.616 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.515 -13.986 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.017 -14.575 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.531 -16.714 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.872 -15.368 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.980 -16.734 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.694 -17.134 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.357 -15.587 6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.995 -14.592 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.794 -14.661 5.656 1.00 0.00 H new ATOM 950 N LYS A 63 -5.883 -12.624 3.703 1.00 0.00 N ATOM 951 CA LYS A 63 -5.769 -11.265 3.201 1.00 0.00 C ATOM 952 C LYS A 63 -4.349 -11.038 2.676 1.00 0.00 C ATOM 953 O LYS A 63 -4.160 -10.744 1.497 1.00 0.00 O ATOM 954 CB LYS A 63 -6.197 -10.260 4.273 1.00 0.00 C ATOM 955 CG LYS A 63 -7.639 -10.512 4.715 1.00 0.00 C ATOM 956 CD LYS A 63 -7.682 -11.198 6.082 1.00 0.00 C ATOM 957 CE LYS A 63 -8.629 -10.466 7.034 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.947 -11.139 7.073 1.00 0.00 N ATOM 0 H LYS A 63 -6.149 -12.695 4.685 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.448 -11.110 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.531 -10.334 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.104 -9.246 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.179 -9.566 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.146 -11.133 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.007 -12.232 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.680 -11.226 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.198 -10.438 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.751 -9.432 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.578 -10.629 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.363 -11.143 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.827 -12.118 7.403 1.00 0.00 H new ATOM 972 N MET A 64 -3.389 -11.182 3.578 1.00 0.00 N ATOM 973 CA MET A 64 -1.993 -10.996 3.220 1.00 0.00 C ATOM 974 C MET A 64 -1.582 -11.952 2.100 1.00 0.00 C ATOM 975 O MET A 64 -0.687 -11.645 1.314 1.00 0.00 O ATOM 976 CB MET A 64 -1.115 -11.241 4.449 1.00 0.00 C ATOM 977 CG MET A 64 0.328 -10.802 4.188 1.00 0.00 C ATOM 978 SD MET A 64 0.367 -9.078 3.727 1.00 0.00 S ATOM 979 CE MET A 64 -0.048 -8.329 5.293 1.00 0.00 C ATOM 0 H MET A 64 -3.550 -11.425 4.555 1.00 0.00 H new ATOM 0 HA MET A 64 -1.861 -9.974 2.865 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.517 -10.694 5.302 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.136 -12.299 4.710 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.933 -10.962 5.081 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.764 -11.409 3.395 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.923 -7.691 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.267 -9.109 6.023 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.792 -7.729 5.644 1.00 0.00 H new ATOM 989 N GLU A 65 -2.256 -13.093 2.061 1.00 0.00 N ATOM 990 CA GLU A 65 -1.971 -14.096 1.050 1.00 0.00 C ATOM 991 C GLU A 65 -2.218 -13.525 -0.348 1.00 0.00 C ATOM 992 O GLU A 65 -1.397 -13.699 -1.248 1.00 0.00 O ATOM 993 CB GLU A 65 -2.803 -15.359 1.281 1.00 0.00 C ATOM 994 CG GLU A 65 -1.999 -16.413 2.044 1.00 0.00 C ATOM 995 CD GLU A 65 -1.648 -17.596 1.140 1.00 0.00 C ATOM 996 OE1 GLU A 65 -1.026 -17.340 0.086 1.00 0.00 O ATOM 997 OE2 GLU A 65 -2.010 -18.730 1.522 1.00 0.00 O ATOM 0 H GLU A 65 -2.998 -13.344 2.714 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.920 -14.374 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.704 -15.108 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.126 -15.766 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.085 -15.966 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.574 -16.764 2.901 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.353 -12.855 -0.487 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.718 -12.258 -1.761 1.00 0.00 C ATOM 1006 C GLU A 66 -2.597 -11.343 -2.258 1.00 0.00 C ATOM 1007 O GLU A 66 -2.310 -11.301 -3.454 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.040 -11.495 -1.649 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.154 -12.403 -1.124 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.976 -12.985 -2.276 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.478 -13.948 -2.899 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.083 -12.454 -2.508 1.00 0.00 O ATOM 0 H GLU A 66 -4.032 -12.712 0.261 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.858 -13.057 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.916 -10.642 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.319 -11.098 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.721 -13.212 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.805 -11.838 -0.457 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.994 -10.632 -1.316 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.912 -9.720 -1.644 1.00 0.00 C ATOM 1021 C VAL A 67 0.313 -10.526 -2.081 1.00 0.00 C ATOM 1022 O VAL A 67 1.012 -10.143 -3.018 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.628 -8.796 -0.458 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.404 -7.729 -0.829 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.918 -8.156 0.058 1.00 0.00 C ATOM 0 H VAL A 67 -2.235 -10.669 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.194 -9.078 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.209 -9.401 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.588 -7.086 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.335 -8.211 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.025 -7.129 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.689 -7.504 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.378 -7.571 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.608 -8.936 0.380 1.00 0.00 H new ATOM 1035 N LYS A 68 0.537 -11.629 -1.380 1.00 0.00 N ATOM 1036 CA LYS A 68 1.666 -12.492 -1.683 1.00 0.00 C ATOM 1037 C LYS A 68 1.439 -13.163 -3.040 1.00 0.00 C ATOM 1038 O LYS A 68 2.391 -13.425 -3.773 1.00 0.00 O ATOM 1039 CB LYS A 68 1.906 -13.481 -0.541 1.00 0.00 C ATOM 1040 CG LYS A 68 3.165 -14.313 -0.792 1.00 0.00 C ATOM 1041 CD LYS A 68 3.781 -14.787 0.526 1.00 0.00 C ATOM 1042 CE LYS A 68 5.186 -15.350 0.304 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.134 -16.543 -0.570 1.00 0.00 N ATOM 0 H LYS A 68 -0.044 -11.944 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 68 2.582 -11.907 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.005 -12.939 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.044 -14.141 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.918 -15.174 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.893 -13.720 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.825 -13.956 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.146 -15.551 0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.822 -14.589 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.634 -15.613 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.080 -16.972 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.464 -17.234 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.822 -16.263 -1.522 1.00 0.00 H new ATOM 1057 N GLU A 69 0.173 -13.421 -3.332 1.00 0.00 N ATOM 1058 CA GLU A 69 -0.191 -14.056 -4.587 1.00 0.00 C ATOM 1059 C GLU A 69 0.051 -13.099 -5.756 1.00 0.00 C ATOM 1060 O GLU A 69 0.593 -13.496 -6.787 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.644 -14.533 -4.560 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.911 -15.411 -3.336 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.495 -16.764 -3.749 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -1.703 -17.598 -4.238 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -3.719 -16.933 -3.565 1.00 0.00 O ATOM 0 H GLU A 69 -0.614 -13.202 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 69 0.441 -14.933 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.313 -13.672 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.863 -15.094 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.983 -15.564 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.602 -14.903 -2.663 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.363 -11.856 -5.557 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.198 -10.839 -6.581 1.00 0.00 C ATOM 1074 C ALA A 70 1.196 -10.220 -6.460 1.00 0.00 C ATOM 1075 O ALA A 70 1.498 -9.228 -7.122 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.312 -9.798 -6.451 1.00 0.00 C ATOM 0 H ALA A 70 -0.813 -11.530 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.277 -11.279 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.188 -9.035 -7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.280 -10.284 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.262 -9.333 -5.466 1.00 0.00 H new ATOM 1082 N ASN A 71 2.008 -10.832 -5.610 1.00 0.00 N ATOM 1083 CA ASN A 71 3.363 -10.353 -5.394 1.00 0.00 C ATOM 1084 C ASN A 71 3.350 -8.826 -5.296 1.00 0.00 C ATOM 1085 O ASN A 71 3.920 -8.141 -6.145 1.00 0.00 O ATOM 1086 CB ASN A 71 4.277 -10.745 -6.556 1.00 0.00 C ATOM 1087 CG ASN A 71 5.610 -11.294 -6.044 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.677 -10.759 -6.630 1.00 0.00 O flip ATOM 1089 ND2 ASN A 71 5.666 -12.148 -5.174 1.00 0.00 N flip ATOM 0 H ASN A 71 1.754 -11.655 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 71 3.737 -10.802 -4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.784 -11.495 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.457 -9.877 -7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.807 -12.517 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.572 -12.493 -4.855 1.00 0.00 H new ATOM 1096 N ILE A 72 2.694 -8.337 -4.254 1.00 0.00 N ATOM 1097 CA ILE A 72 2.600 -6.904 -4.034 1.00 0.00 C ATOM 1098 C ILE A 72 3.421 -6.527 -2.800 1.00 0.00 C ATOM 1099 O ILE A 72 3.108 -6.950 -1.688 1.00 0.00 O ATOM 1100 CB ILE A 72 1.135 -6.469 -3.955 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.361 -6.923 -5.194 1.00 0.00 C ATOM 1102 CG2 ILE A 72 1.022 -4.960 -3.730 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.148 -6.781 -4.981 1.00 0.00 C ATOM 0 H ILE A 72 2.222 -8.908 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 72 3.025 -6.360 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 72 0.680 -6.958 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.667 -6.330 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.604 -7.962 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.030 -4.678 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.516 -4.693 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.499 -4.432 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.674 -7.110 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.455 -7.394 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.391 -5.737 -4.781 1.00 0.00 H new ATOM 1115 N ARG A 73 4.456 -5.734 -3.037 1.00 0.00 N ATOM 1116 CA ARG A 73 5.324 -5.294 -1.958 1.00 0.00 C ATOM 1117 C ARG A 73 4.510 -4.572 -0.882 1.00 0.00 C ATOM 1118 O ARG A 73 3.757 -3.648 -1.184 1.00 0.00 O ATOM 1119 CB ARG A 73 6.416 -4.357 -2.477 1.00 0.00 C ATOM 1120 CG ARG A 73 5.859 -2.955 -2.732 1.00 0.00 C ATOM 1121 CD ARG A 73 6.771 -2.166 -3.675 1.00 0.00 C ATOM 1122 NE ARG A 73 8.180 -2.571 -3.472 1.00 0.00 N ATOM 1123 CZ ARG A 73 9.151 -2.390 -4.378 1.00 0.00 C ATOM 1124 NH1 ARG A 73 8.871 -1.811 -5.554 1.00 0.00 N ATOM 1125 NH2 ARG A 73 10.401 -2.789 -4.108 1.00 0.00 N ATOM 0 H ARG A 73 4.713 -5.385 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 73 5.794 -6.179 -1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.229 -4.303 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.837 -4.758 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.861 -3.029 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.759 -2.422 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.478 -2.343 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.661 -1.097 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 73 8.427 -3.015 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.919 -1.508 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.610 -1.673 -6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.613 -3.230 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.140 -2.652 -4.797 1.00 0.00 H new ATOM 1139 N VAL A 74 4.690 -5.021 0.352 1.00 0.00 N ATOM 1140 CA VAL A 74 3.982 -4.429 1.474 1.00 0.00 C ATOM 1141 C VAL A 74 4.903 -3.437 2.187 1.00 0.00 C ATOM 1142 O VAL A 74 6.020 -3.785 2.566 1.00 0.00 O ATOM 1143 CB VAL A 74 3.455 -5.528 2.399 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.479 -4.957 3.429 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.807 -6.657 1.596 1.00 0.00 C ATOM 0 H VAL A 74 5.316 -5.788 0.599 1.00 0.00 H new ATOM 0 HA VAL A 74 3.112 -3.872 1.126 1.00 0.00 H new ATOM 0 HB VAL A 74 4.304 -5.946 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.120 -5.759 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.987 -4.205 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.634 -4.499 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.441 -7.425 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.974 -6.259 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.544 -7.093 0.921 1.00 0.00 H new ATOM 1155 N VAL A 75 4.400 -2.222 2.348 1.00 0.00 N ATOM 1156 CA VAL A 75 5.164 -1.178 3.009 1.00 0.00 C ATOM 1157 C VAL A 75 4.402 -0.700 4.247 1.00 0.00 C ATOM 1158 O VAL A 75 3.268 -1.114 4.480 1.00 0.00 O ATOM 1159 CB VAL A 75 5.470 -0.049 2.023 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.232 -0.576 0.805 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.188 0.670 1.599 1.00 0.00 C ATOM 0 H VAL A 75 3.473 -1.937 2.032 1.00 0.00 H new ATOM 0 HA VAL A 75 6.125 -1.565 3.348 1.00 0.00 H new ATOM 0 HB VAL A 75 6.108 0.675 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.437 0.247 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.173 -1.021 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.630 -1.329 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.433 1.468 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.514 -0.040 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.702 1.095 2.477 1.00 0.00 H new ATOM 1171 N SER A 76 5.057 0.164 5.009 1.00 0.00 N ATOM 1172 CA SER A 76 4.455 0.703 6.217 1.00 0.00 C ATOM 1173 C SER A 76 3.642 1.955 5.883 1.00 0.00 C ATOM 1174 O SER A 76 3.580 2.369 4.726 1.00 0.00 O ATOM 1175 CB SER A 76 5.521 1.026 7.266 1.00 0.00 C ATOM 1176 OG SER A 76 6.071 2.327 7.084 1.00 0.00 O ATOM 0 H SER A 76 5.999 0.504 4.813 1.00 0.00 H new ATOM 0 HA SER A 76 3.790 -0.053 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.084 0.953 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.318 0.285 7.213 1.00 0.00 H new ATOM 0 HG SER A 76 6.317 2.703 7.955 1.00 0.00 H new ATOM 1182 N GLU A 77 3.039 2.523 6.917 1.00 0.00 N ATOM 1183 CA GLU A 77 2.232 3.720 6.748 1.00 0.00 C ATOM 1184 C GLU A 77 3.131 4.942 6.552 1.00 0.00 C ATOM 1185 O GLU A 77 2.768 5.876 5.837 1.00 0.00 O ATOM 1186 CB GLU A 77 1.289 3.917 7.936 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.098 4.362 7.467 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.252 5.881 7.575 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.385 6.358 8.722 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.232 6.530 6.507 1.00 0.00 O ATOM 0 H GLU A 77 3.093 2.177 7.875 1.00 0.00 H new ATOM 0 HA GLU A 77 1.618 3.599 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.206 2.986 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.704 4.662 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.254 4.049 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.864 3.872 8.068 1.00 0.00 H new ATOM 1197 N ASP A 78 4.286 4.898 7.199 1.00 0.00 N ATOM 1198 CA ASP A 78 5.240 5.990 7.105 1.00 0.00 C ATOM 1199 C ASP A 78 5.470 6.335 5.633 1.00 0.00 C ATOM 1200 O ASP A 78 5.830 7.465 5.305 1.00 0.00 O ATOM 1201 CB ASP A 78 6.587 5.599 7.715 1.00 0.00 C ATOM 1202 CG ASP A 78 6.522 5.096 9.159 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.985 5.850 9.999 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.010 3.969 9.389 1.00 0.00 O ATOM 0 H ASP A 78 4.583 4.122 7.791 1.00 0.00 H new ATOM 0 HA ASP A 78 4.832 6.842 7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.038 4.823 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.251 6.463 7.677 1.00 0.00 H new ATOM 1209 N PHE A 79 5.253 5.341 4.784 1.00 0.00 N ATOM 1210 CA PHE A 79 5.432 5.525 3.354 1.00 0.00 C ATOM 1211 C PHE A 79 4.567 6.676 2.837 1.00 0.00 C ATOM 1212 O PHE A 79 5.034 7.507 2.059 1.00 0.00 O ATOM 1213 CB PHE A 79 4.990 4.226 2.677 1.00 0.00 C ATOM 1214 CG PHE A 79 4.672 4.378 1.188 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.682 4.430 0.279 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.379 4.460 0.774 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.386 4.571 -1.103 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.084 4.600 -0.608 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.094 4.653 -1.517 1.00 0.00 C ATOM 0 H PHE A 79 4.955 4.405 5.059 1.00 0.00 H new ATOM 0 HA PHE A 79 6.473 5.763 3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.776 3.480 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.107 3.843 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.709 4.364 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.577 4.419 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.188 4.613 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.057 4.664 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.870 4.760 -2.568 1.00 0.00 H new ATOM 1229 N LEU A 80 3.322 6.688 3.289 1.00 0.00 N ATOM 1230 CA LEU A 80 2.388 7.724 2.882 1.00 0.00 C ATOM 1231 C LEU A 80 2.875 9.078 3.403 1.00 0.00 C ATOM 1232 O LEU A 80 2.758 10.090 2.714 1.00 0.00 O ATOM 1233 CB LEU A 80 0.967 7.369 3.326 1.00 0.00 C ATOM 1234 CG LEU A 80 0.293 6.225 2.566 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.862 5.634 3.376 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.156 6.680 1.176 1.00 0.00 C ATOM 0 H LEU A 80 2.938 5.997 3.933 1.00 0.00 H new ATOM 0 HA LEU A 80 2.349 7.796 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.992 7.110 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.345 8.259 3.230 1.00 0.00 H new ATOM 0 HG LEU A 80 1.026 5.431 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.324 4.823 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.483 5.249 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.604 6.409 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.632 5.848 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.866 7.501 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.710 7.016 0.606 1.00 0.00 H new ATOM 1248 N GLN A 81 3.410 9.052 4.615 1.00 0.00 N ATOM 1249 CA GLN A 81 3.915 10.264 5.236 1.00 0.00 C ATOM 1250 C GLN A 81 5.182 10.739 4.521 1.00 0.00 C ATOM 1251 O GLN A 81 5.545 11.911 4.606 1.00 0.00 O ATOM 1252 CB GLN A 81 4.176 10.048 6.728 1.00 0.00 C ATOM 1253 CG GLN A 81 5.007 11.193 7.310 1.00 0.00 C ATOM 1254 CD GLN A 81 4.189 12.484 7.379 1.00 0.00 C ATOM 1255 OE1 GLN A 81 3.502 12.763 8.348 1.00 0.00 O ATOM 1256 NE2 GLN A 81 4.301 13.254 6.300 1.00 0.00 N ATOM 0 H GLN A 81 3.505 8.210 5.183 1.00 0.00 H new ATOM 0 HA GLN A 81 3.156 11.040 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.227 9.975 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.698 9.103 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.354 10.925 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.893 11.352 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.894 12.961 5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.794 14.138 6.249 1.00 0.00 H new ATOM 1265 N ASP A 82 5.820 9.804 3.832 1.00 0.00 N ATOM 1266 CA ASP A 82 7.038 10.112 3.103 1.00 0.00 C ATOM 1267 C ASP A 82 6.685 10.474 1.658 1.00 0.00 C ATOM 1268 O ASP A 82 7.053 11.544 1.175 1.00 0.00 O ATOM 1269 CB ASP A 82 7.981 8.908 3.071 1.00 0.00 C ATOM 1270 CG ASP A 82 9.161 8.985 4.041 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.891 9.119 5.254 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.307 8.908 3.548 1.00 0.00 O ATOM 0 H ASP A 82 5.516 8.833 3.763 1.00 0.00 H new ATOM 0 HA ASP A 82 7.531 10.943 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.406 8.009 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.369 8.796 2.059 1.00 0.00 H new ATOM 1277 N VAL A 83 5.976 9.562 1.010 1.00 0.00 N ATOM 1278 CA VAL A 83 5.569 9.772 -0.369 1.00 0.00 C ATOM 1279 C VAL A 83 5.051 11.202 -0.531 1.00 0.00 C ATOM 1280 O VAL A 83 5.177 11.795 -1.602 1.00 0.00 O ATOM 1281 CB VAL A 83 4.543 8.714 -0.779 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.116 9.220 -0.559 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.753 8.279 -2.231 1.00 0.00 C ATOM 0 H VAL A 83 5.673 8.676 1.414 1.00 0.00 H new ATOM 0 HA VAL A 83 6.420 9.657 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 83 4.691 7.841 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.406 8.449 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.972 9.456 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.952 10.116 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.010 7.527 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.646 9.142 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.752 7.858 -2.344 1.00 0.00 H new ATOM 1293 N SER A 84 4.477 11.716 0.547 1.00 0.00 N ATOM 1294 CA SER A 84 3.939 13.065 0.538 1.00 0.00 C ATOM 1295 C SER A 84 5.025 14.065 0.942 1.00 0.00 C ATOM 1296 O SER A 84 5.069 15.181 0.426 1.00 0.00 O ATOM 1297 CB SER A 84 2.734 13.184 1.473 1.00 0.00 C ATOM 1298 OG SER A 84 1.592 13.716 0.807 1.00 0.00 O ATOM 0 H SER A 84 4.373 11.222 1.433 1.00 0.00 H new ATOM 0 HA SER A 84 3.603 13.292 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.492 12.202 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.992 13.823 2.317 1.00 0.00 H new ATOM 0 HG SER A 84 0.844 13.775 1.437 1.00 0.00 H new ATOM 1304 N ALA A 85 5.874 13.628 1.860 1.00 0.00 N ATOM 1305 CA ALA A 85 6.957 14.470 2.339 1.00 0.00 C ATOM 1306 C ALA A 85 8.289 13.750 2.128 1.00 0.00 C ATOM 1307 O ALA A 85 9.003 13.462 3.088 1.00 0.00 O ATOM 1308 CB ALA A 85 6.714 14.829 3.807 1.00 0.00 C ATOM 0 H ALA A 85 5.834 12.702 2.285 1.00 0.00 H new ATOM 0 HA ALA A 85 6.995 15.403 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.526 15.461 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.770 15.365 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.673 13.917 4.403 1.00 0.00 H new ATOM 1314 N SER A 86 8.585 13.478 0.866 1.00 0.00 N ATOM 1315 CA SER A 86 9.820 12.796 0.516 1.00 0.00 C ATOM 1316 C SER A 86 10.044 12.861 -0.996 1.00 0.00 C ATOM 1317 O SER A 86 9.177 12.463 -1.773 1.00 0.00 O ATOM 1318 CB SER A 86 9.798 11.341 0.988 1.00 0.00 C ATOM 1319 OG SER A 86 11.108 10.842 1.242 1.00 0.00 O ATOM 0 H SER A 86 7.991 13.718 0.072 1.00 0.00 H new ATOM 0 HA SER A 86 10.644 13.301 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.198 11.263 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.315 10.722 0.232 1.00 0.00 H new ATOM 0 HG SER A 86 11.073 10.188 1.971 1.00 0.00 H new ATOM 1325 N THR A 87 11.211 13.365 -1.368 1.00 0.00 N ATOM 1326 CA THR A 87 11.559 13.487 -2.774 1.00 0.00 C ATOM 1327 C THR A 87 12.354 12.263 -3.234 1.00 0.00 C ATOM 1328 O THR A 87 13.312 12.391 -3.995 1.00 0.00 O ATOM 1329 CB THR A 87 12.312 14.806 -2.961 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.619 14.534 -2.462 1.00 0.00 O ATOM 1331 CG2 THR A 87 11.787 15.915 -2.047 1.00 0.00 C ATOM 0 H THR A 87 11.928 13.694 -0.721 1.00 0.00 H new ATOM 0 HA THR A 87 10.668 13.512 -3.402 1.00 0.00 H new ATOM 0 HB THR A 87 12.232 15.125 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.090 13.941 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.356 16.829 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.734 16.096 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.897 15.611 -1.006 1.00 0.00 H new ATOM 1339 N LYS A 88 11.926 11.105 -2.753 1.00 0.00 N ATOM 1340 CA LYS A 88 12.586 9.859 -3.106 1.00 0.00 C ATOM 1341 C LYS A 88 11.725 9.100 -4.118 1.00 0.00 C ATOM 1342 O LYS A 88 10.511 9.291 -4.172 1.00 0.00 O ATOM 1343 CB LYS A 88 12.913 9.051 -1.849 1.00 0.00 C ATOM 1344 CG LYS A 88 13.867 9.822 -0.934 1.00 0.00 C ATOM 1345 CD LYS A 88 15.087 8.973 -0.574 1.00 0.00 C ATOM 1346 CE LYS A 88 16.089 8.933 -1.729 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.443 9.296 -1.254 1.00 0.00 N ATOM 0 H LYS A 88 11.131 11.003 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 88 13.544 10.058 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.993 8.821 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.364 8.099 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.190 10.738 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.344 10.118 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.568 9.380 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.769 7.960 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.107 7.936 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.776 9.622 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.111 9.264 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.425 10.257 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.746 8.623 -0.521 1.00 0.00 H new ATOM 1361 N SER A 89 12.387 8.255 -4.894 1.00 0.00 N ATOM 1362 CA SER A 89 11.697 7.466 -5.901 1.00 0.00 C ATOM 1363 C SER A 89 10.869 6.369 -5.230 1.00 0.00 C ATOM 1364 O SER A 89 11.303 5.773 -4.246 1.00 0.00 O ATOM 1365 CB SER A 89 12.687 6.852 -6.893 1.00 0.00 C ATOM 1366 OG SER A 89 13.596 7.820 -7.409 1.00 0.00 O ATOM 0 H SER A 89 13.394 8.099 -4.846 1.00 0.00 H new ATOM 0 HA SER A 89 11.031 8.127 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.246 6.056 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.138 6.395 -7.716 1.00 0.00 H new ATOM 0 HG SER A 89 14.212 7.388 -8.037 1.00 0.00 H new ATOM 1372 N LEU A 90 9.691 6.136 -5.789 1.00 0.00 N ATOM 1373 CA LEU A 90 8.797 5.121 -5.257 1.00 0.00 C ATOM 1374 C LEU A 90 9.600 3.859 -4.935 1.00 0.00 C ATOM 1375 O LEU A 90 9.644 3.423 -3.786 1.00 0.00 O ATOM 1376 CB LEU A 90 7.629 4.880 -6.215 1.00 0.00 C ATOM 1377 CG LEU A 90 6.417 5.796 -6.039 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.943 5.805 -4.584 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.715 7.206 -6.553 1.00 0.00 C ATOM 0 H LEU A 90 9.334 6.633 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 90 8.348 5.460 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.995 4.987 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.299 3.848 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 90 5.600 5.400 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.080 6.464 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.663 4.794 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.747 6.163 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.837 7.836 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.553 7.626 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.968 7.161 -7.612 1.00 0.00 H new ATOM 1391 N GLN A 91 10.216 3.308 -5.971 1.00 0.00 N ATOM 1392 CA GLN A 91 11.015 2.105 -5.813 1.00 0.00 C ATOM 1393 C GLN A 91 11.838 2.179 -4.526 1.00 0.00 C ATOM 1394 O GLN A 91 11.842 1.239 -3.732 1.00 0.00 O ATOM 1395 CB GLN A 91 11.918 1.883 -7.029 1.00 0.00 C ATOM 1396 CG GLN A 91 11.362 0.779 -7.930 1.00 0.00 C ATOM 1397 CD GLN A 91 10.184 1.291 -8.762 1.00 0.00 C ATOM 1398 OE1 GLN A 91 10.262 2.306 -9.436 1.00 0.00 O ATOM 1399 NE2 GLN A 91 9.093 0.535 -8.678 1.00 0.00 N ATOM 0 H GLN A 91 10.178 3.673 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 91 10.341 1.252 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.006 2.810 -7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.921 1.616 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.148 0.414 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.041 -0.066 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.096 -0.302 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.253 0.792 -9.197 1.00 0.00 H new ATOM 1408 N GLU A 92 12.515 3.306 -4.357 1.00 0.00 N ATOM 1409 CA GLU A 92 13.339 3.515 -3.180 1.00 0.00 C ATOM 1410 C GLU A 92 12.464 3.604 -1.928 1.00 0.00 C ATOM 1411 O GLU A 92 12.687 2.883 -0.957 1.00 0.00 O ATOM 1412 CB GLU A 92 14.206 4.766 -3.332 1.00 0.00 C ATOM 1413 CG GLU A 92 15.218 4.597 -4.468 1.00 0.00 C ATOM 1414 CD GLU A 92 16.622 4.338 -3.917 1.00 0.00 C ATOM 1415 OE1 GLU A 92 17.129 5.236 -3.210 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.157 3.248 -4.215 1.00 0.00 O ATOM 0 H GLU A 92 12.509 4.084 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 92 14.007 2.661 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.572 5.630 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.732 4.964 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.916 3.768 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.226 5.493 -5.089 1.00 0.00 H new ATOM 1423 N LEU A 93 11.486 4.496 -1.991 1.00 0.00 N ATOM 1424 CA LEU A 93 10.576 4.689 -0.875 1.00 0.00 C ATOM 1425 C LEU A 93 10.086 3.327 -0.380 1.00 0.00 C ATOM 1426 O LEU A 93 10.123 3.047 0.817 1.00 0.00 O ATOM 1427 CB LEU A 93 9.446 5.645 -1.263 1.00 0.00 C ATOM 1428 CG LEU A 93 9.787 7.136 -1.227 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.582 7.984 -1.640 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.331 7.541 0.144 1.00 0.00 C ATOM 0 H LEU A 93 11.304 5.093 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 93 11.092 5.165 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.113 5.393 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.603 5.469 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 93 10.577 7.324 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.851 9.040 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.281 7.719 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.755 7.798 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.565 8.605 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.581 7.336 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.235 6.971 0.360 1.00 0.00 H new ATOM 1442 N PHE A 94 9.638 2.515 -1.327 1.00 0.00 N ATOM 1443 CA PHE A 94 9.142 1.189 -1.003 1.00 0.00 C ATOM 1444 C PHE A 94 10.178 0.395 -0.205 1.00 0.00 C ATOM 1445 O PHE A 94 9.877 -0.119 0.871 1.00 0.00 O ATOM 1446 CB PHE A 94 8.880 0.473 -2.330 1.00 0.00 C ATOM 1447 CG PHE A 94 7.830 1.155 -3.209 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.849 1.905 -2.639 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.879 1.013 -4.561 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.874 2.538 -3.455 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.904 1.647 -5.377 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.923 2.396 -4.806 1.00 0.00 C ATOM 0 H PHE A 94 9.608 2.751 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 94 8.239 1.268 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.815 0.406 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.558 -0.548 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.811 2.019 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.659 0.419 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.094 3.132 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.942 1.534 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.182 2.878 -5.426 1.00 0.00 H new ATOM 1462 N LEU A 95 11.377 0.321 -0.762 1.00 0.00 N ATOM 1463 CA LEU A 95 12.460 -0.401 -0.116 1.00 0.00 C ATOM 1464 C LEU A 95 12.838 0.312 1.184 1.00 0.00 C ATOM 1465 O LEU A 95 13.328 -0.316 2.121 1.00 0.00 O ATOM 1466 CB LEU A 95 13.633 -0.585 -1.081 1.00 0.00 C ATOM 1467 CG LEU A 95 13.580 -1.829 -1.971 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.123 -1.525 -3.369 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.310 -3.003 -1.316 1.00 0.00 C ATOM 0 H LEU A 95 11.623 0.749 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 95 12.139 -1.407 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.691 0.294 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.554 -0.617 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 95 12.537 -2.123 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.074 -2.425 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.523 -0.740 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.159 -1.193 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.257 -3.874 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.354 -2.736 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.840 -3.237 -0.361 1.00 0.00 H new ATOM 1481 N ALA A 96 12.597 1.615 1.198 1.00 0.00 N ATOM 1482 CA ALA A 96 12.907 2.420 2.367 1.00 0.00 C ATOM 1483 C ALA A 96 11.835 2.194 3.435 1.00 0.00 C ATOM 1484 O ALA A 96 11.986 2.634 4.574 1.00 0.00 O ATOM 1485 CB ALA A 96 13.021 3.890 1.958 1.00 0.00 C ATOM 0 H ALA A 96 12.191 2.133 0.419 1.00 0.00 H new ATOM 0 HA ALA A 96 13.865 2.124 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.254 4.495 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.815 4.002 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.076 4.222 1.528 1.00 0.00 H new ATOM 1491 N HIS A 97 10.776 1.509 3.030 1.00 0.00 N ATOM 1492 CA HIS A 97 9.680 1.219 3.938 1.00 0.00 C ATOM 1493 C HIS A 97 9.022 -0.105 3.543 1.00 0.00 C ATOM 1494 O HIS A 97 7.800 -0.234 3.593 1.00 0.00 O ATOM 1495 CB HIS A 97 8.689 2.383 3.982 1.00 0.00 C ATOM 1496 CG HIS A 97 9.313 3.708 4.350 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.646 4.044 5.651 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.663 4.775 3.575 1.00 0.00 C ATOM 1499 CE1 HIS A 97 10.170 5.261 5.647 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.179 5.712 4.360 1.00 0.00 N ATOM 0 H HIS A 97 10.654 1.146 2.085 1.00 0.00 H new ATOM 0 HA HIS A 97 10.064 1.106 4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.211 2.477 3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.903 2.151 4.701 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.541 4.845 2.504 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.527 5.801 6.511 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.525 6.620 4.052 1.00 0.00 H new ATOM 1508 N ILE A 98 9.862 -1.054 3.158 1.00 0.00 N ATOM 1509 CA ILE A 98 9.378 -2.363 2.754 1.00 0.00 C ATOM 1510 C ILE A 98 9.207 -3.244 3.994 1.00 0.00 C ATOM 1511 O ILE A 98 10.163 -3.474 4.733 1.00 0.00 O ATOM 1512 CB ILE A 98 10.296 -2.970 1.691 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.639 -4.180 1.025 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.666 -3.313 2.280 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.293 -3.882 -0.435 1.00 0.00 C ATOM 0 H ILE A 98 10.875 -0.943 3.117 1.00 0.00 H new ATOM 0 HA ILE A 98 8.398 -2.278 2.285 1.00 0.00 H new ATOM 0 HB ILE A 98 10.458 -2.223 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.311 -5.037 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.734 -4.452 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.299 -3.743 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.132 -2.407 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.544 -4.034 3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.827 -4.759 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.602 -3.040 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.203 -3.634 -0.981 1.00 0.00 H new ATOM 1527 N LEU A 99 7.983 -3.712 4.183 1.00 0.00 N ATOM 1528 CA LEU A 99 7.674 -4.562 5.321 1.00 0.00 C ATOM 1529 C LEU A 99 7.757 -6.029 4.893 1.00 0.00 C ATOM 1530 O LEU A 99 8.028 -6.904 5.713 1.00 0.00 O ATOM 1531 CB LEU A 99 6.325 -4.174 5.930 1.00 0.00 C ATOM 1532 CG LEU A 99 6.244 -2.774 6.542 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.836 -2.487 7.068 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.309 -2.586 7.624 1.00 0.00 C ATOM 0 H LEU A 99 7.193 -3.519 3.568 1.00 0.00 H new ATOM 0 HA LEU A 99 8.408 -4.418 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.562 -4.255 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.074 -4.902 6.702 1.00 0.00 H new ATOM 0 HG LEU A 99 6.450 -2.046 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.805 -1.486 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.121 -2.552 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.577 -3.219 7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.229 -1.583 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.159 -3.322 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.299 -2.719 7.187 1.00 0.00 H new ATOM 1546 N SER A 100 7.517 -6.252 3.609 1.00 0.00 N ATOM 1547 CA SER A 100 7.561 -7.598 3.063 1.00 0.00 C ATOM 1548 C SER A 100 8.885 -7.822 2.330 1.00 0.00 C ATOM 1549 O SER A 100 9.626 -6.874 2.076 1.00 0.00 O ATOM 1550 CB SER A 100 6.383 -7.847 2.118 1.00 0.00 C ATOM 1551 OG SER A 100 6.482 -7.075 0.925 1.00 0.00 O ATOM 0 H SER A 100 7.292 -5.524 2.931 1.00 0.00 H new ATOM 0 HA SER A 100 7.486 -8.305 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.341 -8.906 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.451 -7.606 2.629 1.00 0.00 H new ATOM 0 HG SER A 100 7.087 -7.521 0.296 1.00 0.00 H new ATOM 1557 N SER A 101 9.142 -9.082 2.011 1.00 0.00 N ATOM 1558 CA SER A 101 10.364 -9.443 1.312 1.00 0.00 C ATOM 1559 C SER A 101 10.073 -9.657 -0.175 1.00 0.00 C ATOM 1560 O SER A 101 10.993 -9.708 -0.990 1.00 0.00 O ATOM 1561 CB SER A 101 10.992 -10.701 1.916 1.00 0.00 C ATOM 1562 OG SER A 101 12.364 -10.505 2.248 1.00 0.00 O ATOM 0 H SER A 101 8.525 -9.866 2.224 1.00 0.00 H new ATOM 0 HA SER A 101 11.076 -8.625 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.440 -10.988 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.904 -11.526 1.209 1.00 0.00 H new ATOM 0 HG SER A 101 12.729 -11.330 2.632 1.00 0.00 H new ATOM 1568 N TRP A 102 8.790 -9.776 -0.483 1.00 0.00 N ATOM 1569 CA TRP A 102 8.366 -9.982 -1.857 1.00 0.00 C ATOM 1570 C TRP A 102 7.910 -8.635 -2.419 1.00 0.00 C ATOM 1571 O TRP A 102 8.196 -7.588 -1.841 1.00 0.00 O ATOM 1572 CB TRP A 102 7.286 -11.062 -1.942 1.00 0.00 C ATOM 1573 CG TRP A 102 5.903 -10.597 -1.480 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.948 -10.003 -2.208 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.357 -10.712 -0.150 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.830 -9.728 -1.446 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.087 -10.173 -0.155 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.918 -11.255 1.020 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.271 -10.123 0.981 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.089 -11.197 2.147 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.808 -10.658 2.158 1.00 0.00 C ATOM 0 H TRP A 102 8.030 -9.734 0.196 1.00 0.00 H new ATOM 0 HA TRP A 102 9.193 -10.350 -2.464 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.215 -11.410 -2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.592 -11.916 -1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.041 -9.769 -3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.973 -9.280 -1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.909 -11.683 1.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.280 -9.695 0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.472 -11.600 3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.230 -10.652 3.070 1.00 0.00 H new ATOM 1592 N GLY A 103 7.206 -8.705 -3.540 1.00 0.00 N ATOM 1593 CA GLY A 103 6.707 -7.503 -4.187 1.00 0.00 C ATOM 1594 C GLY A 103 7.695 -6.995 -5.239 1.00 0.00 C ATOM 1595 O GLY A 103 8.234 -5.897 -5.111 1.00 0.00 O ATOM 0 H GLY A 103 6.969 -9.575 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.746 -7.711 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.536 -6.728 -3.440 1.00 0.00 H new ATOM 1599 N ALA A 104 7.903 -7.819 -6.255 1.00 0.00 N ATOM 1600 CA ALA A 104 8.817 -7.468 -7.329 1.00 0.00 C ATOM 1601 C ALA A 104 8.186 -7.840 -8.672 1.00 0.00 C ATOM 1602 O ALA A 104 7.031 -8.259 -8.724 1.00 0.00 O ATOM 1603 CB ALA A 104 10.161 -8.163 -7.104 1.00 0.00 C ATOM 0 H ALA A 104 7.454 -8.729 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 104 9.003 -6.394 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.846 -7.900 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.581 -7.842 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.014 -9.243 -7.091 1.00 0.00 H new ATOM 1609 N GLU A 105 8.972 -7.673 -9.725 1.00 0.00 N ATOM 1610 CA GLU A 105 8.505 -7.986 -11.065 1.00 0.00 C ATOM 1611 C GLU A 105 7.896 -9.389 -11.101 1.00 0.00 C ATOM 1612 O GLU A 105 8.584 -10.375 -10.840 1.00 0.00 O ATOM 1613 CB GLU A 105 9.637 -7.853 -12.086 1.00 0.00 C ATOM 1614 CG GLU A 105 9.984 -6.383 -12.331 1.00 0.00 C ATOM 1615 CD GLU A 105 11.474 -6.216 -12.639 1.00 0.00 C ATOM 1616 OE1 GLU A 105 11.923 -6.841 -13.624 1.00 0.00 O ATOM 1617 OE2 GLU A 105 12.129 -5.468 -11.882 1.00 0.00 O ATOM 0 H GLU A 105 9.930 -7.325 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 105 7.731 -7.268 -11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.519 -8.384 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.342 -8.322 -13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.392 -5.999 -13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.722 -5.792 -11.453 1.00 0.00 H new ATOM 1624 N VAL A 106 6.612 -9.434 -11.426 1.00 0.00 N ATOM 1625 CA VAL A 106 5.903 -10.700 -11.499 1.00 0.00 C ATOM 1626 C VAL A 106 4.648 -10.528 -12.357 1.00 0.00 C ATOM 1627 O VAL A 106 4.155 -9.414 -12.525 1.00 0.00 O ATOM 1628 CB VAL A 106 5.597 -11.211 -10.089 1.00 0.00 C ATOM 1629 CG1 VAL A 106 4.405 -12.169 -10.100 1.00 0.00 C ATOM 1630 CG2 VAL A 106 6.828 -11.874 -9.467 1.00 0.00 C ATOM 0 H VAL A 106 6.045 -8.614 -11.642 1.00 0.00 H new ATOM 0 HA VAL A 106 6.523 -11.458 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 106 5.331 -10.353 -9.472 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.209 -12.517 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.525 -11.651 -10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.630 -13.022 -10.740 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.584 -12.228 -8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.138 -12.717 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.640 -11.150 -9.407 1.00 0.00 H new ATOM 1640 N LYS A 107 4.168 -11.648 -12.878 1.00 0.00 N ATOM 1641 CA LYS A 107 2.980 -11.635 -13.714 1.00 0.00 C ATOM 1642 C LYS A 107 1.952 -10.672 -13.119 1.00 0.00 C ATOM 1643 O LYS A 107 1.303 -10.989 -12.123 1.00 0.00 O ATOM 1644 CB LYS A 107 2.449 -13.056 -13.912 1.00 0.00 C ATOM 1645 CG LYS A 107 2.396 -13.420 -15.397 1.00 0.00 C ATOM 1646 CD LYS A 107 1.317 -12.613 -16.122 1.00 0.00 C ATOM 1647 CE LYS A 107 0.412 -13.527 -16.950 1.00 0.00 C ATOM 1648 NZ LYS A 107 -0.962 -13.533 -16.398 1.00 0.00 N ATOM 0 H LYS A 107 4.580 -12.570 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 107 3.221 -11.267 -14.711 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.088 -13.764 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.453 -13.139 -13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.366 -13.231 -15.856 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.194 -14.485 -15.507 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.718 -12.064 -15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.786 -11.874 -16.772 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.393 -13.188 -17.986 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.814 -14.540 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.564 -14.158 -16.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.940 -13.877 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.348 -12.568 -16.417 1.00 0.00 H new ATOM 1662 N SER A 108 1.836 -9.514 -13.753 1.00 0.00 N ATOM 1663 CA SER A 108 0.898 -8.502 -13.298 1.00 0.00 C ATOM 1664 C SER A 108 -0.162 -8.251 -14.372 1.00 0.00 C ATOM 1665 O SER A 108 -0.072 -8.787 -15.475 1.00 0.00 O ATOM 1666 CB SER A 108 1.620 -7.199 -12.949 1.00 0.00 C ATOM 1667 OG SER A 108 1.699 -6.993 -11.541 1.00 0.00 O ATOM 0 H SER A 108 2.376 -9.254 -14.578 1.00 0.00 H new ATOM 0 HA SER A 108 0.411 -8.868 -12.394 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.625 -7.218 -13.370 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.097 -6.360 -13.409 1.00 0.00 H new ATOM 0 HG SER A 108 2.168 -6.152 -11.359 1.00 0.00 H new ATOM 1673 N GLY A 109 -1.142 -7.435 -14.011 1.00 0.00 N ATOM 1674 CA GLY A 109 -2.218 -7.106 -14.931 1.00 0.00 C ATOM 1675 C GLY A 109 -1.895 -5.836 -15.721 1.00 0.00 C ATOM 1676 O GLY A 109 -0.736 -5.575 -16.037 1.00 0.00 O ATOM 0 H GLY A 109 -1.213 -6.992 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.379 -7.936 -15.619 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.146 -6.967 -14.376 1.00 0.00 H new ATOM 1680 N PRO A 110 -2.970 -5.060 -16.024 1.00 0.00 N ATOM 1681 CA PRO A 110 -2.813 -3.823 -16.771 1.00 0.00 C ATOM 1682 C PRO A 110 -2.222 -2.721 -15.889 1.00 0.00 C ATOM 1683 O PRO A 110 -1.919 -2.953 -14.720 1.00 0.00 O ATOM 1684 CB PRO A 110 -4.205 -3.492 -17.282 1.00 0.00 C ATOM 1685 CG PRO A 110 -5.167 -4.295 -16.421 1.00 0.00 C ATOM 1686 CD PRO A 110 -4.358 -5.337 -15.666 1.00 0.00 C ATOM 0 HA PRO A 110 -2.112 -3.919 -17.600 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.407 -2.424 -17.201 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.308 -3.757 -18.334 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.692 -3.642 -15.725 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.924 -4.775 -17.041 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.513 -5.256 -14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.647 -6.348 -15.954 1.00 0.00 H new ATOM 1694 N SER A 111 -2.076 -1.546 -16.484 1.00 0.00 N ATOM 1695 CA SER A 111 -1.527 -0.408 -15.767 1.00 0.00 C ATOM 1696 C SER A 111 -0.057 -0.663 -15.428 1.00 0.00 C ATOM 1697 O SER A 111 0.294 -1.736 -14.941 1.00 0.00 O ATOM 1698 CB SER A 111 -2.324 -0.123 -14.493 1.00 0.00 C ATOM 1699 OG SER A 111 -2.543 1.272 -14.301 1.00 0.00 O ATOM 0 H SER A 111 -2.328 -1.358 -17.454 1.00 0.00 H new ATOM 0 HA SER A 111 -1.598 0.469 -16.411 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.284 -0.637 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.790 -0.528 -13.633 1.00 0.00 H new ATOM 0 HG SER A 111 -3.057 1.412 -13.478 1.00 0.00 H new ATOM 1705 N SER A 112 0.763 0.343 -15.698 1.00 0.00 N ATOM 1706 CA SER A 112 2.187 0.241 -15.428 1.00 0.00 C ATOM 1707 C SER A 112 2.765 1.628 -15.140 1.00 0.00 C ATOM 1708 O SER A 112 2.130 2.641 -15.428 1.00 0.00 O ATOM 1709 CB SER A 112 2.925 -0.410 -16.599 1.00 0.00 C ATOM 1710 OG SER A 112 3.115 0.498 -17.681 1.00 0.00 O ATOM 0 H SER A 112 0.468 1.232 -16.101 1.00 0.00 H new ATOM 0 HA SER A 112 2.325 -0.392 -14.551 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.894 -0.776 -16.259 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.361 -1.276 -16.947 1.00 0.00 H new ATOM 0 HG SER A 112 3.591 0.045 -18.408 1.00 0.00 H new ATOM 1716 N GLY A 113 3.963 1.629 -14.575 1.00 0.00 N ATOM 1717 CA GLY A 113 4.635 2.874 -14.245 1.00 0.00 C ATOM 1718 C GLY A 113 6.150 2.740 -14.406 1.00 0.00 C ATOM 1719 O GLY A 113 6.702 1.654 -14.233 1.00 0.00 O ATOM 0 H GLY A 113 4.486 0.786 -14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.267 3.672 -14.890 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.399 3.158 -13.220 1.00 0.00 H new TER 1723 GLY A 113