USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 67 THR OG1 : rot 130:sc= -0.0349 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= -1.25 USER MOD Set 1.3: A 71 THR OG1 : rot 180:sc= -0.327 USER MOD Set 2.1: A 39 GLN : amide:sc= 0.65 K(o=1.4,f=-3.3!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 144:sc= 0.727 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 4 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.66) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.288 K(o=-0.29,f=-0.85) USER MOD Single : A 6 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=-0.19) USER MOD Single : A 7 HIS : no HE2:sc= -0.254 X(o=-0.25,f=-0.68) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.0533 F(o=-0.57,f=-0.053) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0105 K(o=-0.01,f=-1.4) USER MOD Single : A 22 GLN : amide:sc= -0.0198 X(o=-0.02,f=0.16) USER MOD Single : A 26 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.844 USER MOD Single : A 33 SER OG : rot 180:sc= -0.117 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc=-0.00433 (180deg=-0.0869) USER MOD Single : A 44 CYS SG : rot 120:sc= -2.27 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0475) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.896 F(o=-2.3!,f=-0.9) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 179:sc= -1.82 (180deg=-1.82) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.0292 (180deg=-0.189) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 0.436 (180deg=0.26) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.445 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.215 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.348 -15.989 15.428 1.00 0.00 N ATOM 2 CA MET A 1 -11.363 -15.040 15.995 1.00 0.00 C ATOM 3 C MET A 1 -11.815 -13.601 15.700 1.00 0.00 C ATOM 4 O MET A 1 -11.966 -13.225 14.532 1.00 0.00 O ATOM 5 CB MET A 1 -9.951 -15.283 15.396 1.00 0.00 C ATOM 6 CG MET A 1 -8.831 -14.478 16.075 1.00 0.00 C ATOM 7 SD MET A 1 -8.653 -14.909 17.825 1.00 0.00 S ATOM 8 CE MET A 1 -7.352 -13.797 18.356 1.00 0.00 C ATOM 0 H1 MET A 1 -12.045 -16.964 15.626 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.279 -15.822 15.859 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.413 -15.849 14.400 1.00 0.00 H new ATOM 0 HA MET A 1 -11.307 -15.196 17.072 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.715 -16.345 15.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.971 -15.033 14.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.889 -14.661 15.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.043 -13.413 15.983 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.145 -13.958 19.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.449 -13.990 17.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.669 -12.766 18.202 1.00 0.00 H new ATOM 20 N GLY A 2 -12.040 -12.816 16.765 1.00 0.00 N ATOM 21 CA GLY A 2 -12.413 -11.411 16.633 1.00 0.00 C ATOM 22 C GLY A 2 -11.228 -10.516 16.272 1.00 0.00 C ATOM 23 O GLY A 2 -10.081 -10.984 16.212 1.00 0.00 O ATOM 0 H GLY A 2 -11.968 -13.139 17.730 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.182 -11.314 15.867 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.851 -11.066 17.570 1.00 0.00 H new ATOM 27 N HIS A 3 -11.534 -9.224 16.042 1.00 0.00 N ATOM 28 CA HIS A 3 -10.556 -8.178 15.676 1.00 0.00 C ATOM 29 C HIS A 3 -9.901 -8.488 14.312 1.00 0.00 C ATOM 30 O HIS A 3 -10.374 -8.013 13.269 1.00 0.00 O ATOM 31 CB HIS A 3 -9.483 -7.951 16.799 1.00 0.00 C ATOM 32 CG HIS A 3 -10.007 -7.438 18.124 1.00 0.00 C ATOM 33 ND1 HIS A 3 -9.236 -6.680 18.987 1.00 0.00 N ATOM 34 CD2 HIS A 3 -11.204 -7.589 18.747 1.00 0.00 C ATOM 35 CE1 HIS A 3 -9.932 -6.391 20.065 1.00 0.00 C ATOM 36 NE2 HIS A 3 -11.125 -6.931 19.947 1.00 0.00 N ATOM 0 H HIS A 3 -12.488 -8.870 16.107 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.103 -7.241 15.578 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.966 -8.894 16.976 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.740 -7.245 16.427 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.060 -8.128 18.367 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.583 -5.809 20.905 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.873 -6.870 20.638 1.00 0.00 H new ATOM 45 N HIS A 4 -8.841 -9.317 14.317 1.00 0.00 N ATOM 46 CA HIS A 4 -8.143 -9.731 13.092 1.00 0.00 C ATOM 47 C HIS A 4 -8.779 -11.025 12.541 1.00 0.00 C ATOM 48 O HIS A 4 -8.197 -12.113 12.592 1.00 0.00 O ATOM 49 CB HIS A 4 -6.607 -9.863 13.325 1.00 0.00 C ATOM 50 CG HIS A 4 -6.175 -10.801 14.433 1.00 0.00 C ATOM 51 ND1 HIS A 4 -5.822 -12.114 14.211 1.00 0.00 N ATOM 52 CD2 HIS A 4 -5.982 -10.590 15.760 1.00 0.00 C ATOM 53 CE1 HIS A 4 -5.443 -12.664 15.342 1.00 0.00 C ATOM 54 NE2 HIS A 4 -5.524 -11.766 16.296 1.00 0.00 N ATOM 0 H HIS A 4 -8.447 -9.716 15.169 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.262 -8.956 12.335 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.147 -10.197 12.395 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.207 -8.872 13.540 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.157 -9.668 16.294 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.118 -13.686 15.467 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.285 -11.918 17.276 1.00 0.00 H new ATOM 63 N HIS A 5 -10.015 -10.870 12.031 1.00 0.00 N ATOM 64 CA HIS A 5 -10.790 -11.946 11.379 1.00 0.00 C ATOM 65 C HIS A 5 -10.391 -12.035 9.882 1.00 0.00 C ATOM 66 O HIS A 5 -11.227 -12.003 8.969 1.00 0.00 O ATOM 67 CB HIS A 5 -12.313 -11.702 11.570 1.00 0.00 C ATOM 68 CG HIS A 5 -12.826 -10.398 11.020 1.00 0.00 C ATOM 69 ND1 HIS A 5 -13.315 -10.257 9.741 1.00 0.00 N ATOM 70 CD2 HIS A 5 -12.937 -9.179 11.592 1.00 0.00 C ATOM 71 CE1 HIS A 5 -13.693 -9.015 9.550 1.00 0.00 C ATOM 72 NE2 HIS A 5 -13.479 -8.337 10.655 1.00 0.00 N ATOM 0 H HIS A 5 -10.512 -9.980 12.060 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.560 -12.905 11.843 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.858 -12.518 11.095 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.541 -11.744 12.635 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -13.374 -11.003 9.048 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.652 -8.916 12.600 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.110 -8.617 8.637 1.00 0.00 H new ATOM 81 N HIS A 6 -9.085 -12.191 9.660 1.00 0.00 N ATOM 82 CA HIS A 6 -8.449 -12.098 8.338 1.00 0.00 C ATOM 83 C HIS A 6 -8.849 -13.286 7.421 1.00 0.00 C ATOM 84 O HIS A 6 -9.034 -13.096 6.220 1.00 0.00 O ATOM 85 CB HIS A 6 -6.906 -12.013 8.518 1.00 0.00 C ATOM 86 CG HIS A 6 -6.236 -13.306 8.924 1.00 0.00 C ATOM 87 ND1 HIS A 6 -6.266 -13.804 10.204 1.00 0.00 N ATOM 88 CD2 HIS A 6 -5.530 -14.218 8.195 1.00 0.00 C ATOM 89 CE1 HIS A 6 -5.617 -14.952 10.244 1.00 0.00 C ATOM 90 NE2 HIS A 6 -5.166 -15.219 9.044 1.00 0.00 N ATOM 0 H HIS A 6 -8.422 -12.390 10.409 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.802 -11.194 7.842 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.465 -11.672 7.582 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.685 -11.255 9.270 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.302 -14.157 7.141 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.481 -15.569 11.120 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.627 -16.046 8.786 1.00 0.00 H new ATOM 99 N HIS A 7 -9.015 -14.482 8.043 1.00 0.00 N ATOM 100 CA HIS A 7 -9.319 -15.800 7.400 1.00 0.00 C ATOM 101 C HIS A 7 -8.397 -16.173 6.194 1.00 0.00 C ATOM 102 O HIS A 7 -7.656 -17.174 6.265 1.00 0.00 O ATOM 103 CB HIS A 7 -10.842 -16.001 7.092 1.00 0.00 C ATOM 104 CG HIS A 7 -11.536 -14.923 6.293 1.00 0.00 C ATOM 105 ND1 HIS A 7 -12.162 -13.851 6.888 1.00 0.00 N ATOM 106 CD2 HIS A 7 -11.756 -14.782 4.962 1.00 0.00 C ATOM 107 CE1 HIS A 7 -12.726 -13.103 5.968 1.00 0.00 C ATOM 108 NE2 HIS A 7 -12.500 -13.644 4.793 1.00 0.00 N ATOM 0 H HIS A 7 -8.938 -14.564 9.057 1.00 0.00 H new ATOM 0 HA HIS A 7 -9.064 -16.531 8.167 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.956 -16.944 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.367 -16.108 8.041 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -12.184 -13.666 7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.410 -15.443 4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.283 -12.195 6.148 1.00 0.00 H new ATOM 117 N HIS A 8 -8.491 -15.413 5.082 1.00 0.00 N ATOM 118 CA HIS A 8 -7.539 -15.438 3.938 1.00 0.00 C ATOM 119 C HIS A 8 -7.667 -16.689 3.021 1.00 0.00 C ATOM 120 O HIS A 8 -7.182 -16.668 1.891 1.00 0.00 O ATOM 121 CB HIS A 8 -6.071 -15.221 4.436 1.00 0.00 C ATOM 122 CG HIS A 8 -5.067 -15.061 3.339 1.00 0.00 C ATOM 123 ND1 HIS A 8 -4.945 -14.099 2.402 1.00 0.00 N flip ATOM 124 CD2 HIS A 8 -4.049 -15.957 3.091 1.00 0.00 C flip ATOM 125 CE1 HIS A 8 -3.877 -14.424 1.617 1.00 0.00 C flip ATOM 126 NE2 HIS A 8 -3.355 -15.546 2.051 1.00 0.00 N flip ATOM 0 H HIS A 8 -9.250 -14.745 4.946 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.818 -14.602 3.296 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.042 -14.336 5.071 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.781 -16.069 5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.852 -16.854 3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.520 -13.850 0.775 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.546 -16.021 1.650 1.00 0.00 H new ATOM 135 N SER A 9 -8.331 -17.755 3.484 1.00 0.00 N ATOM 136 CA SER A 9 -8.453 -19.014 2.717 1.00 0.00 C ATOM 137 C SER A 9 -9.698 -18.957 1.794 1.00 0.00 C ATOM 138 O SER A 9 -10.726 -19.598 2.063 1.00 0.00 O ATOM 139 CB SER A 9 -8.533 -20.203 3.703 1.00 0.00 C ATOM 140 OG SER A 9 -7.490 -20.143 4.669 1.00 0.00 O ATOM 0 H SER A 9 -8.797 -17.776 4.391 1.00 0.00 H new ATOM 0 HA SER A 9 -7.578 -19.149 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.499 -20.196 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.468 -21.141 3.152 1.00 0.00 H new ATOM 0 HG SER A 9 -7.566 -20.905 5.280 1.00 0.00 H new ATOM 146 N HIS A 10 -9.604 -18.146 0.730 1.00 0.00 N ATOM 147 CA HIS A 10 -10.692 -17.967 -0.264 1.00 0.00 C ATOM 148 C HIS A 10 -10.585 -19.047 -1.364 1.00 0.00 C ATOM 149 O HIS A 10 -10.137 -18.775 -2.489 1.00 0.00 O ATOM 150 CB HIS A 10 -10.644 -16.531 -0.864 1.00 0.00 C ATOM 151 CG HIS A 10 -10.986 -15.432 0.117 1.00 0.00 C ATOM 152 ND1 HIS A 10 -12.221 -14.821 0.158 1.00 0.00 N ATOM 153 CD2 HIS A 10 -10.251 -14.832 1.088 1.00 0.00 C ATOM 154 CE1 HIS A 10 -12.230 -13.910 1.107 1.00 0.00 C ATOM 155 NE2 HIS A 10 -11.046 -13.892 1.685 1.00 0.00 N ATOM 0 H HIS A 10 -8.773 -17.591 0.527 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.656 -18.086 0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.645 -16.349 -1.261 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.335 -16.479 -1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.226 -15.056 1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.068 -13.281 1.369 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.768 -13.279 2.451 1.00 0.00 H new ATOM 164 N MET A 11 -10.973 -20.285 -0.968 1.00 0.00 N ATOM 165 CA MET A 11 -10.937 -21.517 -1.793 1.00 0.00 C ATOM 166 C MET A 11 -9.486 -21.985 -2.036 1.00 0.00 C ATOM 167 O MET A 11 -9.066 -23.032 -1.522 1.00 0.00 O ATOM 168 CB MET A 11 -11.724 -21.368 -3.134 1.00 0.00 C ATOM 169 CG MET A 11 -13.191 -20.931 -2.971 1.00 0.00 C ATOM 170 SD MET A 11 -14.160 -22.084 -1.978 1.00 0.00 S ATOM 171 CE MET A 11 -15.777 -21.303 -1.995 1.00 0.00 C ATOM 0 H MET A 11 -11.333 -20.458 -0.030 1.00 0.00 H new ATOM 0 HA MET A 11 -11.449 -22.291 -1.222 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.210 -20.641 -3.763 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.699 -22.321 -3.662 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.222 -19.945 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.648 -20.835 -3.956 1.00 0.00 H new ATOM 0 HE1 MET A 11 -16.479 -21.907 -1.419 1.00 0.00 H new ATOM 0 HE2 MET A 11 -15.706 -20.309 -1.553 1.00 0.00 H new ATOM 0 HE3 MET A 11 -16.130 -21.219 -3.023 1.00 0.00 H new ATOM 181 N ALA A 12 -8.738 -21.197 -2.818 1.00 0.00 N ATOM 182 CA ALA A 12 -7.317 -21.441 -3.149 1.00 0.00 C ATOM 183 C ALA A 12 -6.712 -20.172 -3.779 1.00 0.00 C ATOM 184 O ALA A 12 -7.351 -19.111 -3.761 1.00 0.00 O ATOM 185 CB ALA A 12 -7.175 -22.654 -4.100 1.00 0.00 C ATOM 0 H ALA A 12 -9.107 -20.351 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.772 -21.676 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.122 -22.815 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.581 -23.543 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.722 -22.459 -5.022 1.00 0.00 H new ATOM 191 N ASP A 13 -5.462 -20.291 -4.283 1.00 0.00 N ATOM 192 CA ASP A 13 -4.785 -19.276 -5.133 1.00 0.00 C ATOM 193 C ASP A 13 -4.339 -18.007 -4.347 1.00 0.00 C ATOM 194 O ASP A 13 -5.052 -17.538 -3.451 1.00 0.00 O ATOM 195 CB ASP A 13 -5.650 -18.883 -6.369 1.00 0.00 C ATOM 196 CG ASP A 13 -5.820 -20.040 -7.374 1.00 0.00 C ATOM 197 OD1 ASP A 13 -6.793 -20.824 -7.245 1.00 0.00 O ATOM 198 OD2 ASP A 13 -4.989 -20.154 -8.300 1.00 0.00 O ATOM 0 H ASP A 13 -4.881 -21.111 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.875 -19.759 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.633 -18.556 -6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.189 -18.034 -6.874 1.00 0.00 H new ATOM 203 N PRO A 14 -3.129 -17.434 -4.675 1.00 0.00 N ATOM 204 CA PRO A 14 -2.634 -16.174 -4.074 1.00 0.00 C ATOM 205 C PRO A 14 -3.077 -14.909 -4.849 1.00 0.00 C ATOM 206 O PRO A 14 -2.491 -13.837 -4.670 1.00 0.00 O ATOM 207 CB PRO A 14 -1.112 -16.396 -4.129 1.00 0.00 C ATOM 208 CG PRO A 14 -0.890 -17.126 -5.420 1.00 0.00 C ATOM 209 CD PRO A 14 -2.115 -18.001 -5.620 1.00 0.00 C ATOM 0 HA PRO A 14 -3.025 -15.985 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.571 -15.450 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.764 -16.980 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.770 -16.427 -6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.017 -17.728 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.467 -17.964 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.900 -19.045 -5.394 1.00 0.00 H new ATOM 217 N GLY A 15 -4.097 -15.068 -5.724 1.00 0.00 N ATOM 218 CA GLY A 15 -4.716 -13.956 -6.473 1.00 0.00 C ATOM 219 C GLY A 15 -5.076 -12.721 -5.639 1.00 0.00 C ATOM 220 O GLY A 15 -5.111 -11.599 -6.177 1.00 0.00 O ATOM 0 H GLY A 15 -4.514 -15.976 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.034 -13.651 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.622 -14.325 -6.955 1.00 0.00 H new ATOM 224 N ARG A 16 -5.356 -12.930 -4.323 1.00 0.00 N ATOM 225 CA ARG A 16 -5.674 -11.845 -3.368 1.00 0.00 C ATOM 226 C ARG A 16 -4.500 -10.855 -3.220 1.00 0.00 C ATOM 227 O ARG A 16 -4.738 -9.664 -3.021 1.00 0.00 O ATOM 228 CB ARG A 16 -6.083 -12.421 -1.990 1.00 0.00 C ATOM 229 CG ARG A 16 -6.110 -11.384 -0.834 1.00 0.00 C ATOM 230 CD ARG A 16 -6.828 -11.878 0.418 1.00 0.00 C ATOM 231 NE ARG A 16 -8.291 -11.782 0.306 1.00 0.00 N ATOM 232 CZ ARG A 16 -9.053 -10.885 0.959 1.00 0.00 C ATOM 233 NH1 ARG A 16 -8.509 -9.984 1.780 1.00 0.00 N ATOM 234 NH2 ARG A 16 -10.367 -10.894 0.785 1.00 0.00 N ATOM 0 H ARG A 16 -5.366 -13.858 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.522 -11.293 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.072 -12.871 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.391 -13.221 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.086 -11.118 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.596 -10.474 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.549 -12.915 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.494 -11.296 1.277 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.763 -12.443 -0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.499 -9.967 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.103 -9.312 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.794 -11.578 0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.951 -10.217 1.276 1.00 0.00 H new ATOM 248 N GLU A 17 -3.245 -11.353 -3.319 1.00 0.00 N ATOM 249 CA GLU A 17 -2.037 -10.495 -3.267 1.00 0.00 C ATOM 250 C GLU A 17 -2.104 -9.394 -4.330 1.00 0.00 C ATOM 251 O GLU A 17 -1.819 -8.252 -4.027 1.00 0.00 O ATOM 252 CB GLU A 17 -0.726 -11.311 -3.443 1.00 0.00 C ATOM 253 CG GLU A 17 -0.415 -12.288 -2.297 1.00 0.00 C ATOM 254 CD GLU A 17 0.933 -12.996 -2.494 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.977 -12.333 -2.378 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.964 -14.212 -2.774 1.00 0.00 O ATOM 0 H GLU A 17 -3.042 -12.346 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.019 -10.042 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.787 -11.874 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.107 -10.616 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.405 -11.746 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.209 -13.032 -2.230 1.00 0.00 H new ATOM 263 N GLY A 18 -2.506 -9.775 -5.558 1.00 0.00 N ATOM 264 CA GLY A 18 -2.641 -8.840 -6.676 1.00 0.00 C ATOM 265 C GLY A 18 -3.836 -7.902 -6.567 1.00 0.00 C ATOM 266 O GLY A 18 -3.772 -6.768 -7.060 1.00 0.00 O ATOM 0 H GLY A 18 -2.744 -10.738 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.731 -8.244 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.723 -9.409 -7.602 1.00 0.00 H new ATOM 270 N HIS A 19 -4.943 -8.385 -5.961 1.00 0.00 N ATOM 271 CA HIS A 19 -6.147 -7.559 -5.712 1.00 0.00 C ATOM 272 C HIS A 19 -5.847 -6.468 -4.675 1.00 0.00 C ATOM 273 O HIS A 19 -6.118 -5.286 -4.904 1.00 0.00 O ATOM 274 CB HIS A 19 -7.330 -8.441 -5.231 1.00 0.00 C ATOM 275 CG HIS A 19 -7.850 -9.396 -6.277 1.00 0.00 C ATOM 276 ND1 HIS A 19 -7.906 -10.763 -6.101 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.355 -9.164 -7.513 1.00 0.00 C ATOM 278 CE1 HIS A 19 -8.405 -11.324 -7.184 1.00 0.00 C ATOM 279 NE2 HIS A 19 -8.683 -10.380 -8.050 1.00 0.00 N ATOM 0 H HIS A 19 -5.028 -9.347 -5.634 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.430 -7.082 -6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.012 -9.012 -4.359 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.145 -7.793 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.476 -8.201 -7.986 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.559 -12.383 -7.333 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.081 -10.528 -8.977 1.00 0.00 H new ATOM 288 N LEU A 20 -5.299 -6.903 -3.544 1.00 0.00 N ATOM 289 CA LEU A 20 -4.895 -6.047 -2.419 1.00 0.00 C ATOM 290 C LEU A 20 -3.768 -5.078 -2.848 1.00 0.00 C ATOM 291 O LEU A 20 -3.744 -3.918 -2.427 1.00 0.00 O ATOM 292 CB LEU A 20 -4.472 -6.983 -1.235 1.00 0.00 C ATOM 293 CG LEU A 20 -4.300 -6.346 0.191 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.919 -5.695 0.396 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.434 -5.341 0.490 1.00 0.00 C ATOM 0 H LEU A 20 -5.116 -7.892 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.721 -5.416 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.214 -7.777 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.527 -7.455 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.365 -7.167 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.861 -5.273 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.140 -6.448 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.777 -4.903 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.290 -4.915 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.418 -4.543 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.395 -5.854 0.451 1.00 0.00 H new ATOM 307 N GLU A 21 -2.862 -5.585 -3.703 1.00 0.00 N ATOM 308 CA GLU A 21 -1.811 -4.788 -4.387 1.00 0.00 C ATOM 309 C GLU A 21 -2.447 -3.643 -5.187 1.00 0.00 C ATOM 310 O GLU A 21 -2.055 -2.481 -5.057 1.00 0.00 O ATOM 311 CB GLU A 21 -1.022 -5.715 -5.351 1.00 0.00 C ATOM 312 CG GLU A 21 0.015 -5.041 -6.263 1.00 0.00 C ATOM 313 CD GLU A 21 0.580 -6.001 -7.330 1.00 0.00 C ATOM 314 OE1 GLU A 21 1.223 -6.999 -6.963 1.00 0.00 O ATOM 315 OE2 GLU A 21 0.359 -5.766 -8.537 1.00 0.00 O ATOM 0 H GLU A 21 -2.833 -6.575 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.139 -4.364 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.510 -6.470 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.740 -6.240 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.443 -4.184 -6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.834 -4.658 -5.654 1.00 0.00 H new ATOM 322 N GLN A 22 -3.476 -4.013 -5.975 1.00 0.00 N ATOM 323 CA GLN A 22 -4.196 -3.098 -6.869 1.00 0.00 C ATOM 324 C GLN A 22 -4.887 -2.002 -6.056 1.00 0.00 C ATOM 325 O GLN A 22 -4.901 -0.831 -6.462 1.00 0.00 O ATOM 326 CB GLN A 22 -5.223 -3.903 -7.718 1.00 0.00 C ATOM 327 CG GLN A 22 -6.048 -3.094 -8.743 1.00 0.00 C ATOM 328 CD GLN A 22 -5.190 -2.272 -9.710 1.00 0.00 C ATOM 329 OE1 GLN A 22 -4.906 -1.099 -9.458 1.00 0.00 O ATOM 330 NE2 GLN A 22 -4.763 -2.877 -10.808 1.00 0.00 N ATOM 0 H GLN A 22 -3.831 -4.969 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.490 -2.616 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.685 -4.686 -8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.915 -4.399 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.672 -3.779 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.720 -2.424 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.016 -3.849 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.181 -2.371 -11.475 1.00 0.00 H new ATOM 339 N ARG A 23 -5.443 -2.384 -4.886 1.00 0.00 N ATOM 340 CA ARG A 23 -6.114 -1.446 -3.984 1.00 0.00 C ATOM 341 C ARG A 23 -5.129 -0.410 -3.414 1.00 0.00 C ATOM 342 O ARG A 23 -5.373 0.790 -3.543 1.00 0.00 O ATOM 343 CB ARG A 23 -6.840 -2.217 -2.845 1.00 0.00 C ATOM 344 CG ARG A 23 -7.972 -3.152 -3.339 1.00 0.00 C ATOM 345 CD ARG A 23 -9.049 -2.407 -4.160 1.00 0.00 C ATOM 346 NE ARG A 23 -10.148 -3.286 -4.625 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.812 -3.155 -5.793 1.00 0.00 C ATOM 348 NH1 ARG A 23 -10.501 -2.198 -6.668 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.807 -3.991 -6.069 1.00 0.00 N ATOM 0 H ARG A 23 -5.435 -3.347 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.861 -0.898 -4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.107 -2.809 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.258 -1.497 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.541 -3.946 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.443 -3.630 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.468 -1.605 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.577 -1.939 -5.024 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.425 -4.053 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.746 -1.544 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.018 -2.120 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.060 -4.720 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.318 -3.904 -6.948 1.00 0.00 H new ATOM 363 N ILE A 24 -4.001 -0.894 -2.838 1.00 0.00 N ATOM 364 CA ILE A 24 -2.974 -0.023 -2.221 1.00 0.00 C ATOM 365 C ILE A 24 -2.444 0.999 -3.248 1.00 0.00 C ATOM 366 O ILE A 24 -2.434 2.203 -2.970 1.00 0.00 O ATOM 367 CB ILE A 24 -1.770 -0.844 -1.602 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.260 -1.759 -0.431 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.628 0.097 -1.123 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.170 -2.577 0.243 1.00 0.00 C ATOM 0 H ILE A 24 -3.780 -1.889 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.461 0.504 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.368 -1.482 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.742 -1.134 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.020 -2.440 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.183 -0.499 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.254 0.675 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.011 0.776 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.607 -3.178 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.701 -3.233 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.420 -1.907 0.663 1.00 0.00 H new ATOM 382 N LEU A 25 -2.094 0.516 -4.458 1.00 0.00 N ATOM 383 CA LEU A 25 -1.496 1.348 -5.516 1.00 0.00 C ATOM 384 C LEU A 25 -2.485 2.416 -6.018 1.00 0.00 C ATOM 385 O LEU A 25 -2.066 3.523 -6.361 1.00 0.00 O ATOM 386 CB LEU A 25 -1.005 0.455 -6.690 1.00 0.00 C ATOM 387 CG LEU A 25 0.176 -0.504 -6.342 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.538 -1.412 -7.539 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.396 0.301 -5.854 1.00 0.00 C ATOM 0 H LEU A 25 -2.219 -0.460 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.638 1.870 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.844 -0.142 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.698 1.100 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.145 -1.158 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.364 -2.067 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.327 -2.015 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.833 -0.795 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.211 -0.382 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.716 0.988 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.125 0.868 -4.963 1.00 0.00 H new ATOM 401 N GLN A 26 -3.794 2.081 -6.019 1.00 0.00 N ATOM 402 CA GLN A 26 -4.844 3.033 -6.426 1.00 0.00 C ATOM 403 C GLN A 26 -4.986 4.152 -5.368 1.00 0.00 C ATOM 404 O GLN A 26 -5.070 5.320 -5.729 1.00 0.00 O ATOM 405 CB GLN A 26 -6.213 2.330 -6.674 1.00 0.00 C ATOM 406 CG GLN A 26 -7.281 3.283 -7.266 1.00 0.00 C ATOM 407 CD GLN A 26 -8.669 2.674 -7.506 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.376 3.077 -8.433 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.097 1.749 -6.657 1.00 0.00 N ATOM 0 H GLN A 26 -4.145 1.163 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.538 3.475 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.067 1.490 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.581 1.920 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.391 4.135 -6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.908 3.671 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.492 1.433 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.031 1.353 -6.762 1.00 0.00 H new ATOM 418 N VAL A 27 -4.965 3.770 -4.066 1.00 0.00 N ATOM 419 CA VAL A 27 -5.017 4.724 -2.925 1.00 0.00 C ATOM 420 C VAL A 27 -3.860 5.755 -3.017 1.00 0.00 C ATOM 421 O VAL A 27 -4.066 6.967 -2.846 1.00 0.00 O ATOM 422 CB VAL A 27 -4.934 3.955 -1.539 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.917 4.919 -0.337 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.084 2.934 -1.380 1.00 0.00 C ATOM 0 H VAL A 27 -4.912 2.794 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.969 5.252 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.988 3.413 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.860 4.346 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.051 5.577 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.828 5.517 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.992 2.429 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.041 3.454 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.031 2.199 -2.183 1.00 0.00 H new ATOM 434 N LEU A 28 -2.663 5.237 -3.346 1.00 0.00 N ATOM 435 CA LEU A 28 -1.426 6.033 -3.492 1.00 0.00 C ATOM 436 C LEU A 28 -1.518 6.996 -4.694 1.00 0.00 C ATOM 437 O LEU A 28 -1.125 8.163 -4.596 1.00 0.00 O ATOM 438 CB LEU A 28 -0.212 5.085 -3.673 1.00 0.00 C ATOM 439 CG LEU A 28 0.037 4.069 -2.522 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.169 3.092 -2.882 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.309 4.774 -1.181 1.00 0.00 C ATOM 0 H LEU A 28 -2.523 4.242 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.297 6.629 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.346 4.528 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.684 5.694 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.878 3.490 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.322 2.393 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.900 2.540 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.088 3.650 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.477 4.027 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.192 5.406 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.550 5.389 -0.912 1.00 0.00 H new ATOM 453 N THR A 29 -2.057 6.481 -5.819 1.00 0.00 N ATOM 454 CA THR A 29 -2.143 7.202 -7.101 1.00 0.00 C ATOM 455 C THR A 29 -3.215 8.315 -7.066 1.00 0.00 C ATOM 456 O THR A 29 -3.002 9.394 -7.623 1.00 0.00 O ATOM 457 CB THR A 29 -2.416 6.170 -8.255 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.275 5.303 -8.380 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.712 6.817 -9.623 1.00 0.00 C ATOM 0 H THR A 29 -2.449 5.540 -5.860 1.00 0.00 H new ATOM 0 HA THR A 29 -1.193 7.702 -7.287 1.00 0.00 H new ATOM 0 HB THR A 29 -3.315 5.621 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.347 4.572 -7.732 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.889 6.037 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.597 7.449 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.860 7.423 -9.931 1.00 0.00 H new ATOM 467 N GLU A 30 -4.360 8.055 -6.396 1.00 0.00 N ATOM 468 CA GLU A 30 -5.453 9.043 -6.266 1.00 0.00 C ATOM 469 C GLU A 30 -5.029 10.202 -5.354 1.00 0.00 C ATOM 470 O GLU A 30 -5.298 11.371 -5.659 1.00 0.00 O ATOM 471 CB GLU A 30 -6.745 8.375 -5.714 1.00 0.00 C ATOM 472 CG GLU A 30 -7.367 7.317 -6.649 1.00 0.00 C ATOM 473 CD GLU A 30 -8.627 6.673 -6.059 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.498 5.762 -5.224 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.753 7.083 -6.408 1.00 0.00 O ATOM 0 H GLU A 30 -4.551 7.165 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.666 9.438 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.516 7.906 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.486 9.151 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.615 7.782 -7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.630 6.541 -6.854 1.00 0.00 H new ATOM 482 N ALA A 31 -4.361 9.856 -4.239 1.00 0.00 N ATOM 483 CA ALA A 31 -3.836 10.838 -3.281 1.00 0.00 C ATOM 484 C ALA A 31 -2.701 11.666 -3.911 1.00 0.00 C ATOM 485 O ALA A 31 -2.593 12.875 -3.657 1.00 0.00 O ATOM 486 CB ALA A 31 -3.350 10.126 -2.010 1.00 0.00 C ATOM 0 H ALA A 31 -4.172 8.888 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.639 11.524 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.963 10.862 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.181 9.589 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.560 9.420 -2.268 1.00 0.00 H new ATOM 492 N GLY A 32 -1.880 10.989 -4.747 1.00 0.00 N ATOM 493 CA GLY A 32 -0.680 11.587 -5.351 1.00 0.00 C ATOM 494 C GLY A 32 0.314 12.079 -4.308 1.00 0.00 C ATOM 495 O GLY A 32 1.014 13.074 -4.518 1.00 0.00 O ATOM 0 H GLY A 32 -2.035 10.018 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.195 10.851 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.975 12.420 -5.989 1.00 0.00 H new ATOM 499 N SER A 33 0.367 11.340 -3.190 1.00 0.00 N ATOM 500 CA SER A 33 1.031 11.757 -1.950 1.00 0.00 C ATOM 501 C SER A 33 1.223 10.508 -1.046 1.00 0.00 C ATOM 502 O SER A 33 0.435 9.554 -1.154 1.00 0.00 O ATOM 503 CB SER A 33 0.156 12.842 -1.251 1.00 0.00 C ATOM 504 OG SER A 33 0.670 13.235 0.009 1.00 0.00 O ATOM 0 H SER A 33 -0.060 10.416 -3.123 1.00 0.00 H new ATOM 0 HA SER A 33 2.011 12.189 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.085 13.716 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.856 12.458 -1.122 1.00 0.00 H new ATOM 0 HG SER A 33 0.086 13.917 0.402 1.00 0.00 H new ATOM 510 N PRO A 34 2.276 10.476 -0.162 1.00 0.00 N ATOM 511 CA PRO A 34 2.498 9.366 0.810 1.00 0.00 C ATOM 512 C PRO A 34 1.263 9.103 1.705 1.00 0.00 C ATOM 513 O PRO A 34 0.819 9.993 2.434 1.00 0.00 O ATOM 514 CB PRO A 34 3.727 9.855 1.646 1.00 0.00 C ATOM 515 CG PRO A 34 3.844 11.324 1.357 1.00 0.00 C ATOM 516 CD PRO A 34 3.366 11.486 -0.063 1.00 0.00 C ATOM 0 HA PRO A 34 2.672 8.411 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.576 9.674 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.635 9.324 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.237 11.911 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.873 11.667 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.001 12.495 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.162 11.294 -0.782 1.00 0.00 H new ATOM 524 N VAL A 35 0.706 7.885 1.617 1.00 0.00 N ATOM 525 CA VAL A 35 -0.458 7.462 2.410 1.00 0.00 C ATOM 526 C VAL A 35 0.032 6.559 3.550 1.00 0.00 C ATOM 527 O VAL A 35 0.749 5.583 3.309 1.00 0.00 O ATOM 528 CB VAL A 35 -1.529 6.695 1.546 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.777 6.336 2.388 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.921 7.507 0.288 1.00 0.00 C ATOM 0 H VAL A 35 1.054 7.161 0.989 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.946 8.355 2.801 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.075 5.762 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.497 5.808 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.482 5.698 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.231 7.249 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.661 6.951 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.342 8.466 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.036 7.676 -0.326 1.00 0.00 H new ATOM 540 N LYS A 36 -0.360 6.890 4.779 1.00 0.00 N ATOM 541 CA LYS A 36 0.049 6.155 5.985 1.00 0.00 C ATOM 542 C LYS A 36 -0.592 4.759 6.014 1.00 0.00 C ATOM 543 O LYS A 36 -1.684 4.568 5.474 1.00 0.00 O ATOM 544 CB LYS A 36 -0.347 6.983 7.233 1.00 0.00 C ATOM 545 CG LYS A 36 0.352 8.367 7.295 1.00 0.00 C ATOM 546 CD LYS A 36 -0.154 9.257 8.453 1.00 0.00 C ATOM 547 CE LYS A 36 0.554 10.626 8.504 1.00 0.00 C ATOM 548 NZ LYS A 36 0.357 11.408 7.254 1.00 0.00 N ATOM 0 H LYS A 36 -0.975 7.681 4.972 1.00 0.00 H new ATOM 0 HA LYS A 36 1.130 6.012 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.427 7.128 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.098 6.417 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.427 8.219 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.195 8.888 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.228 9.411 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.000 8.738 9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.175 11.197 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.620 10.475 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.732 12.369 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.858 10.943 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.658 11.460 7.033 1.00 0.00 H new ATOM 562 N LEU A 37 0.107 3.802 6.645 1.00 0.00 N ATOM 563 CA LEU A 37 -0.336 2.399 6.768 1.00 0.00 C ATOM 564 C LEU A 37 -1.697 2.301 7.479 1.00 0.00 C ATOM 565 O LEU A 37 -2.576 1.570 7.025 1.00 0.00 O ATOM 566 CB LEU A 37 0.727 1.576 7.531 1.00 0.00 C ATOM 567 CG LEU A 37 0.370 0.089 7.854 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.104 -0.739 6.577 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.471 -0.543 8.726 1.00 0.00 C ATOM 0 H LEU A 37 1.007 3.980 7.090 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.455 1.991 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.647 1.585 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.941 2.086 8.470 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.562 0.083 8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.140 -1.765 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.730 -0.303 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.994 -0.734 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.212 -1.579 8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.421 -0.512 8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.561 0.014 9.659 1.00 0.00 H new ATOM 581 N ALA A 38 -1.834 3.022 8.602 1.00 0.00 N ATOM 582 CA ALA A 38 -3.112 3.200 9.315 1.00 0.00 C ATOM 583 C ALA A 38 -4.258 3.687 8.401 1.00 0.00 C ATOM 584 O ALA A 38 -5.404 3.261 8.575 1.00 0.00 O ATOM 585 CB ALA A 38 -2.921 4.157 10.494 1.00 0.00 C ATOM 0 H ALA A 38 -1.053 3.504 9.047 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.411 2.218 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.869 4.284 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.181 3.746 11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.577 5.124 10.126 1.00 0.00 H new ATOM 591 N GLN A 39 -3.954 4.555 7.412 1.00 0.00 N ATOM 592 CA GLN A 39 -4.966 5.031 6.449 1.00 0.00 C ATOM 593 C GLN A 39 -5.223 3.938 5.372 1.00 0.00 C ATOM 594 O GLN A 39 -6.346 3.780 4.909 1.00 0.00 O ATOM 595 CB GLN A 39 -4.489 6.347 5.770 1.00 0.00 C ATOM 596 CG GLN A 39 -5.602 7.131 5.023 1.00 0.00 C ATOM 597 CD GLN A 39 -6.253 8.243 5.863 1.00 0.00 C ATOM 598 OE1 GLN A 39 -7.200 8.012 6.616 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.773 9.469 5.716 1.00 0.00 N ATOM 0 H GLN A 39 -3.021 4.938 7.261 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.894 5.232 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.054 6.996 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.695 6.108 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.179 7.572 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.374 6.431 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.988 9.637 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.188 10.245 6.232 1.00 0.00 H new ATOM 608 N LEU A 40 -4.151 3.181 5.015 1.00 0.00 N ATOM 609 CA LEU A 40 -4.214 2.060 4.043 1.00 0.00 C ATOM 610 C LEU A 40 -5.114 0.923 4.577 1.00 0.00 C ATOM 611 O LEU A 40 -5.767 0.235 3.792 1.00 0.00 O ATOM 612 CB LEU A 40 -2.786 1.499 3.728 1.00 0.00 C ATOM 613 CG LEU A 40 -1.831 2.420 2.893 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.396 1.837 2.821 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.404 2.665 1.481 1.00 0.00 C ATOM 0 H LEU A 40 -3.217 3.333 5.395 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.643 2.451 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.295 1.270 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.902 0.557 3.193 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.765 3.380 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.238 2.502 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.010 1.744 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.426 0.855 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.725 3.307 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.515 1.712 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.377 3.149 1.562 1.00 0.00 H new ATOM 627 N VAL A 41 -5.117 0.726 5.919 1.00 0.00 N ATOM 628 CA VAL A 41 -5.999 -0.254 6.596 1.00 0.00 C ATOM 629 C VAL A 41 -7.467 0.067 6.308 1.00 0.00 C ATOM 630 O VAL A 41 -8.235 -0.810 5.896 1.00 0.00 O ATOM 631 CB VAL A 41 -5.743 -0.295 8.160 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.748 -1.219 8.880 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.296 -0.730 8.485 1.00 0.00 C ATOM 0 H VAL A 41 -4.511 1.240 6.558 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.762 -1.240 6.197 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.890 0.720 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.539 -1.220 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.762 -0.858 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.653 -2.233 8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.155 -0.747 9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.116 -1.726 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.595 -0.024 8.039 1.00 0.00 H new ATOM 643 N LYS A 42 -7.812 1.348 6.473 1.00 0.00 N ATOM 644 CA LYS A 42 -9.171 1.847 6.255 1.00 0.00 C ATOM 645 C LYS A 42 -9.563 1.771 4.765 1.00 0.00 C ATOM 646 O LYS A 42 -10.580 1.169 4.420 1.00 0.00 O ATOM 647 CB LYS A 42 -9.294 3.301 6.779 1.00 0.00 C ATOM 648 CG LYS A 42 -10.691 3.926 6.563 1.00 0.00 C ATOM 649 CD LYS A 42 -10.815 5.353 7.140 1.00 0.00 C ATOM 650 CE LYS A 42 -9.888 6.359 6.452 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.006 7.717 7.054 1.00 0.00 N ATOM 0 H LYS A 42 -7.152 2.070 6.763 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.861 1.212 6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.061 3.314 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.548 3.921 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.909 3.953 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.443 3.287 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.847 5.691 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.589 5.329 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.857 6.015 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.129 6.409 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.073 8.177 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.672 8.288 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.355 7.635 8.030 1.00 0.00 H new ATOM 665 N GLU A 43 -8.731 2.366 3.897 1.00 0.00 N ATOM 666 CA GLU A 43 -9.031 2.546 2.467 1.00 0.00 C ATOM 667 C GLU A 43 -9.010 1.226 1.682 1.00 0.00 C ATOM 668 O GLU A 43 -9.958 0.930 0.948 1.00 0.00 O ATOM 669 CB GLU A 43 -8.033 3.570 1.872 1.00 0.00 C ATOM 670 CG GLU A 43 -8.115 4.973 2.509 1.00 0.00 C ATOM 671 CD GLU A 43 -9.495 5.647 2.355 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.752 6.268 1.304 1.00 0.00 O ATOM 673 OE2 GLU A 43 -10.331 5.549 3.275 1.00 0.00 O ATOM 0 H GLU A 43 -7.822 2.740 4.170 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.049 2.925 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.020 3.186 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.215 3.658 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.875 4.895 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.356 5.612 2.057 1.00 0.00 H new ATOM 680 N CYS A 44 -7.946 0.417 1.852 1.00 0.00 N ATOM 681 CA CYS A 44 -7.822 -0.879 1.149 1.00 0.00 C ATOM 682 C CYS A 44 -8.716 -1.940 1.821 1.00 0.00 C ATOM 683 O CYS A 44 -8.991 -2.986 1.222 1.00 0.00 O ATOM 684 CB CYS A 44 -6.345 -1.347 1.118 1.00 0.00 C ATOM 685 SG CYS A 44 -5.205 -0.115 0.467 1.00 0.00 S ATOM 0 H CYS A 44 -7.162 0.635 2.467 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.156 -0.747 0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.037 -1.615 2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.273 -2.251 0.513 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.322 0.181 1.374 1.00 0.00 H new ATOM 691 N GLN A 45 -9.163 -1.635 3.073 1.00 0.00 N ATOM 692 CA GLN A 45 -10.100 -2.470 3.847 1.00 0.00 C ATOM 693 C GLN A 45 -9.482 -3.843 4.141 1.00 0.00 C ATOM 694 O GLN A 45 -10.046 -4.887 3.801 1.00 0.00 O ATOM 695 CB GLN A 45 -11.486 -2.552 3.118 1.00 0.00 C ATOM 696 CG GLN A 45 -12.204 -1.190 3.002 1.00 0.00 C ATOM 697 CD GLN A 45 -13.445 -1.221 2.108 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.559 -1.505 2.560 1.00 0.00 O ATOM 699 NE2 GLN A 45 -13.256 -0.925 0.832 1.00 0.00 N ATOM 0 H GLN A 45 -8.874 -0.792 3.569 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.288 -2.007 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.338 -2.962 2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.130 -3.248 3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.494 -0.856 3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.503 -0.453 2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.321 -0.695 0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.045 -0.926 0.186 1.00 0.00 H new ATOM 708 N ALA A 46 -8.299 -3.804 4.783 1.00 0.00 N ATOM 709 CA ALA A 46 -7.468 -4.994 5.043 1.00 0.00 C ATOM 710 C ALA A 46 -6.674 -4.841 6.358 1.00 0.00 C ATOM 711 O ALA A 46 -6.366 -3.719 6.756 1.00 0.00 O ATOM 712 CB ALA A 46 -6.505 -5.200 3.868 1.00 0.00 C ATOM 0 H ALA A 46 -7.891 -2.939 5.138 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.119 -5.862 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.887 -6.079 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.076 -5.345 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.866 -4.323 3.763 1.00 0.00 H new ATOM 718 N PRO A 47 -6.342 -5.976 7.066 1.00 0.00 N ATOM 719 CA PRO A 47 -5.455 -5.952 8.252 1.00 0.00 C ATOM 720 C PRO A 47 -4.053 -5.391 7.915 1.00 0.00 C ATOM 721 O PRO A 47 -3.513 -5.695 6.847 1.00 0.00 O ATOM 722 CB PRO A 47 -5.383 -7.454 8.683 1.00 0.00 C ATOM 723 CG PRO A 47 -6.615 -8.078 8.089 1.00 0.00 C ATOM 724 CD PRO A 47 -6.824 -7.357 6.781 1.00 0.00 C ATOM 0 HA PRO A 47 -5.830 -5.300 9.041 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.477 -7.931 8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.371 -7.555 9.768 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.480 -9.148 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.475 -7.958 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.259 -7.821 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.872 -7.363 6.482 1.00 0.00 H new ATOM 732 N LYS A 48 -3.526 -4.537 8.818 1.00 0.00 N ATOM 733 CA LYS A 48 -2.123 -4.041 8.825 1.00 0.00 C ATOM 734 C LYS A 48 -1.104 -5.104 8.342 1.00 0.00 C ATOM 735 O LYS A 48 -0.270 -4.821 7.488 1.00 0.00 O ATOM 736 CB LYS A 48 -1.756 -3.610 10.274 1.00 0.00 C ATOM 737 CG LYS A 48 -0.282 -3.179 10.461 1.00 0.00 C ATOM 738 CD LYS A 48 0.129 -2.990 11.937 1.00 0.00 C ATOM 739 CE LYS A 48 -0.632 -1.863 12.650 1.00 0.00 C ATOM 740 NZ LYS A 48 -0.387 -0.544 12.016 1.00 0.00 N ATOM 0 H LYS A 48 -4.078 -4.159 9.588 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.067 -3.203 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.403 -2.784 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.968 -4.438 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.366 -3.928 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.115 -2.245 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.037 -3.924 12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.198 -2.781 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.700 -2.080 12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.329 -1.825 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.805 0.206 12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.637 -0.385 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.821 -0.527 11.071 1.00 0.00 H new ATOM 754 N ARG A 49 -1.230 -6.321 8.908 1.00 0.00 N ATOM 755 CA ARG A 49 -0.360 -7.473 8.619 1.00 0.00 C ATOM 756 C ARG A 49 -0.435 -7.891 7.133 1.00 0.00 C ATOM 757 O ARG A 49 0.606 -8.054 6.490 1.00 0.00 O ATOM 758 CB ARG A 49 -0.744 -8.666 9.527 1.00 0.00 C ATOM 759 CG ARG A 49 0.164 -9.906 9.365 1.00 0.00 C ATOM 760 CD ARG A 49 -0.305 -11.108 10.203 1.00 0.00 C ATOM 761 NE ARG A 49 -0.382 -10.799 11.635 1.00 0.00 N ATOM 762 CZ ARG A 49 -0.776 -11.643 12.590 1.00 0.00 C ATOM 763 NH1 ARG A 49 -1.165 -12.891 12.302 1.00 0.00 N ATOM 764 NH2 ARG A 49 -0.782 -11.229 13.847 1.00 0.00 N ATOM 0 H ARG A 49 -1.956 -6.532 9.593 1.00 0.00 H new ATOM 0 HA ARG A 49 0.667 -7.173 8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.713 -8.341 10.567 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.773 -8.954 9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.194 -10.193 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.182 -9.644 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.285 -11.432 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.380 -11.942 10.051 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.111 -9.859 11.925 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.164 -13.215 11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.462 -13.518 13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.489 -10.278 14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.080 -11.860 14.590 1.00 0.00 H new ATOM 778 N GLU A 50 -1.677 -8.028 6.598 1.00 0.00 N ATOM 779 CA GLU A 50 -1.917 -8.443 5.198 1.00 0.00 C ATOM 780 C GLU A 50 -1.333 -7.406 4.232 1.00 0.00 C ATOM 781 O GLU A 50 -0.621 -7.761 3.275 1.00 0.00 O ATOM 782 CB GLU A 50 -3.441 -8.644 4.927 1.00 0.00 C ATOM 783 CG GLU A 50 -3.804 -8.828 3.429 1.00 0.00 C ATOM 784 CD GLU A 50 -5.244 -9.299 3.195 1.00 0.00 C ATOM 785 OE1 GLU A 50 -6.157 -8.457 3.119 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.462 -10.520 3.101 1.00 0.00 O ATOM 0 H GLU A 50 -2.533 -7.854 7.125 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.418 -9.398 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.785 -9.517 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.984 -7.783 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.652 -7.882 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.119 -9.550 2.985 1.00 0.00 H new ATOM 793 N LEU A 51 -1.629 -6.120 4.527 1.00 0.00 N ATOM 794 CA LEU A 51 -1.075 -4.970 3.803 1.00 0.00 C ATOM 795 C LEU A 51 0.446 -5.047 3.751 1.00 0.00 C ATOM 796 O LEU A 51 0.996 -5.017 2.678 1.00 0.00 O ATOM 797 CB LEU A 51 -1.497 -3.646 4.474 1.00 0.00 C ATOM 798 CG LEU A 51 -3.018 -3.336 4.469 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.315 -2.148 5.373 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.549 -3.078 3.045 1.00 0.00 C ATOM 0 H LEU A 51 -2.264 -5.857 5.281 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.469 -4.997 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.152 -3.660 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.978 -2.827 3.976 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.535 -4.215 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.385 -1.940 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.001 -2.378 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.772 -1.274 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.617 -2.865 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.026 -2.226 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.379 -3.960 2.428 1.00 0.00 H new ATOM 812 N ASN A 52 1.081 -5.191 4.934 1.00 0.00 N ATOM 813 CA ASN A 52 2.550 -5.189 5.085 1.00 0.00 C ATOM 814 C ASN A 52 3.230 -6.297 4.277 1.00 0.00 C ATOM 815 O ASN A 52 4.210 -6.013 3.583 1.00 0.00 O ATOM 816 CB ASN A 52 2.965 -5.265 6.585 1.00 0.00 C ATOM 817 CG ASN A 52 2.789 -3.938 7.344 1.00 0.00 C ATOM 818 OD1 ASN A 52 3.002 -2.810 6.671 1.00 0.00 O flip ATOM 819 ND2 ASN A 52 2.489 -3.925 8.540 1.00 0.00 N flip ATOM 0 H ASN A 52 0.584 -5.313 5.816 1.00 0.00 H new ATOM 0 HA ASN A 52 2.898 -4.240 4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.373 -6.036 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.008 -5.574 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.330 -4.802 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.399 -3.037 9.034 1.00 0.00 H new ATOM 826 N GLN A 53 2.704 -7.537 4.348 1.00 0.00 N ATOM 827 CA GLN A 53 3.233 -8.670 3.563 1.00 0.00 C ATOM 828 C GLN A 53 3.273 -8.338 2.063 1.00 0.00 C ATOM 829 O GLN A 53 4.266 -8.616 1.388 1.00 0.00 O ATOM 830 CB GLN A 53 2.399 -9.958 3.805 1.00 0.00 C ATOM 831 CG GLN A 53 2.419 -10.479 5.261 1.00 0.00 C ATOM 832 CD GLN A 53 1.651 -11.795 5.449 1.00 0.00 C ATOM 833 OE1 GLN A 53 0.687 -12.081 4.738 1.00 0.00 O ATOM 834 NE2 GLN A 53 2.051 -12.598 6.422 1.00 0.00 N ATOM 0 H GLN A 53 1.911 -7.779 4.943 1.00 0.00 H new ATOM 0 HA GLN A 53 4.253 -8.851 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.366 -9.764 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.771 -10.744 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.453 -10.623 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.991 -9.720 5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.852 -12.341 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.558 -13.474 6.595 1.00 0.00 H new ATOM 843 N VAL A 54 2.195 -7.709 1.560 1.00 0.00 N ATOM 844 CA VAL A 54 2.123 -7.270 0.162 1.00 0.00 C ATOM 845 C VAL A 54 3.037 -6.037 -0.082 1.00 0.00 C ATOM 846 O VAL A 54 3.679 -5.969 -1.108 1.00 0.00 O ATOM 847 CB VAL A 54 0.630 -6.995 -0.271 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.518 -6.588 -1.755 1.00 0.00 C ATOM 849 CG2 VAL A 54 -0.259 -8.233 0.020 1.00 0.00 C ATOM 0 H VAL A 54 1.361 -7.495 2.107 1.00 0.00 H new ATOM 0 HA VAL A 54 2.496 -8.077 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 54 0.273 -6.154 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.528 -6.409 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.093 -5.678 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.910 -7.389 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.284 -8.024 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.118 -9.091 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.236 -8.455 1.087 1.00 0.00 H new ATOM 859 N LEU A 55 3.095 -5.086 0.876 1.00 0.00 N ATOM 860 CA LEU A 55 3.893 -3.835 0.782 1.00 0.00 C ATOM 861 C LEU A 55 5.402 -4.062 0.567 1.00 0.00 C ATOM 862 O LEU A 55 5.948 -3.506 -0.380 1.00 0.00 O ATOM 863 CB LEU A 55 3.652 -2.940 2.042 1.00 0.00 C ATOM 864 CG LEU A 55 2.288 -2.175 2.082 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.984 -1.638 3.496 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.264 -1.032 1.047 1.00 0.00 C ATOM 0 H LEU A 55 2.581 -5.164 1.753 1.00 0.00 H new ATOM 0 HA LEU A 55 3.539 -3.324 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.721 -3.569 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.459 -2.210 2.106 1.00 0.00 H new ATOM 0 HG LEU A 55 1.505 -2.887 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.029 -1.112 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.934 -2.470 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.774 -0.952 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.305 -0.517 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.066 -0.327 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.404 -1.443 0.047 1.00 0.00 H new ATOM 878 N TYR A 56 6.086 -4.861 1.421 1.00 0.00 N ATOM 879 CA TYR A 56 7.555 -5.053 1.297 1.00 0.00 C ATOM 880 C TYR A 56 7.888 -5.877 0.033 1.00 0.00 C ATOM 881 O TYR A 56 8.973 -5.742 -0.547 1.00 0.00 O ATOM 882 CB TYR A 56 8.131 -5.744 2.564 1.00 0.00 C ATOM 883 CG TYR A 56 7.918 -4.963 3.878 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.781 -3.935 4.269 1.00 0.00 C ATOM 885 CD2 TYR A 56 6.862 -5.268 4.738 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.585 -3.249 5.457 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.664 -4.583 5.917 1.00 0.00 C ATOM 888 CZ TYR A 56 7.527 -3.582 6.276 1.00 0.00 C ATOM 889 OH TYR A 56 7.332 -2.904 7.459 1.00 0.00 O ATOM 0 H TYR A 56 5.656 -5.375 2.190 1.00 0.00 H new ATOM 0 HA TYR A 56 8.020 -4.071 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.673 -6.728 2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.200 -5.902 2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.614 -3.671 3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.181 -6.063 4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.260 -2.455 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.831 -4.835 6.556 1.00 0.00 H new ATOM 0 HH TYR A 56 6.542 -3.262 7.915 1.00 0.00 H new ATOM 899 N ARG A 57 6.918 -6.708 -0.392 1.00 0.00 N ATOM 900 CA ARG A 57 6.964 -7.444 -1.663 1.00 0.00 C ATOM 901 C ARG A 57 6.929 -6.442 -2.837 1.00 0.00 C ATOM 902 O ARG A 57 7.817 -6.447 -3.691 1.00 0.00 O ATOM 903 CB ARG A 57 5.742 -8.412 -1.711 1.00 0.00 C ATOM 904 CG ARG A 57 5.379 -8.976 -3.101 1.00 0.00 C ATOM 905 CD ARG A 57 4.061 -9.765 -3.096 1.00 0.00 C ATOM 906 NE ARG A 57 3.610 -10.119 -4.455 1.00 0.00 N ATOM 907 CZ ARG A 57 2.654 -9.478 -5.147 1.00 0.00 C ATOM 908 NH1 ARG A 57 2.023 -8.427 -4.625 1.00 0.00 N ATOM 909 NH2 ARG A 57 2.337 -9.890 -6.370 1.00 0.00 N ATOM 0 H ARG A 57 6.071 -6.887 0.147 1.00 0.00 H new ATOM 0 HA ARG A 57 7.883 -8.025 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.941 -9.249 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.872 -7.887 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.303 -8.154 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.184 -9.624 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.188 -10.675 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.289 -9.174 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 57 4.061 -10.915 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.264 -8.100 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.299 -7.949 -5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.819 -10.690 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.612 -9.406 -6.899 1.00 0.00 H new ATOM 923 N MET A 58 5.913 -5.555 -2.819 1.00 0.00 N ATOM 924 CA MET A 58 5.697 -4.513 -3.837 1.00 0.00 C ATOM 925 C MET A 58 6.841 -3.490 -3.861 1.00 0.00 C ATOM 926 O MET A 58 7.083 -2.862 -4.885 1.00 0.00 O ATOM 927 CB MET A 58 4.346 -3.780 -3.603 1.00 0.00 C ATOM 928 CG MET A 58 3.095 -4.615 -3.863 1.00 0.00 C ATOM 929 SD MET A 58 1.592 -3.611 -3.851 1.00 0.00 S ATOM 930 CE MET A 58 1.557 -2.990 -2.178 1.00 0.00 C ATOM 0 H MET A 58 5.208 -5.545 -2.082 1.00 0.00 H new ATOM 0 HA MET A 58 5.670 -5.016 -4.803 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.318 -3.426 -2.573 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.314 -2.899 -4.244 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.188 -5.116 -4.827 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.016 -5.394 -3.105 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.689 -2.344 -2.048 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.495 -3.826 -1.481 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.466 -2.421 -1.982 1.00 0.00 H new ATOM 940 N LYS A 59 7.518 -3.313 -2.715 1.00 0.00 N ATOM 941 CA LYS A 59 8.678 -2.427 -2.588 1.00 0.00 C ATOM 942 C LYS A 59 9.860 -2.972 -3.409 1.00 0.00 C ATOM 943 O LYS A 59 10.552 -2.209 -4.096 1.00 0.00 O ATOM 944 CB LYS A 59 9.054 -2.287 -1.090 1.00 0.00 C ATOM 945 CG LYS A 59 10.133 -1.230 -0.798 1.00 0.00 C ATOM 946 CD LYS A 59 10.552 -1.208 0.689 1.00 0.00 C ATOM 947 CE LYS A 59 11.645 -0.169 0.967 1.00 0.00 C ATOM 948 NZ LYS A 59 12.871 -0.401 0.150 1.00 0.00 N ATOM 0 H LYS A 59 7.271 -3.786 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 59 8.430 -1.441 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.156 -2.037 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.402 -3.253 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.009 -1.429 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.759 -0.246 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.681 -0.991 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.910 -2.196 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.256 0.828 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.906 -0.195 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.642 0.203 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.153 -1.399 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.675 -0.168 -0.844 1.00 0.00 H new ATOM 962 N LYS A 60 10.049 -4.312 -3.354 1.00 0.00 N ATOM 963 CA LYS A 60 11.020 -5.032 -4.199 1.00 0.00 C ATOM 964 C LYS A 60 10.627 -4.895 -5.687 1.00 0.00 C ATOM 965 O LYS A 60 11.477 -4.675 -6.556 1.00 0.00 O ATOM 966 CB LYS A 60 11.074 -6.534 -3.794 1.00 0.00 C ATOM 967 CG LYS A 60 12.063 -7.393 -4.620 1.00 0.00 C ATOM 968 CD LYS A 60 12.020 -8.902 -4.263 1.00 0.00 C ATOM 969 CE LYS A 60 12.404 -9.197 -2.804 1.00 0.00 C ATOM 970 NZ LYS A 60 12.415 -10.663 -2.524 1.00 0.00 N ATOM 0 H LYS A 60 9.530 -4.921 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 60 12.008 -4.595 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.347 -6.602 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.075 -6.959 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.839 -7.272 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.075 -7.019 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.016 -9.283 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.696 -9.443 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.389 -8.779 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.699 -8.704 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.678 -10.825 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.469 -11.057 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.106 -11.130 -3.146 1.00 0.00 H new ATOM 984 N GLU A 61 9.312 -4.985 -5.948 1.00 0.00 N ATOM 985 CA GLU A 61 8.731 -4.853 -7.298 1.00 0.00 C ATOM 986 C GLU A 61 8.648 -3.369 -7.752 1.00 0.00 C ATOM 987 O GLU A 61 8.142 -3.090 -8.838 1.00 0.00 O ATOM 988 CB GLU A 61 7.326 -5.518 -7.308 1.00 0.00 C ATOM 989 CG GLU A 61 7.321 -6.992 -6.834 1.00 0.00 C ATOM 990 CD GLU A 61 5.910 -7.610 -6.735 1.00 0.00 C ATOM 991 OE1 GLU A 61 5.095 -7.119 -5.928 1.00 0.00 O ATOM 992 OE2 GLU A 61 5.610 -8.574 -7.474 1.00 0.00 O ATOM 0 H GLU A 61 8.615 -5.153 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 61 9.382 -5.359 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.658 -4.940 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.921 -5.471 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.921 -7.587 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.803 -7.052 -5.858 1.00 0.00 H new ATOM 999 N LEU A 62 9.122 -2.434 -6.871 1.00 0.00 N ATOM 1000 CA LEU A 62 9.248 -0.969 -7.133 1.00 0.00 C ATOM 1001 C LEU A 62 7.884 -0.253 -7.273 1.00 0.00 C ATOM 1002 O LEU A 62 7.828 0.919 -7.653 1.00 0.00 O ATOM 1003 CB LEU A 62 10.171 -0.684 -8.361 1.00 0.00 C ATOM 1004 CG LEU A 62 11.654 -1.176 -8.246 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.464 -0.809 -9.516 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.329 -0.627 -6.970 1.00 0.00 C ATOM 0 H LEU A 62 9.435 -2.689 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 62 9.722 -0.545 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.724 -1.149 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.180 0.391 -8.539 1.00 0.00 H new ATOM 0 HG LEU A 62 11.638 -2.263 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.489 -1.163 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.008 -1.279 -10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.465 0.273 -9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.357 -0.986 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.326 0.463 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.781 -0.970 -6.092 1.00 0.00 H new ATOM 1018 N LYS A 63 6.805 -0.963 -6.934 1.00 0.00 N ATOM 1019 CA LYS A 63 5.427 -0.445 -6.952 1.00 0.00 C ATOM 1020 C LYS A 63 5.229 0.605 -5.839 1.00 0.00 C ATOM 1021 O LYS A 63 4.654 1.678 -6.071 1.00 0.00 O ATOM 1022 CB LYS A 63 4.447 -1.627 -6.752 1.00 0.00 C ATOM 1023 CG LYS A 63 4.554 -2.742 -7.820 1.00 0.00 C ATOM 1024 CD LYS A 63 3.801 -4.022 -7.397 1.00 0.00 C ATOM 1025 CE LYS A 63 3.827 -5.118 -8.470 1.00 0.00 C ATOM 1026 NZ LYS A 63 2.974 -4.770 -9.626 1.00 0.00 N ATOM 0 H LYS A 63 6.862 -1.936 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 63 5.233 0.038 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.623 -2.065 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.428 -1.240 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.150 -2.379 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.604 -2.979 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.243 -4.410 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.765 -3.769 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.852 -5.273 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.488 -6.059 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.365 -5.200 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.011 -5.128 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.945 -3.736 -9.738 1.00 0.00 H new ATOM 1040 N VAL A 64 5.746 0.290 -4.633 1.00 0.00 N ATOM 1041 CA VAL A 64 5.627 1.157 -3.436 1.00 0.00 C ATOM 1042 C VAL A 64 7.029 1.483 -2.887 1.00 0.00 C ATOM 1043 O VAL A 64 8.021 0.835 -3.254 1.00 0.00 O ATOM 1044 CB VAL A 64 4.737 0.515 -2.293 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.313 0.199 -2.787 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.392 -0.735 -1.695 1.00 0.00 C ATOM 0 H VAL A 64 6.259 -0.574 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 64 5.124 2.070 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 64 4.659 1.261 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.735 -0.240 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.831 1.118 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.364 -0.505 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.750 -1.145 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.534 -1.481 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.359 -0.470 -1.267 1.00 0.00 H new ATOM 1056 N SER A 65 7.097 2.498 -2.024 1.00 0.00 N ATOM 1057 CA SER A 65 8.328 2.895 -1.327 1.00 0.00 C ATOM 1058 C SER A 65 7.965 3.432 0.062 1.00 0.00 C ATOM 1059 O SER A 65 6.833 3.868 0.283 1.00 0.00 O ATOM 1060 CB SER A 65 9.100 3.964 -2.141 1.00 0.00 C ATOM 1061 OG SER A 65 10.333 4.297 -1.523 1.00 0.00 O ATOM 0 H SER A 65 6.291 3.076 -1.785 1.00 0.00 H new ATOM 0 HA SER A 65 8.978 2.027 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.286 3.592 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.487 4.860 -2.240 1.00 0.00 H new ATOM 0 HG SER A 65 10.797 4.972 -2.061 1.00 0.00 H new ATOM 1067 N LEU A 66 8.930 3.406 0.988 1.00 0.00 N ATOM 1068 CA LEU A 66 8.726 3.849 2.374 1.00 0.00 C ATOM 1069 C LEU A 66 9.326 5.262 2.524 1.00 0.00 C ATOM 1070 O LEU A 66 10.552 5.421 2.510 1.00 0.00 O ATOM 1071 CB LEU A 66 9.394 2.838 3.356 1.00 0.00 C ATOM 1072 CG LEU A 66 9.072 3.043 4.871 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.570 2.828 5.152 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.945 2.127 5.761 1.00 0.00 C ATOM 0 H LEU A 66 9.877 3.077 0.798 1.00 0.00 H new ATOM 0 HA LEU A 66 7.664 3.886 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.089 1.831 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.475 2.893 3.224 1.00 0.00 H new ATOM 0 HG LEU A 66 9.315 4.075 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.374 2.977 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.985 3.542 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.289 1.814 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.696 2.294 6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.757 1.084 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.998 2.356 5.597 1.00 0.00 H new ATOM 1086 N THR A 67 8.454 6.279 2.622 1.00 0.00 N ATOM 1087 CA THR A 67 8.867 7.696 2.693 1.00 0.00 C ATOM 1088 C THR A 67 9.172 8.104 4.149 1.00 0.00 C ATOM 1089 O THR A 67 10.128 8.836 4.411 1.00 0.00 O ATOM 1090 CB THR A 67 7.752 8.618 2.102 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.481 8.266 2.681 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.667 8.508 0.572 1.00 0.00 C ATOM 0 H THR A 67 7.443 6.145 2.654 1.00 0.00 H new ATOM 0 HA THR A 67 9.775 7.815 2.102 1.00 0.00 H new ATOM 0 HB THR A 67 8.007 9.649 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.038 9.074 3.013 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.879 9.165 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.620 8.802 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.441 7.479 0.293 1.00 0.00 H new ATOM 1100 N SER A 68 8.336 7.622 5.085 1.00 0.00 N ATOM 1101 CA SER A 68 8.484 7.872 6.528 1.00 0.00 C ATOM 1102 C SER A 68 8.091 6.573 7.294 1.00 0.00 C ATOM 1103 O SER A 68 7.415 5.738 6.696 1.00 0.00 O ATOM 1104 CB SER A 68 7.643 9.123 6.909 1.00 0.00 C ATOM 1105 OG SER A 68 6.337 9.045 6.406 1.00 0.00 O ATOM 0 H SER A 68 7.529 7.041 4.857 1.00 0.00 H new ATOM 0 HA SER A 68 9.512 8.101 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.609 9.222 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.129 10.019 6.522 1.00 0.00 H new ATOM 0 HG SER A 68 5.838 9.847 6.666 1.00 0.00 H new ATOM 1111 N PRO A 69 8.512 6.389 8.609 1.00 0.00 N ATOM 1112 CA PRO A 69 8.430 5.109 9.395 1.00 0.00 C ATOM 1113 C PRO A 69 7.373 4.047 8.950 1.00 0.00 C ATOM 1114 O PRO A 69 7.747 2.989 8.435 1.00 0.00 O ATOM 1115 CB PRO A 69 8.149 5.646 10.820 1.00 0.00 C ATOM 1116 CG PRO A 69 8.910 6.951 10.907 1.00 0.00 C ATOM 1117 CD PRO A 69 9.144 7.439 9.474 1.00 0.00 C ATOM 0 HA PRO A 69 9.340 4.522 9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.082 5.801 10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.486 4.942 11.580 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.344 7.688 11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.859 6.809 11.424 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.689 8.416 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.208 7.542 9.259 1.00 0.00 H new ATOM 1125 N ALA A 70 6.073 4.326 9.169 1.00 0.00 N ATOM 1126 CA ALA A 70 4.961 3.424 8.777 1.00 0.00 C ATOM 1127 C ALA A 70 4.064 4.100 7.719 1.00 0.00 C ATOM 1128 O ALA A 70 2.833 4.000 7.768 1.00 0.00 O ATOM 1129 CB ALA A 70 4.161 3.038 10.046 1.00 0.00 C ATOM 0 H ALA A 70 5.759 5.184 9.623 1.00 0.00 H new ATOM 0 HA ALA A 70 5.359 2.516 8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.341 2.375 9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.819 2.529 10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.760 3.938 10.511 1.00 0.00 H new ATOM 1135 N THR A 71 4.692 4.775 6.749 1.00 0.00 N ATOM 1136 CA THR A 71 3.992 5.520 5.686 1.00 0.00 C ATOM 1137 C THR A 71 4.559 5.131 4.315 1.00 0.00 C ATOM 1138 O THR A 71 5.768 5.263 4.068 1.00 0.00 O ATOM 1139 CB THR A 71 4.133 7.057 5.878 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.662 7.439 7.174 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.380 7.867 4.804 1.00 0.00 C ATOM 0 H THR A 71 5.708 4.822 6.676 1.00 0.00 H new ATOM 0 HA THR A 71 2.935 5.261 5.742 1.00 0.00 H new ATOM 0 HB THR A 71 5.194 7.286 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.757 8.408 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.515 8.932 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.773 7.618 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.318 7.624 4.843 1.00 0.00 H new ATOM 1149 N TRP A 72 3.670 4.713 3.414 1.00 0.00 N ATOM 1150 CA TRP A 72 4.035 4.186 2.099 1.00 0.00 C ATOM 1151 C TRP A 72 3.500 5.121 1.015 1.00 0.00 C ATOM 1152 O TRP A 72 2.371 5.591 1.096 1.00 0.00 O ATOM 1153 CB TRP A 72 3.463 2.757 1.924 1.00 0.00 C ATOM 1154 CG TRP A 72 4.047 1.761 2.896 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.642 1.511 4.182 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.163 0.897 2.657 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.427 0.538 4.741 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.368 0.143 3.824 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.002 0.682 1.561 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.379 -0.806 3.926 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.002 -0.257 1.660 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.185 -0.993 2.834 1.00 0.00 C ATOM 0 H TRP A 72 2.664 4.731 3.579 1.00 0.00 H new ATOM 0 HA TRP A 72 5.120 4.130 2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.381 2.787 2.051 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.655 2.418 0.906 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.824 2.009 4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.328 0.167 5.686 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.867 1.245 0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.524 -1.375 4.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.656 -0.428 0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.978 -1.724 2.881 1.00 0.00 H new ATOM 1173 N CYS A 73 4.329 5.404 0.013 1.00 0.00 N ATOM 1174 CA CYS A 73 3.935 6.210 -1.150 1.00 0.00 C ATOM 1175 C CYS A 73 4.058 5.361 -2.408 1.00 0.00 C ATOM 1176 O CYS A 73 4.574 4.229 -2.362 1.00 0.00 O ATOM 1177 CB CYS A 73 4.808 7.471 -1.265 1.00 0.00 C ATOM 1178 SG CYS A 73 4.230 8.665 -2.495 1.00 0.00 S ATOM 0 H CYS A 73 5.296 5.082 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 73 2.901 6.533 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.849 7.960 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.826 7.173 -1.515 1.00 0.00 H new ATOM 0 HG CYS A 73 5.029 9.690 -2.514 1.00 0.00 H new ATOM 1184 N LEU A 74 3.565 5.907 -3.523 1.00 0.00 N ATOM 1185 CA LEU A 74 3.733 5.295 -4.834 1.00 0.00 C ATOM 1186 C LEU A 74 5.222 5.389 -5.221 1.00 0.00 C ATOM 1187 O LEU A 74 5.718 6.480 -5.527 1.00 0.00 O ATOM 1188 CB LEU A 74 2.820 5.995 -5.881 1.00 0.00 C ATOM 1189 CG LEU A 74 2.771 5.333 -7.290 1.00 0.00 C ATOM 1190 CD1 LEU A 74 2.224 3.894 -7.210 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.970 6.197 -8.289 1.00 0.00 C ATOM 0 H LEU A 74 3.041 6.782 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 74 3.436 4.247 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.806 6.033 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.156 7.026 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 74 3.792 5.271 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.201 3.457 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.868 3.295 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.215 3.911 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.955 5.707 -9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.949 6.318 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.441 7.176 -8.382 1.00 0.00 H new ATOM 1203 N GLY A 75 5.925 4.243 -5.125 1.00 0.00 N ATOM 1204 CA GLY A 75 7.357 4.164 -5.417 1.00 0.00 C ATOM 1205 C GLY A 75 7.630 4.355 -6.891 1.00 0.00 C ATOM 1206 O GLY A 75 8.434 5.210 -7.287 1.00 0.00 O ATOM 0 H GLY A 75 5.512 3.354 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.889 4.924 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.743 3.196 -5.096 1.00 0.00 H new ATOM 1210 N GLY A 76 6.918 3.560 -7.704 1.00 0.00 N ATOM 1211 CA GLY A 76 6.949 3.687 -9.161 1.00 0.00 C ATOM 1212 C GLY A 76 5.976 4.737 -9.664 1.00 0.00 C ATOM 1213 O GLY A 76 5.624 5.668 -8.926 1.00 0.00 O ATOM 0 H GLY A 76 6.308 2.815 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.958 3.946 -9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.709 2.725 -9.613 1.00 0.00 H new ATOM 1217 N THR A 77 5.545 4.601 -10.924 1.00 0.00 N ATOM 1218 CA THR A 77 4.617 5.539 -11.560 1.00 0.00 C ATOM 1219 C THR A 77 4.113 4.971 -12.886 1.00 0.00 C ATOM 1220 O THR A 77 4.661 3.997 -13.412 1.00 0.00 O ATOM 1221 CB THR A 77 5.284 6.945 -11.792 1.00 0.00 C ATOM 1222 OG1 THR A 77 4.355 7.852 -12.412 1.00 0.00 O ATOM 1223 CG2 THR A 77 6.579 6.862 -12.627 1.00 0.00 C ATOM 0 H THR A 77 5.832 3.834 -11.532 1.00 0.00 H new ATOM 0 HA THR A 77 3.772 5.677 -10.885 1.00 0.00 H new ATOM 0 HB THR A 77 5.559 7.323 -10.808 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.787 8.721 -12.547 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.994 7.862 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.304 6.231 -12.113 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.355 6.435 -13.604 1.00 0.00 H new ATOM 1231 N ASP A 78 3.049 5.592 -13.414 1.00 0.00 N ATOM 1232 CA ASP A 78 2.465 5.249 -14.720 1.00 0.00 C ATOM 1233 C ASP A 78 2.258 6.541 -15.527 1.00 0.00 C ATOM 1234 O ASP A 78 1.683 7.494 -14.990 1.00 0.00 O ATOM 1235 CB ASP A 78 1.120 4.499 -14.541 1.00 0.00 C ATOM 1236 CG ASP A 78 1.307 3.049 -14.069 1.00 0.00 C ATOM 1237 OD1 ASP A 78 1.466 2.824 -12.853 1.00 0.00 O ATOM 1238 OD2 ASP A 78 1.326 2.130 -14.918 1.00 0.00 O ATOM 0 H ASP A 78 2.564 6.355 -12.942 1.00 0.00 H new ATOM 0 HA ASP A 78 3.144 4.587 -15.257 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.503 5.035 -13.819 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.579 4.502 -15.487 1.00 0.00 H new ATOM 1243 N PRO A 79 2.758 6.623 -16.805 1.00 0.00 N ATOM 1244 CA PRO A 79 2.541 7.796 -17.687 1.00 0.00 C ATOM 1245 C PRO A 79 1.072 7.898 -18.161 1.00 0.00 C ATOM 1246 O PRO A 79 0.724 7.491 -19.277 1.00 0.00 O ATOM 1247 CB PRO A 79 3.535 7.569 -18.871 1.00 0.00 C ATOM 1248 CG PRO A 79 4.443 6.452 -18.416 1.00 0.00 C ATOM 1249 CD PRO A 79 3.603 5.606 -17.488 1.00 0.00 C ATOM 0 HA PRO A 79 2.723 8.742 -17.176 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.005 7.298 -19.784 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.102 8.474 -19.088 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.802 5.868 -19.263 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.322 6.844 -17.903 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.002 4.879 -18.034 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.216 5.047 -16.782 1.00 0.00 H new ATOM 1257 N GLU A 80 0.234 8.416 -17.263 1.00 0.00 N ATOM 1258 CA GLU A 80 -1.204 8.598 -17.475 1.00 0.00 C ATOM 1259 C GLU A 80 -1.688 9.583 -16.384 1.00 0.00 C ATOM 1260 O GLU A 80 -1.853 10.783 -16.680 1.00 0.00 O ATOM 1261 CB GLU A 80 -1.962 7.223 -17.409 1.00 0.00 C ATOM 1262 CG GLU A 80 -3.353 7.171 -18.098 1.00 0.00 C ATOM 1263 CD GLU A 80 -4.438 8.069 -17.458 1.00 0.00 C ATOM 1264 OE1 GLU A 80 -5.054 7.649 -16.454 1.00 0.00 O ATOM 1265 OE2 GLU A 80 -4.691 9.186 -17.975 1.00 0.00 O ATOM 1266 OXT GLU A 80 -1.840 9.162 -15.214 1.00 0.00 O ATOM 0 H GLU A 80 0.544 8.729 -16.343 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.411 9.001 -18.466 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.328 6.460 -17.861 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.089 6.952 -16.361 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.235 7.460 -19.142 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.706 6.140 -18.090 1.00 0.00 H new TER 1273 GLU A 80