USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 66 ASN : amide:sc= -0.191 K(o=-0.66,f=1.8) USER MOD Set 1.2: A 71 CYS SG : rot 125:sc= -0.47 USER MOD Set 2.1: A 63 GLN : amide:sc= -2.19 K(o=-1.2,f=-6.1!) USER MOD Set 2.2: A 70 TYR OH : rot -65:sc= 0.991 USER MOD Set 3.1: A 9 THR OG1 : rot 35:sc= 0.948 USER MOD Set 3.2: A 41 SER OG : rot -110:sc= 0.602 USER MOD Set 4.1: A 8 SER OG : rot -169:sc= -2.16 USER MOD Set 4.2: A 21 GLN : amide:sc= -3.15 K(o=-5.3,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 130:sc= 0.285 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.134 K(o=0.13,f=-0.55) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -75:sc= -0.0294 USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -2.66! (180deg=-6.56!) USER MOD Single : A 34 GLN : amide:sc= -0.593 K(o=-0.59,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0604 K(o=-0.06,f=-0.63) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.393 K(o=-0.39,f=-3.5!) USER MOD Single : A 50 MET CE :methyl 158:sc= -2.52 (180deg=-5.18!) USER MOD Single : A 56 ASN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.0354 (180deg=-0.266) USER MOD Single : A 60 THR OG1 : rot -169:sc= -1.74 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 83 GLN : amide:sc= 0.128 K(o=0.13,f=-0.43) USER MOD Single : A 84 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 87 GLN : amide:sc= -2.16 X(o=-2.2,f=-1.9) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.240 2.437 -1.647 1.00 0.00 N ATOM 2 CA MET A 1 19.258 1.615 -2.885 1.00 0.00 C ATOM 3 C MET A 1 17.882 1.023 -3.174 1.00 0.00 C ATOM 4 O MET A 1 17.327 1.216 -4.255 1.00 0.00 O ATOM 5 CB MET A 1 20.289 0.497 -2.712 1.00 0.00 C ATOM 6 CG MET A 1 21.079 0.198 -3.976 1.00 0.00 C ATOM 7 SD MET A 1 20.172 -0.848 -5.131 1.00 0.00 S ATOM 8 CE MET A 1 21.264 -0.812 -6.549 1.00 0.00 C ATOM 0 H1 MET A 1 20.189 2.827 -1.475 1.00 0.00 H new ATOM 0 H2 MET A 1 18.560 3.216 -1.758 1.00 0.00 H new ATOM 0 H3 MET A 1 18.958 1.844 -0.841 1.00 0.00 H new ATOM 0 HA MET A 1 19.527 2.247 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.982 0.773 -1.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.778 -0.410 -2.389 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.339 1.135 -4.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.015 -0.291 -3.707 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.839 -1.416 -7.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.381 0.216 -6.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.237 -1.214 -6.269 1.00 0.00 H new ATOM 20 N SER A 2 17.338 0.301 -2.199 1.00 0.00 N ATOM 21 CA SER A 2 16.026 -0.319 -2.348 1.00 0.00 C ATOM 22 C SER A 2 15.095 0.099 -1.215 1.00 0.00 C ATOM 23 O SER A 2 15.423 -0.058 -0.039 1.00 0.00 O ATOM 24 CB SER A 2 16.160 -1.843 -2.378 1.00 0.00 C ATOM 25 OG SER A 2 17.327 -2.239 -3.077 1.00 0.00 O ATOM 0 H SER A 2 17.785 0.131 -1.298 1.00 0.00 H new ATOM 0 HA SER A 2 15.596 0.020 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.195 -2.228 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.282 -2.279 -2.854 1.00 0.00 H new ATOM 0 HG SER A 2 17.390 -3.217 -3.081 1.00 0.00 H new ATOM 31 N GLY A 3 13.932 0.631 -1.577 1.00 0.00 N ATOM 32 CA GLY A 3 12.972 1.063 -0.579 1.00 0.00 C ATOM 33 C GLY A 3 11.546 1.025 -1.091 1.00 0.00 C ATOM 34 O GLY A 3 11.314 0.906 -2.294 1.00 0.00 O ATOM 0 H GLY A 3 13.638 0.770 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 3 13.056 0.425 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.214 2.077 -0.262 1.00 0.00 H new ATOM 38 N LEU A 4 10.588 1.128 -0.175 1.00 0.00 N ATOM 39 CA LEU A 4 9.177 1.106 -0.539 1.00 0.00 C ATOM 40 C LEU A 4 8.335 1.818 0.513 1.00 0.00 C ATOM 41 O LEU A 4 8.648 1.777 1.703 1.00 0.00 O ATOM 42 CB LEU A 4 8.693 -0.336 -0.706 1.00 0.00 C ATOM 43 CG LEU A 4 9.069 -0.997 -2.034 1.00 0.00 C ATOM 44 CD1 LEU A 4 10.295 -1.881 -1.863 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.900 -1.805 -2.580 1.00 0.00 C ATOM 0 H LEU A 4 10.764 1.228 0.825 1.00 0.00 H new ATOM 0 HA LEU A 4 9.064 1.631 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.099 -0.936 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.608 -0.353 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 4 9.309 -0.212 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.547 -2.342 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.134 -1.276 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.083 -2.659 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.187 -2.267 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.628 -2.581 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.047 -1.146 -2.743 1.00 0.00 H new ATOM 57 N ARG A 5 7.266 2.470 0.069 1.00 0.00 N ATOM 58 CA ARG A 5 6.379 3.192 0.975 1.00 0.00 C ATOM 59 C ARG A 5 4.928 2.770 0.768 1.00 0.00 C ATOM 60 O ARG A 5 4.445 2.706 -0.362 1.00 0.00 O ATOM 61 CB ARG A 5 6.519 4.701 0.767 1.00 0.00 C ATOM 62 CG ARG A 5 6.332 5.137 -0.678 1.00 0.00 C ATOM 63 CD ARG A 5 7.392 6.143 -1.100 1.00 0.00 C ATOM 64 NE ARG A 5 7.442 7.294 -0.201 1.00 0.00 N ATOM 65 CZ ARG A 5 8.488 8.111 -0.100 1.00 0.00 C ATOM 66 NH1 ARG A 5 9.571 7.911 -0.841 1.00 0.00 N ATOM 67 NH2 ARG A 5 8.450 9.134 0.743 1.00 0.00 N ATOM 0 H ARG A 5 6.992 2.514 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 5 6.667 2.946 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.787 5.215 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.505 5.016 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.377 4.265 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.342 5.577 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.367 5.656 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.185 6.484 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 5 6.628 7.482 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.605 7.127 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.369 8.541 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.620 9.294 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.251 9.761 0.821 1.00 0.00 H new ATOM 81 N VAL A 6 4.238 2.485 1.868 1.00 0.00 N ATOM 82 CA VAL A 6 2.842 2.070 1.809 1.00 0.00 C ATOM 83 C VAL A 6 1.938 3.086 2.497 1.00 0.00 C ATOM 84 O VAL A 6 2.115 3.392 3.676 1.00 0.00 O ATOM 85 CB VAL A 6 2.637 0.691 2.464 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.223 0.187 2.218 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.664 -0.304 1.944 1.00 0.00 C ATOM 0 H VAL A 6 4.624 2.534 2.811 1.00 0.00 H new ATOM 0 HA VAL A 6 2.576 2.005 0.754 1.00 0.00 H new ATOM 0 HB VAL A 6 2.778 0.795 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.097 -0.788 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.507 0.890 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.050 0.098 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.504 -1.273 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.557 -0.406 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.667 0.053 2.178 1.00 0.00 H new ATOM 97 N TYR A 7 0.967 3.606 1.753 1.00 0.00 N ATOM 98 CA TYR A 7 0.034 4.588 2.292 1.00 0.00 C ATOM 99 C TYR A 7 -1.074 3.908 3.086 1.00 0.00 C ATOM 100 O TYR A 7 -1.542 2.830 2.721 1.00 0.00 O ATOM 101 CB TYR A 7 -0.575 5.421 1.161 1.00 0.00 C ATOM 102 CG TYR A 7 0.336 6.513 0.647 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.358 7.766 1.247 1.00 0.00 C ATOM 104 CD2 TYR A 7 1.173 6.292 -0.440 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.187 8.767 0.779 1.00 0.00 C ATOM 106 CE2 TYR A 7 2.005 7.289 -0.914 1.00 0.00 C ATOM 107 CZ TYR A 7 2.008 8.524 -0.301 1.00 0.00 C ATOM 108 OH TYR A 7 2.835 9.519 -0.771 1.00 0.00 O ATOM 0 H TYR A 7 0.806 3.364 0.775 1.00 0.00 H new ATOM 0 HA TYR A 7 0.588 5.245 2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.835 4.759 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.503 5.871 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.284 7.961 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.174 5.326 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.192 9.735 1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.649 7.102 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 7 3.348 9.184 -1.536 1.00 0.00 H new ATOM 118 N SER A 8 -1.489 4.547 4.174 1.00 0.00 N ATOM 119 CA SER A 8 -2.546 4.005 5.021 1.00 0.00 C ATOM 120 C SER A 8 -3.169 5.101 5.881 1.00 0.00 C ATOM 121 O SER A 8 -2.634 6.204 5.982 1.00 0.00 O ATOM 122 CB SER A 8 -1.993 2.883 5.906 1.00 0.00 C ATOM 123 OG SER A 8 -2.733 2.763 7.110 1.00 0.00 O ATOM 0 H SER A 8 -1.110 5.440 4.490 1.00 0.00 H new ATOM 0 HA SER A 8 -3.324 3.594 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.024 1.939 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.947 3.082 6.138 1.00 0.00 H new ATOM 0 HG SER A 8 -2.260 2.166 7.727 1.00 0.00 H new ATOM 129 N THR A 9 -4.305 4.789 6.497 1.00 0.00 N ATOM 130 CA THR A 9 -5.001 5.748 7.347 1.00 0.00 C ATOM 131 C THR A 9 -4.920 5.339 8.813 1.00 0.00 C ATOM 132 O THR A 9 -5.550 4.368 9.233 1.00 0.00 O ATOM 133 CB THR A 9 -6.465 5.870 6.920 1.00 0.00 C ATOM 134 OG1 THR A 9 -7.165 6.754 7.777 1.00 0.00 O ATOM 135 CG2 THR A 9 -7.201 4.548 6.923 1.00 0.00 C ATOM 0 H THR A 9 -4.763 3.880 6.423 1.00 0.00 H new ATOM 0 HA THR A 9 -4.513 6.716 7.233 1.00 0.00 H new ATOM 0 HB THR A 9 -6.438 6.250 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.566 7.476 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.233 4.706 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.714 3.859 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.186 4.126 7.928 1.00 0.00 H new ATOM 143 N SER A 10 -4.142 6.086 9.589 1.00 0.00 N ATOM 144 CA SER A 10 -3.980 5.800 11.010 1.00 0.00 C ATOM 145 C SER A 10 -5.245 6.158 11.783 1.00 0.00 C ATOM 146 O SER A 10 -5.669 5.422 12.675 1.00 0.00 O ATOM 147 CB SER A 10 -2.787 6.574 11.575 1.00 0.00 C ATOM 148 OG SER A 10 -2.835 6.625 12.990 1.00 0.00 O ATOM 0 H SER A 10 -3.614 6.894 9.258 1.00 0.00 H new ATOM 0 HA SER A 10 -3.796 4.731 11.122 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.859 6.100 11.257 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.783 7.587 11.172 1.00 0.00 H new ATOM 0 HG SER A 10 -2.061 7.124 13.326 1.00 0.00 H new ATOM 154 N VAL A 11 -5.844 7.292 11.436 1.00 0.00 N ATOM 155 CA VAL A 11 -7.061 7.747 12.097 1.00 0.00 C ATOM 156 C VAL A 11 -8.243 6.847 11.751 1.00 0.00 C ATOM 157 O VAL A 11 -9.129 6.627 12.577 1.00 0.00 O ATOM 158 CB VAL A 11 -7.404 9.199 11.708 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.584 9.707 12.522 1.00 0.00 C ATOM 160 CG2 VAL A 11 -6.193 10.102 11.893 1.00 0.00 C ATOM 0 H VAL A 11 -5.506 7.913 10.701 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.874 7.701 13.170 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.685 9.216 10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.811 10.733 12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.453 9.077 12.335 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.335 9.675 13.583 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.454 11.123 11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.879 10.081 12.937 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.377 9.750 11.262 1.00 0.00 H new ATOM 170 N THR A 12 -8.247 6.331 10.523 1.00 0.00 N ATOM 171 CA THR A 12 -9.317 5.451 10.055 1.00 0.00 C ATOM 172 C THR A 12 -10.694 6.000 10.426 1.00 0.00 C ATOM 173 O THR A 12 -10.823 7.153 10.839 1.00 0.00 O ATOM 174 CB THR A 12 -9.139 4.043 10.630 1.00 0.00 C ATOM 175 OG1 THR A 12 -10.051 3.139 10.032 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.339 3.972 12.129 1.00 0.00 C ATOM 0 H THR A 12 -7.518 6.508 9.832 1.00 0.00 H new ATOM 0 HA THR A 12 -9.255 5.403 8.968 1.00 0.00 H new ATOM 0 HB THR A 12 -8.107 3.772 10.407 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.568 2.345 9.721 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.198 2.945 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.615 4.620 12.624 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.348 4.300 12.377 1.00 0.00 H new ATOM 184 N GLY A 13 -11.718 5.167 10.276 1.00 0.00 N ATOM 185 CA GLY A 13 -13.069 5.586 10.599 1.00 0.00 C ATOM 186 C GLY A 13 -14.062 4.442 10.537 1.00 0.00 C ATOM 187 O GLY A 13 -14.869 4.261 11.448 1.00 0.00 O ATOM 0 H GLY A 13 -11.636 4.209 9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.082 6.020 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.378 6.369 9.907 1.00 0.00 H new ATOM 191 N SER A 14 -14.003 3.669 9.457 1.00 0.00 N ATOM 192 CA SER A 14 -14.905 2.536 9.279 1.00 0.00 C ATOM 193 C SER A 14 -14.424 1.328 10.078 1.00 0.00 C ATOM 194 O SER A 14 -13.546 1.446 10.933 1.00 0.00 O ATOM 195 CB SER A 14 -15.014 2.176 7.795 1.00 0.00 C ATOM 196 OG SER A 14 -16.340 2.349 7.324 1.00 0.00 O ATOM 0 H SER A 14 -13.341 3.806 8.693 1.00 0.00 H new ATOM 0 HA SER A 14 -15.890 2.822 9.649 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.334 2.801 7.215 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.703 1.142 7.645 1.00 0.00 H new ATOM 0 HG SER A 14 -16.383 2.114 6.373 1.00 0.00 H new ATOM 202 N ARG A 15 -15.005 0.166 9.794 1.00 0.00 N ATOM 203 CA ARG A 15 -14.635 -1.065 10.487 1.00 0.00 C ATOM 204 C ARG A 15 -13.866 -2.005 9.576 1.00 0.00 C ATOM 205 O ARG A 15 -13.235 -2.962 10.025 1.00 0.00 O ATOM 206 CB ARG A 15 -15.879 -1.766 11.025 1.00 0.00 C ATOM 207 CG ARG A 15 -16.633 -0.956 12.067 1.00 0.00 C ATOM 208 CD ARG A 15 -17.742 -1.773 12.711 1.00 0.00 C ATOM 209 NE ARG A 15 -17.337 -2.323 14.002 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.081 -3.165 14.715 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.268 -3.555 14.268 1.00 0.00 N ATOM 212 NH2 ARG A 15 -17.637 -3.618 15.880 1.00 0.00 N ATOM 0 H ARG A 15 -15.733 0.050 9.089 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.987 -0.793 11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.549 -1.987 10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.587 -2.721 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.939 -0.613 12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.058 -0.067 11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.624 -1.146 12.844 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.027 -2.586 12.044 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.431 -2.045 14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.615 -3.209 13.373 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.834 -4.201 14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.726 -3.321 16.229 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.207 -4.263 16.427 1.00 0.00 H new ATOM 226 N GLU A 16 -13.927 -1.708 8.303 1.00 0.00 N ATOM 227 CA GLU A 16 -13.243 -2.495 7.284 1.00 0.00 C ATOM 228 C GLU A 16 -11.944 -1.814 6.868 1.00 0.00 C ATOM 229 O GLU A 16 -10.970 -2.475 6.506 1.00 0.00 O ATOM 230 CB GLU A 16 -14.146 -2.688 6.064 1.00 0.00 C ATOM 231 CG GLU A 16 -15.550 -3.155 6.415 1.00 0.00 C ATOM 232 CD GLU A 16 -16.619 -2.447 5.607 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.560 -2.508 4.361 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.515 -1.830 6.220 1.00 0.00 O ATOM 0 H GLU A 16 -14.451 -0.914 7.934 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.008 -3.472 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.211 -1.747 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.687 -3.415 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.624 -4.229 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.730 -2.986 7.477 1.00 0.00 H new ATOM 241 N ILE A 17 -11.940 -0.486 6.926 1.00 0.00 N ATOM 242 CA ILE A 17 -10.767 0.295 6.561 1.00 0.00 C ATOM 243 C ILE A 17 -9.577 -0.060 7.448 1.00 0.00 C ATOM 244 O ILE A 17 -8.429 -0.027 7.006 1.00 0.00 O ATOM 245 CB ILE A 17 -11.050 1.808 6.672 1.00 0.00 C ATOM 246 CG1 ILE A 17 -12.262 2.184 5.817 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.829 2.617 6.254 1.00 0.00 C ATOM 248 CD1 ILE A 17 -12.044 1.975 4.334 1.00 0.00 C ATOM 0 H ILE A 17 -12.740 0.072 7.224 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.527 0.053 5.526 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.272 2.042 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.120 1.592 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.512 3.230 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.051 3.681 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.988 2.368 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.573 2.382 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.944 2.262 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.207 2.588 3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.824 0.925 4.143 1.00 0.00 H new ATOM 260 N LYS A 18 -9.861 -0.400 8.701 1.00 0.00 N ATOM 261 CA LYS A 18 -8.815 -0.763 9.650 1.00 0.00 C ATOM 262 C LYS A 18 -8.123 -2.055 9.230 1.00 0.00 C ATOM 263 O LYS A 18 -6.911 -2.202 9.385 1.00 0.00 O ATOM 264 CB LYS A 18 -9.403 -0.918 11.054 1.00 0.00 C ATOM 265 CG LYS A 18 -10.222 0.280 11.506 1.00 0.00 C ATOM 266 CD LYS A 18 -11.284 -0.121 12.517 1.00 0.00 C ATOM 267 CE LYS A 18 -11.690 1.054 13.393 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.567 0.630 14.519 1.00 0.00 N ATOM 0 H LYS A 18 -10.806 -0.432 9.083 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.075 0.037 9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.032 -1.808 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.591 -1.081 11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.562 1.028 11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.697 0.744 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.159 -0.506 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.906 -0.929 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.797 1.536 13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.210 1.796 12.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.822 1.460 15.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.431 0.193 14.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.062 -0.059 15.112 1.00 0.00 H new ATOM 282 N SER A 19 -8.903 -2.991 8.697 1.00 0.00 N ATOM 283 CA SER A 19 -8.367 -4.272 8.253 1.00 0.00 C ATOM 284 C SER A 19 -7.461 -4.093 7.039 1.00 0.00 C ATOM 285 O SER A 19 -6.522 -4.863 6.834 1.00 0.00 O ATOM 286 CB SER A 19 -9.506 -5.235 7.916 1.00 0.00 C ATOM 287 OG SER A 19 -9.019 -6.391 7.257 1.00 0.00 O ATOM 0 H SER A 19 -9.909 -2.886 8.562 1.00 0.00 H new ATOM 0 HA SER A 19 -7.774 -4.691 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.024 -5.525 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.236 -4.732 7.282 1.00 0.00 H new ATOM 0 HG SER A 19 -9.767 -6.991 7.054 1.00 0.00 H new ATOM 293 N GLN A 20 -7.749 -3.074 6.236 1.00 0.00 N ATOM 294 CA GLN A 20 -6.960 -2.795 5.041 1.00 0.00 C ATOM 295 C GLN A 20 -5.499 -2.540 5.398 1.00 0.00 C ATOM 296 O GLN A 20 -4.596 -2.859 4.626 1.00 0.00 O ATOM 297 CB GLN A 20 -7.533 -1.588 4.296 1.00 0.00 C ATOM 298 CG GLN A 20 -9.029 -1.681 4.044 1.00 0.00 C ATOM 299 CD GLN A 20 -9.424 -2.968 3.346 1.00 0.00 C ATOM 300 OE1 GLN A 20 -8.703 -3.467 2.483 1.00 0.00 O ATOM 301 NE2 GLN A 20 -10.576 -3.514 3.719 1.00 0.00 N ATOM 0 H GLN A 20 -8.523 -2.428 6.391 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.008 -3.670 4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.325 -0.685 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.018 -1.483 3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.559 -1.610 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.345 -0.832 3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.143 -3.066 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.894 -4.381 3.285 1.00 0.00 H new ATOM 310 N GLN A 21 -5.275 -1.962 6.574 1.00 0.00 N ATOM 311 CA GLN A 21 -3.923 -1.664 7.033 1.00 0.00 C ATOM 312 C GLN A 21 -3.296 -2.881 7.706 1.00 0.00 C ATOM 313 O GLN A 21 -2.178 -3.279 7.376 1.00 0.00 O ATOM 314 CB GLN A 21 -3.940 -0.483 8.005 1.00 0.00 C ATOM 315 CG GLN A 21 -4.799 0.679 7.535 1.00 0.00 C ATOM 316 CD GLN A 21 -5.062 1.690 8.634 1.00 0.00 C ATOM 317 OE1 GLN A 21 -4.136 2.307 9.161 1.00 0.00 O ATOM 318 NE2 GLN A 21 -6.331 1.865 8.985 1.00 0.00 N ATOM 0 H GLN A 21 -6.011 -1.691 7.226 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.321 -1.401 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.305 -0.825 8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.919 -0.132 8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.306 1.176 6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.749 0.297 7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.067 1.332 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.570 2.532 9.718 1.00 0.00 H new ATOM 327 N SER A 22 -4.023 -3.469 8.651 1.00 0.00 N ATOM 328 CA SER A 22 -3.538 -4.640 9.371 1.00 0.00 C ATOM 329 C SER A 22 -3.277 -5.799 8.414 1.00 0.00 C ATOM 330 O SER A 22 -2.402 -6.631 8.655 1.00 0.00 O ATOM 331 CB SER A 22 -4.549 -5.063 10.438 1.00 0.00 C ATOM 332 OG SER A 22 -4.264 -4.449 11.683 1.00 0.00 O ATOM 0 H SER A 22 -4.950 -3.153 8.936 1.00 0.00 H new ATOM 0 HA SER A 22 -2.598 -4.374 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.555 -4.793 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.531 -6.147 10.551 1.00 0.00 H new ATOM 0 HG SER A 22 -4.925 -4.734 12.347 1.00 0.00 H new ATOM 338 N GLU A 23 -4.042 -5.849 7.328 1.00 0.00 N ATOM 339 CA GLU A 23 -3.894 -6.907 6.336 1.00 0.00 C ATOM 340 C GLU A 23 -2.624 -6.709 5.513 1.00 0.00 C ATOM 341 O GLU A 23 -1.776 -7.598 5.439 1.00 0.00 O ATOM 342 CB GLU A 23 -5.113 -6.943 5.413 1.00 0.00 C ATOM 343 CG GLU A 23 -5.188 -8.194 4.553 1.00 0.00 C ATOM 344 CD GLU A 23 -5.557 -9.429 5.352 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.758 -9.611 5.642 1.00 0.00 O ATOM 346 OE2 GLU A 23 -4.645 -10.213 5.688 1.00 0.00 O ATOM 0 H GLU A 23 -4.771 -5.169 7.113 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.818 -7.857 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.018 -6.872 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.093 -6.067 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.924 -8.044 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.226 -8.354 4.067 1.00 0.00 H new ATOM 353 N VAL A 24 -2.500 -5.538 4.897 1.00 0.00 N ATOM 354 CA VAL A 24 -1.334 -5.224 4.079 1.00 0.00 C ATOM 355 C VAL A 24 -0.053 -5.284 4.905 1.00 0.00 C ATOM 356 O VAL A 24 0.997 -5.695 4.410 1.00 0.00 O ATOM 357 CB VAL A 24 -1.455 -3.828 3.438 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.292 -3.568 2.493 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.783 -3.687 2.710 1.00 0.00 C ATOM 0 H VAL A 24 -3.192 -4.791 4.949 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.290 -5.974 3.289 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.420 -3.082 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.397 -2.577 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.645 -3.621 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.290 -4.319 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.850 -2.695 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.851 -4.442 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.602 -3.823 3.417 1.00 0.00 H new ATOM 369 N THR A 25 -0.147 -4.872 6.164 1.00 0.00 N ATOM 370 CA THR A 25 1.005 -4.879 7.058 1.00 0.00 C ATOM 371 C THR A 25 1.345 -6.300 7.497 1.00 0.00 C ATOM 372 O THR A 25 2.513 -6.639 7.686 1.00 0.00 O ATOM 373 CB THR A 25 0.732 -4.005 8.283 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.363 -4.512 9.026 1.00 0.00 O ATOM 375 CG2 THR A 25 0.423 -2.565 7.934 1.00 0.00 C ATOM 0 H THR A 25 -1.009 -4.529 6.589 1.00 0.00 H new ATOM 0 HA THR A 25 1.858 -4.473 6.514 1.00 0.00 H new ATOM 0 HB THR A 25 1.652 -4.031 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.199 -4.310 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.239 -2.000 8.848 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.269 -2.130 7.403 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.463 -2.526 7.300 1.00 0.00 H new ATOM 383 N ARG A 26 0.316 -7.126 7.659 1.00 0.00 N ATOM 384 CA ARG A 26 0.506 -8.510 8.076 1.00 0.00 C ATOM 385 C ARG A 26 1.298 -9.290 7.031 1.00 0.00 C ATOM 386 O ARG A 26 2.153 -10.109 7.370 1.00 0.00 O ATOM 387 CB ARG A 26 -0.847 -9.183 8.315 1.00 0.00 C ATOM 388 CG ARG A 26 -0.734 -10.624 8.787 1.00 0.00 C ATOM 389 CD ARG A 26 -1.897 -11.007 9.688 1.00 0.00 C ATOM 390 NE ARG A 26 -1.859 -12.419 10.061 1.00 0.00 N ATOM 391 CZ ARG A 26 -2.551 -12.938 11.073 1.00 0.00 C ATOM 392 NH1 ARG A 26 -3.335 -12.165 11.815 1.00 0.00 N ATOM 393 NH2 ARG A 26 -2.458 -14.232 11.344 1.00 0.00 N ATOM 0 H ARG A 26 -0.657 -6.861 7.508 1.00 0.00 H new ATOM 0 HA ARG A 26 1.072 -8.508 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.403 -8.609 9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.425 -9.156 7.391 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.706 -11.290 7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.204 -10.760 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.875 -10.393 10.589 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.836 -10.792 9.179 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.267 -13.044 9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.409 -11.168 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.863 -12.568 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.856 -14.830 10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.988 -14.630 12.119 1.00 0.00 H new ATOM 407 N ILE A 27 1.008 -9.030 5.761 1.00 0.00 N ATOM 408 CA ILE A 27 1.693 -9.708 4.667 1.00 0.00 C ATOM 409 C ILE A 27 3.128 -9.210 4.526 1.00 0.00 C ATOM 410 O ILE A 27 4.072 -10.000 4.527 1.00 0.00 O ATOM 411 CB ILE A 27 0.957 -9.503 3.328 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.527 -9.844 3.479 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.592 -10.352 2.237 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.408 -9.179 2.444 1.00 0.00 C ATOM 0 H ILE A 27 0.304 -8.355 5.464 1.00 0.00 H new ATOM 0 HA ILE A 27 1.701 -10.771 4.909 1.00 0.00 H new ATOM 0 HB ILE A 27 1.043 -8.455 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.652 -10.925 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.860 -9.547 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.060 -10.195 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.637 -10.065 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.535 -11.404 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.446 -9.465 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.312 -8.096 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.101 -9.496 1.447 1.00 0.00 H new ATOM 426 N LEU A 28 3.283 -7.896 4.406 1.00 0.00 N ATOM 427 CA LEU A 28 4.603 -7.292 4.265 1.00 0.00 C ATOM 428 C LEU A 28 5.473 -7.597 5.481 1.00 0.00 C ATOM 429 O LEU A 28 6.637 -7.974 5.346 1.00 0.00 O ATOM 430 CB LEU A 28 4.477 -5.779 4.082 1.00 0.00 C ATOM 431 CG LEU A 28 3.770 -5.339 2.798 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.376 -3.873 2.882 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.661 -5.585 1.590 1.00 0.00 C ATOM 0 H LEU A 28 2.511 -7.229 4.404 1.00 0.00 H new ATOM 0 HA LEU A 28 5.079 -7.720 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.937 -5.369 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.475 -5.342 4.097 1.00 0.00 H new ATOM 0 HG LEU A 28 2.862 -5.932 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.875 -3.578 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.702 -3.725 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.269 -3.264 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.143 -5.267 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.585 -5.017 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.894 -6.648 1.520 1.00 0.00 H new ATOM 445 N ASP A 29 4.898 -7.432 6.668 1.00 0.00 N ATOM 446 CA ASP A 29 5.618 -7.692 7.909 1.00 0.00 C ATOM 447 C ASP A 29 6.078 -9.144 7.973 1.00 0.00 C ATOM 448 O ASP A 29 7.238 -9.426 8.270 1.00 0.00 O ATOM 449 CB ASP A 29 4.733 -7.370 9.115 1.00 0.00 C ATOM 450 CG ASP A 29 5.500 -7.414 10.422 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.332 -8.330 10.592 1.00 0.00 O ATOM 452 OD2 ASP A 29 5.267 -6.534 11.277 1.00 0.00 O ATOM 0 H ASP A 29 3.936 -7.119 6.796 1.00 0.00 H new ATOM 0 HA ASP A 29 6.497 -7.049 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.295 -6.380 8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.908 -8.081 9.157 1.00 0.00 H new ATOM 457 N GLY A 30 5.160 -10.063 7.687 1.00 0.00 N ATOM 458 CA GLY A 30 5.492 -11.475 7.712 1.00 0.00 C ATOM 459 C GLY A 30 6.616 -11.816 6.755 1.00 0.00 C ATOM 460 O GLY A 30 7.387 -12.745 6.995 1.00 0.00 O ATOM 0 H GLY A 30 4.193 -9.854 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.779 -11.761 8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.608 -12.059 7.455 1.00 0.00 H new ATOM 464 N LYS A 31 6.709 -11.058 5.667 1.00 0.00 N ATOM 465 CA LYS A 31 7.748 -11.277 4.668 1.00 0.00 C ATOM 466 C LYS A 31 9.089 -10.712 5.134 1.00 0.00 C ATOM 467 O LYS A 31 10.124 -10.960 4.515 1.00 0.00 O ATOM 468 CB LYS A 31 7.347 -10.637 3.337 1.00 0.00 C ATOM 469 CG LYS A 31 6.312 -11.438 2.564 1.00 0.00 C ATOM 470 CD LYS A 31 5.345 -10.531 1.822 1.00 0.00 C ATOM 471 CE LYS A 31 5.877 -10.154 0.449 1.00 0.00 C ATOM 472 NZ LYS A 31 4.977 -9.197 -0.253 1.00 0.00 N ATOM 0 H LYS A 31 6.077 -10.286 5.455 1.00 0.00 H new ATOM 0 HA LYS A 31 7.859 -12.352 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.953 -9.639 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.237 -10.516 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.815 -12.094 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.758 -12.077 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.383 -11.032 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.171 -9.628 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.868 -9.711 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.992 -11.054 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.049 -9.342 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.995 -9.357 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.257 -8.223 -0.021 1.00 0.00 H new ATOM 486 N ARG A 32 9.066 -9.950 6.226 1.00 0.00 N ATOM 487 CA ARG A 32 10.282 -9.352 6.770 1.00 0.00 C ATOM 488 C ARG A 32 10.811 -8.261 5.845 1.00 0.00 C ATOM 489 O ARG A 32 12.015 -8.162 5.608 1.00 0.00 O ATOM 490 CB ARG A 32 11.356 -10.422 6.986 1.00 0.00 C ATOM 491 CG ARG A 32 10.835 -11.678 7.666 1.00 0.00 C ATOM 492 CD ARG A 32 10.759 -11.503 9.174 1.00 0.00 C ATOM 493 NE ARG A 32 10.637 -12.783 9.868 1.00 0.00 N ATOM 494 CZ ARG A 32 9.505 -13.479 9.946 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.397 -13.024 9.375 1.00 0.00 N ATOM 496 NH2 ARG A 32 9.481 -14.635 10.597 1.00 0.00 N ATOM 0 H ARG A 32 8.219 -9.733 6.751 1.00 0.00 H new ATOM 0 HA ARG A 32 10.035 -8.901 7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.786 -10.693 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.161 -10.000 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.846 -11.921 7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.487 -12.519 7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.651 -10.984 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.905 -10.873 9.423 1.00 0.00 H new ATOM 0 HE ARG A 32 11.468 -13.166 10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.410 -12.136 8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.533 -13.562 9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.330 -14.990 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.614 -15.169 10.657 1.00 0.00 H new ATOM 510 N ILE A 33 9.902 -7.441 5.327 1.00 0.00 N ATOM 511 CA ILE A 33 10.276 -6.357 4.432 1.00 0.00 C ATOM 512 C ILE A 33 10.508 -5.066 5.207 1.00 0.00 C ATOM 513 O ILE A 33 10.030 -4.906 6.329 1.00 0.00 O ATOM 514 CB ILE A 33 9.195 -6.112 3.361 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.825 -7.424 2.668 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.676 -5.087 2.344 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.786 -7.260 1.580 1.00 0.00 C ATOM 0 H ILE A 33 8.901 -7.508 5.513 1.00 0.00 H new ATOM 0 HA ILE A 33 11.201 -6.657 3.940 1.00 0.00 H new ATOM 0 HB ILE A 33 8.305 -5.718 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.724 -7.864 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.452 -8.127 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.901 -4.926 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.893 -4.146 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.580 -5.454 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.572 -8.230 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.872 -6.849 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.165 -6.583 0.815 1.00 0.00 H new ATOM 529 N GLN A 34 11.244 -4.151 4.594 1.00 0.00 N ATOM 530 CA GLN A 34 11.546 -2.866 5.215 1.00 0.00 C ATOM 531 C GLN A 34 10.685 -1.761 4.612 1.00 0.00 C ATOM 532 O GLN A 34 11.128 -0.621 4.469 1.00 0.00 O ATOM 533 CB GLN A 34 13.028 -2.527 5.042 1.00 0.00 C ATOM 534 CG GLN A 34 13.961 -3.661 5.435 1.00 0.00 C ATOM 535 CD GLN A 34 14.542 -4.381 4.234 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.602 -4.013 3.728 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.848 -5.414 3.771 1.00 0.00 N ATOM 0 H GLN A 34 11.645 -4.273 3.664 1.00 0.00 H new ATOM 0 HA GLN A 34 11.322 -2.940 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.212 -2.260 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.264 -1.649 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.773 -3.264 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.418 -4.375 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.974 -5.684 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.189 -5.937 2.965 1.00 0.00 H new ATOM 546 N TYR A 35 9.454 -2.109 4.258 1.00 0.00 N ATOM 547 CA TYR A 35 8.526 -1.153 3.665 1.00 0.00 C ATOM 548 C TYR A 35 8.228 -0.006 4.627 1.00 0.00 C ATOM 549 O TYR A 35 8.349 -0.152 5.843 1.00 0.00 O ATOM 550 CB TYR A 35 7.224 -1.856 3.270 1.00 0.00 C ATOM 551 CG TYR A 35 6.394 -2.313 4.451 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.706 -3.482 5.133 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.301 -1.573 4.883 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.951 -3.902 6.212 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.542 -1.986 5.962 1.00 0.00 C ATOM 556 CZ TYR A 35 4.870 -3.150 6.622 1.00 0.00 C ATOM 557 OH TYR A 35 4.117 -3.564 7.697 1.00 0.00 O ATOM 0 H TYR A 35 9.074 -3.049 4.372 1.00 0.00 H new ATOM 0 HA TYR A 35 8.994 -0.737 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.627 -1.179 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.462 -2.720 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.552 -4.073 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.040 -0.660 4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.206 -4.814 6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.696 -1.399 6.286 1.00 0.00 H new ATOM 0 HH TYR A 35 3.394 -2.922 7.856 1.00 0.00 H new ATOM 567 N GLN A 36 7.834 1.134 4.069 1.00 0.00 N ATOM 568 CA GLN A 36 7.511 2.309 4.869 1.00 0.00 C ATOM 569 C GLN A 36 6.009 2.388 5.122 1.00 0.00 C ATOM 570 O GLN A 36 5.250 1.532 4.668 1.00 0.00 O ATOM 571 CB GLN A 36 7.992 3.580 4.163 1.00 0.00 C ATOM 572 CG GLN A 36 8.803 4.503 5.058 1.00 0.00 C ATOM 573 CD GLN A 36 8.284 5.928 5.052 1.00 0.00 C ATOM 574 OE1 GLN A 36 8.006 6.495 3.995 1.00 0.00 O ATOM 575 NE2 GLN A 36 8.151 6.515 6.236 1.00 0.00 N ATOM 0 H GLN A 36 7.731 1.269 3.063 1.00 0.00 H new ATOM 0 HA GLN A 36 8.021 2.223 5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.597 3.300 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.127 4.124 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.787 4.119 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.843 4.498 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.393 6.007 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.806 7.473 6.294 1.00 0.00 H new ATOM 584 N LEU A 37 5.583 3.421 5.840 1.00 0.00 N ATOM 585 CA LEU A 37 4.178 3.610 6.139 1.00 0.00 C ATOM 586 C LEU A 37 3.817 5.071 5.986 1.00 0.00 C ATOM 587 O LEU A 37 3.735 5.814 6.964 1.00 0.00 O ATOM 588 CB LEU A 37 3.865 3.132 7.552 1.00 0.00 C ATOM 589 CG LEU A 37 2.388 2.842 7.828 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.237 1.575 8.656 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.737 4.022 8.534 1.00 0.00 C ATOM 0 H LEU A 37 6.196 4.139 6.224 1.00 0.00 H new ATOM 0 HA LEU A 37 3.585 3.021 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.440 2.227 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.209 3.887 8.259 1.00 0.00 H new ATOM 0 HG LEU A 37 1.883 2.690 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.180 1.386 8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.667 0.733 8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.756 1.698 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.687 3.799 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.245 4.205 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.812 4.909 7.905 1.00 0.00 H new ATOM 603 N VAL A 38 3.613 5.477 4.746 1.00 0.00 N ATOM 604 CA VAL A 38 3.270 6.858 4.455 1.00 0.00 C ATOM 605 C VAL A 38 1.799 7.103 4.736 1.00 0.00 C ATOM 606 O VAL A 38 0.965 7.127 3.832 1.00 0.00 O ATOM 607 CB VAL A 38 3.591 7.246 2.995 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.054 7.639 2.860 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.248 6.115 2.036 1.00 0.00 C ATOM 0 H VAL A 38 3.678 4.873 3.927 1.00 0.00 H new ATOM 0 HA VAL A 38 3.881 7.484 5.106 1.00 0.00 H new ATOM 0 HB VAL A 38 2.974 8.105 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.264 7.910 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.263 8.491 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.685 6.799 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.485 6.418 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.828 5.229 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.185 5.886 2.109 1.00 0.00 H new ATOM 619 N ASP A 39 1.496 7.280 6.013 1.00 0.00 N ATOM 620 CA ASP A 39 0.126 7.520 6.451 1.00 0.00 C ATOM 621 C ASP A 39 -0.274 8.973 6.216 1.00 0.00 C ATOM 622 O ASP A 39 0.288 9.889 6.817 1.00 0.00 O ATOM 623 CB ASP A 39 -0.025 7.170 7.933 1.00 0.00 C ATOM 624 CG ASP A 39 -0.640 5.801 8.147 1.00 0.00 C ATOM 625 OD1 ASP A 39 -0.747 5.039 7.164 1.00 0.00 O ATOM 626 OD2 ASP A 39 -1.015 5.492 9.297 1.00 0.00 O ATOM 0 H ASP A 39 2.182 7.262 6.768 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.534 6.882 5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.953 7.204 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.645 7.923 8.419 1.00 0.00 H new ATOM 631 N ILE A 40 -1.248 9.173 5.334 1.00 0.00 N ATOM 632 CA ILE A 40 -1.728 10.511 5.010 1.00 0.00 C ATOM 633 C ILE A 40 -2.533 11.111 6.161 1.00 0.00 C ATOM 634 O ILE A 40 -2.749 12.322 6.211 1.00 0.00 O ATOM 635 CB ILE A 40 -2.598 10.502 3.738 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.801 9.574 3.920 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.772 10.077 2.532 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.753 9.581 2.744 1.00 0.00 C ATOM 0 H ILE A 40 -1.721 8.423 4.830 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.845 11.126 4.836 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.967 11.513 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.444 8.557 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.344 9.868 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.401 10.076 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.947 10.775 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.376 9.075 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.581 8.901 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.139 10.589 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.225 9.258 1.847 1.00 0.00 H new ATOM 650 N SER A 41 -2.975 10.261 7.084 1.00 0.00 N ATOM 651 CA SER A 41 -3.753 10.717 8.231 1.00 0.00 C ATOM 652 C SER A 41 -2.959 11.721 9.061 1.00 0.00 C ATOM 653 O SER A 41 -3.534 12.567 9.746 1.00 0.00 O ATOM 654 CB SER A 41 -4.161 9.527 9.101 1.00 0.00 C ATOM 655 OG SER A 41 -5.308 8.881 8.578 1.00 0.00 O ATOM 0 H SER A 41 -2.808 9.255 7.060 1.00 0.00 H new ATOM 0 HA SER A 41 -4.651 11.210 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.336 8.817 9.161 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.363 9.868 10.116 1.00 0.00 H new ATOM 0 HG SER A 41 -6.073 9.043 9.169 1.00 0.00 H new ATOM 661 N GLN A 42 -1.635 11.621 8.994 1.00 0.00 N ATOM 662 CA GLN A 42 -0.760 12.519 9.737 1.00 0.00 C ATOM 663 C GLN A 42 -1.009 13.971 9.344 1.00 0.00 C ATOM 664 O GLN A 42 -1.491 14.769 10.148 1.00 0.00 O ATOM 665 CB GLN A 42 0.704 12.156 9.482 1.00 0.00 C ATOM 666 CG GLN A 42 1.683 12.938 10.342 1.00 0.00 C ATOM 667 CD GLN A 42 3.031 13.118 9.672 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.494 14.242 9.473 1.00 0.00 O ATOM 669 NE2 GLN A 42 3.670 12.009 9.319 1.00 0.00 N ATOM 0 H GLN A 42 -1.145 10.926 8.432 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.980 12.407 10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.843 11.091 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.936 12.331 8.431 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.260 13.917 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.819 12.422 11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.250 11.098 9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.581 12.068 8.864 1.00 0.00 H new ATOM 678 N ASP A 43 -0.674 14.306 8.103 1.00 0.00 N ATOM 679 CA ASP A 43 -0.858 15.663 7.600 1.00 0.00 C ATOM 680 C ASP A 43 -1.898 15.694 6.486 1.00 0.00 C ATOM 681 O ASP A 43 -1.944 14.801 5.640 1.00 0.00 O ATOM 682 CB ASP A 43 0.470 16.224 7.090 1.00 0.00 C ATOM 683 CG ASP A 43 0.566 17.727 7.259 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.133 18.235 8.315 1.00 0.00 O ATOM 685 OD2 ASP A 43 1.075 18.398 6.336 1.00 0.00 O ATOM 0 H ASP A 43 -0.273 13.656 7.426 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.215 16.283 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.292 15.748 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.587 15.972 6.036 1.00 0.00 H new ATOM 690 N ASN A 44 -2.731 16.729 6.491 1.00 0.00 N ATOM 691 CA ASN A 44 -3.771 16.879 5.479 1.00 0.00 C ATOM 692 C ASN A 44 -3.164 17.040 4.088 1.00 0.00 C ATOM 693 O ASN A 44 -3.811 16.748 3.082 1.00 0.00 O ATOM 694 CB ASN A 44 -4.656 18.084 5.803 1.00 0.00 C ATOM 695 CG ASN A 44 -5.394 17.924 7.118 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.855 17.381 8.083 1.00 0.00 O ATOM 697 ND2 ASN A 44 -6.634 18.398 7.163 1.00 0.00 N ATOM 0 H ASN A 44 -2.707 17.477 7.184 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.380 15.975 5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.041 18.983 5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.378 18.227 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.179 18.319 8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.041 18.841 6.339 1.00 0.00 H new ATOM 704 N ALA A 45 -1.919 17.505 4.036 1.00 0.00 N ATOM 705 CA ALA A 45 -1.231 17.702 2.766 1.00 0.00 C ATOM 706 C ALA A 45 -0.981 16.373 2.066 1.00 0.00 C ATOM 707 O ALA A 45 -1.015 16.290 0.838 1.00 0.00 O ATOM 708 CB ALA A 45 0.081 18.441 2.986 1.00 0.00 C ATOM 0 H ALA A 45 -1.368 17.752 4.858 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.872 18.306 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.584 18.581 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.120 19.413 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.720 17.859 3.650 1.00 0.00 H new ATOM 714 N LEU A 46 -0.733 15.333 2.854 1.00 0.00 N ATOM 715 CA LEU A 46 -0.481 14.006 2.309 1.00 0.00 C ATOM 716 C LEU A 46 -1.707 13.486 1.565 1.00 0.00 C ATOM 717 O LEU A 46 -1.587 12.712 0.615 1.00 0.00 O ATOM 718 CB LEU A 46 -0.097 13.036 3.427 1.00 0.00 C ATOM 719 CG LEU A 46 1.379 13.060 3.828 1.00 0.00 C ATOM 720 CD1 LEU A 46 1.546 12.624 5.275 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.195 12.171 2.903 1.00 0.00 C ATOM 0 H LEU A 46 -0.701 15.384 3.872 1.00 0.00 H new ATOM 0 HA LEU A 46 0.347 14.079 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.700 13.262 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.356 12.024 3.114 1.00 0.00 H new ATOM 0 HG LEU A 46 1.746 14.082 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.602 12.647 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.992 13.301 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.163 11.611 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.243 12.199 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.827 11.147 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.100 12.529 1.878 1.00 0.00 H new ATOM 733 N ARG A 47 -2.886 13.920 2.002 1.00 0.00 N ATOM 734 CA ARG A 47 -4.134 13.501 1.375 1.00 0.00 C ATOM 735 C ARG A 47 -4.259 14.088 -0.026 1.00 0.00 C ATOM 736 O ARG A 47 -4.544 13.373 -0.988 1.00 0.00 O ATOM 737 CB ARG A 47 -5.328 13.932 2.230 1.00 0.00 C ATOM 738 CG ARG A 47 -6.483 12.945 2.202 1.00 0.00 C ATOM 739 CD ARG A 47 -7.273 12.975 3.500 1.00 0.00 C ATOM 740 NE ARG A 47 -8.631 12.463 3.327 1.00 0.00 N ATOM 741 CZ ARG A 47 -9.464 12.217 4.336 1.00 0.00 C ATOM 742 NH1 ARG A 47 -9.083 12.433 5.588 1.00 0.00 N ATOM 743 NH2 ARG A 47 -10.682 11.753 4.091 1.00 0.00 N ATOM 0 H ARG A 47 -3.002 14.561 2.787 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.127 12.414 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.998 14.063 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.682 14.903 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.144 13.180 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.099 11.939 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.755 12.381 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.316 13.998 3.874 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.960 12.284 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.147 12.790 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.726 12.243 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.980 11.585 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.321 11.564 4.863 1.00 0.00 H new ATOM 757 N ASP A 48 -4.039 15.396 -0.137 1.00 0.00 N ATOM 758 CA ASP A 48 -4.125 16.076 -1.426 1.00 0.00 C ATOM 759 C ASP A 48 -2.832 15.937 -2.217 1.00 0.00 C ATOM 760 O ASP A 48 -2.711 16.442 -3.334 1.00 0.00 O ATOM 761 CB ASP A 48 -4.469 17.553 -1.232 1.00 0.00 C ATOM 762 CG ASP A 48 -5.469 18.053 -2.256 1.00 0.00 C ATOM 763 OD1 ASP A 48 -6.581 17.488 -2.325 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.141 19.009 -2.989 1.00 0.00 O ATOM 0 H ASP A 48 -3.801 16.004 0.647 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.922 15.599 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.874 17.700 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.558 18.147 -1.298 1.00 0.00 H new ATOM 769 N GLU A 49 -1.879 15.238 -1.632 1.00 0.00 N ATOM 770 CA GLU A 49 -0.590 15.004 -2.269 1.00 0.00 C ATOM 771 C GLU A 49 -0.552 13.610 -2.884 1.00 0.00 C ATOM 772 O GLU A 49 0.115 13.379 -3.892 1.00 0.00 O ATOM 773 CB GLU A 49 0.544 15.161 -1.254 1.00 0.00 C ATOM 774 CG GLU A 49 1.928 14.976 -1.855 1.00 0.00 C ATOM 775 CD GLU A 49 2.558 16.288 -2.282 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.148 16.830 -3.329 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.462 16.772 -1.569 1.00 0.00 O ATOM 0 H GLU A 49 -1.971 14.817 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.455 15.742 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.482 16.151 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.405 14.436 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.574 14.487 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.860 14.312 -2.717 1.00 0.00 H new ATOM 784 N MET A 50 -1.282 12.686 -2.267 1.00 0.00 N ATOM 785 CA MET A 50 -1.345 11.311 -2.747 1.00 0.00 C ATOM 786 C MET A 50 -2.349 11.187 -3.887 1.00 0.00 C ATOM 787 O MET A 50 -2.093 10.510 -4.883 1.00 0.00 O ATOM 788 CB MET A 50 -1.730 10.368 -1.606 1.00 0.00 C ATOM 789 CG MET A 50 -1.391 8.912 -1.878 1.00 0.00 C ATOM 790 SD MET A 50 -2.545 8.132 -3.024 1.00 0.00 S ATOM 791 CE MET A 50 -1.609 6.687 -3.515 1.00 0.00 C ATOM 0 H MET A 50 -1.839 12.866 -1.432 1.00 0.00 H new ATOM 0 HA MET A 50 -0.359 11.032 -3.119 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.222 10.686 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.801 10.454 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.382 8.848 -2.285 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.391 8.361 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.290 5.923 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.903 6.960 -4.299 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.064 6.297 -2.655 1.00 0.00 H new ATOM 801 N ARG A 51 -3.492 11.849 -3.736 1.00 0.00 N ATOM 802 CA ARG A 51 -4.533 11.816 -4.755 1.00 0.00 C ATOM 803 C ARG A 51 -4.037 12.446 -6.053 1.00 0.00 C ATOM 804 O ARG A 51 -4.463 12.064 -7.143 1.00 0.00 O ATOM 805 CB ARG A 51 -5.783 12.548 -4.261 1.00 0.00 C ATOM 806 CG ARG A 51 -6.821 11.628 -3.640 1.00 0.00 C ATOM 807 CD ARG A 51 -6.535 11.378 -2.168 1.00 0.00 C ATOM 808 NE ARG A 51 -7.615 10.640 -1.518 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.768 11.189 -1.144 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.995 12.480 -1.354 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.697 10.446 -0.558 1.00 0.00 N ATOM 0 H ARG A 51 -3.720 12.414 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.787 10.774 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.488 13.298 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.236 13.081 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.812 12.069 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.834 10.679 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.604 10.820 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.390 12.331 -1.660 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.477 9.645 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.284 13.056 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.881 12.896 -1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.528 9.454 -0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.581 10.867 -0.271 1.00 0.00 H new ATOM 825 N ALA A 52 -3.133 13.412 -5.927 1.00 0.00 N ATOM 826 CA ALA A 52 -2.576 14.095 -7.088 1.00 0.00 C ATOM 827 C ALA A 52 -1.561 13.212 -7.807 1.00 0.00 C ATOM 828 O ALA A 52 -1.725 12.894 -8.985 1.00 0.00 O ATOM 829 CB ALA A 52 -1.933 15.409 -6.670 1.00 0.00 C ATOM 0 H ALA A 52 -2.771 13.739 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.391 14.307 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.521 15.908 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.683 16.050 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.133 15.212 -5.956 1.00 0.00 H new ATOM 835 N LEU A 53 -0.513 12.818 -7.091 1.00 0.00 N ATOM 836 CA LEU A 53 0.526 11.969 -7.663 1.00 0.00 C ATOM 837 C LEU A 53 -0.057 10.641 -8.135 1.00 0.00 C ATOM 838 O LEU A 53 0.440 10.037 -9.086 1.00 0.00 O ATOM 839 CB LEU A 53 1.635 11.720 -6.637 1.00 0.00 C ATOM 840 CG LEU A 53 1.238 10.836 -5.452 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.431 9.365 -5.791 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.045 11.211 -4.217 1.00 0.00 C ATOM 0 H LEU A 53 -0.361 13.073 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 53 0.950 12.485 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.482 11.260 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.977 12.682 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 53 0.182 11.001 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.143 8.754 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.810 9.105 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.478 9.182 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.751 10.574 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.107 11.075 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.855 12.253 -3.961 1.00 0.00 H new ATOM 854 N ALA A 54 -1.112 10.193 -7.464 1.00 0.00 N ATOM 855 CA ALA A 54 -1.764 8.936 -7.814 1.00 0.00 C ATOM 856 C ALA A 54 -2.613 9.081 -9.075 1.00 0.00 C ATOM 857 O ALA A 54 -2.972 8.087 -9.707 1.00 0.00 O ATOM 858 CB ALA A 54 -2.620 8.447 -6.656 1.00 0.00 C ATOM 0 H ALA A 54 -1.534 10.681 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.986 8.200 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.101 7.508 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.991 8.290 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.382 9.192 -6.427 1.00 0.00 H new ATOM 864 N GLY A 55 -2.934 10.320 -9.437 1.00 0.00 N ATOM 865 CA GLY A 55 -3.741 10.558 -10.619 1.00 0.00 C ATOM 866 C GLY A 55 -5.133 9.974 -10.489 1.00 0.00 C ATOM 867 O GLY A 55 -5.640 9.344 -11.417 1.00 0.00 O ATOM 0 H GLY A 55 -2.650 11.161 -8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.814 11.631 -10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.246 10.124 -11.488 1.00 0.00 H new ATOM 871 N ASN A 56 -5.751 10.185 -9.332 1.00 0.00 N ATOM 872 CA ASN A 56 -7.092 9.678 -9.073 1.00 0.00 C ATOM 873 C ASN A 56 -7.559 10.092 -7.697 1.00 0.00 C ATOM 874 O ASN A 56 -7.018 9.656 -6.680 1.00 0.00 O ATOM 875 CB ASN A 56 -7.135 8.155 -9.208 1.00 0.00 C ATOM 876 CG ASN A 56 -8.534 7.597 -9.030 1.00 0.00 C ATOM 877 OD1 ASN A 56 -9.445 7.919 -9.793 1.00 0.00 O ATOM 878 ND2 ASN A 56 -8.711 6.756 -8.018 1.00 0.00 N ATOM 0 H ASN A 56 -5.342 10.706 -8.556 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.764 10.108 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.755 7.869 -10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.472 7.709 -8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.631 6.349 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.927 6.517 -7.410 1.00 0.00 H new ATOM 885 N PRO A 57 -8.574 10.958 -7.654 1.00 0.00 N ATOM 886 CA PRO A 57 -9.131 11.463 -6.419 1.00 0.00 C ATOM 887 C PRO A 57 -10.222 10.558 -5.855 1.00 0.00 C ATOM 888 O PRO A 57 -11.084 11.003 -5.096 1.00 0.00 O ATOM 889 CB PRO A 57 -9.708 12.820 -6.834 1.00 0.00 C ATOM 890 CG PRO A 57 -9.580 12.914 -8.322 1.00 0.00 C ATOM 891 CD PRO A 57 -9.262 11.539 -8.809 1.00 0.00 C ATOM 0 HA PRO A 57 -8.388 11.523 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.752 12.904 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.168 13.633 -6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.505 13.279 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.793 13.615 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.161 10.981 -9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.628 11.557 -9.695 1.00 0.00 H new ATOM 899 N LYS A 58 -10.172 9.287 -6.228 1.00 0.00 N ATOM 900 CA LYS A 58 -11.143 8.307 -5.762 1.00 0.00 C ATOM 901 C LYS A 58 -10.446 7.131 -5.076 1.00 0.00 C ATOM 902 O LYS A 58 -11.102 6.234 -4.548 1.00 0.00 O ATOM 903 CB LYS A 58 -11.988 7.805 -6.935 1.00 0.00 C ATOM 904 CG LYS A 58 -12.980 6.719 -6.551 1.00 0.00 C ATOM 905 CD LYS A 58 -13.943 6.418 -7.688 1.00 0.00 C ATOM 906 CE LYS A 58 -13.524 5.176 -8.459 1.00 0.00 C ATOM 907 NZ LYS A 58 -13.684 3.938 -7.648 1.00 0.00 N ATOM 0 H LYS A 58 -9.464 8.908 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.794 8.791 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.532 8.646 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.326 7.422 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.441 5.811 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.541 7.032 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.947 6.278 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.986 7.271 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.121 5.094 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.484 5.275 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.772 3.117 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.853 3.815 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.539 4.016 -7.061 1.00 0.00 H new ATOM 921 N ALA A 59 -9.113 7.140 -5.090 1.00 0.00 N ATOM 922 CA ALA A 59 -8.334 6.074 -4.472 1.00 0.00 C ATOM 923 C ALA A 59 -8.668 5.934 -2.989 1.00 0.00 C ATOM 924 O ALA A 59 -9.683 6.448 -2.520 1.00 0.00 O ATOM 925 CB ALA A 59 -6.846 6.337 -4.661 1.00 0.00 C ATOM 0 H ALA A 59 -8.553 7.874 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.593 5.135 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.273 5.535 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.616 6.377 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.583 7.287 -4.197 1.00 0.00 H new ATOM 931 N THR A 60 -7.807 5.232 -2.257 1.00 0.00 N ATOM 932 CA THR A 60 -8.010 5.020 -0.829 1.00 0.00 C ATOM 933 C THR A 60 -6.677 5.062 -0.083 1.00 0.00 C ATOM 934 O THR A 60 -5.613 4.994 -0.698 1.00 0.00 O ATOM 935 CB THR A 60 -8.704 3.678 -0.589 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.792 2.606 -0.745 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.867 3.430 -1.526 1.00 0.00 C ATOM 0 H THR A 60 -6.962 4.800 -2.631 1.00 0.00 H new ATOM 0 HA THR A 60 -8.644 5.821 -0.449 1.00 0.00 H new ATOM 0 HB THR A 60 -9.084 3.728 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.283 1.758 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.314 2.462 -1.302 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.613 4.214 -1.395 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.512 3.436 -2.556 1.00 0.00 H new ATOM 945 N PRO A 61 -6.716 5.175 1.256 1.00 0.00 N ATOM 946 CA PRO A 61 -5.504 5.225 2.078 1.00 0.00 C ATOM 947 C PRO A 61 -4.522 4.098 1.753 1.00 0.00 C ATOM 948 O PRO A 61 -3.332 4.347 1.557 1.00 0.00 O ATOM 949 CB PRO A 61 -6.034 5.086 3.506 1.00 0.00 C ATOM 950 CG PRO A 61 -7.425 5.616 3.442 1.00 0.00 C ATOM 951 CD PRO A 61 -7.942 5.262 2.074 1.00 0.00 C ATOM 0 HA PRO A 61 -4.939 6.141 1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.020 4.047 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.426 5.652 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.047 5.174 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.439 6.695 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.487 4.318 2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.625 6.021 1.694 1.00 0.00 H new ATOM 959 N PRO A 62 -4.997 2.838 1.689 1.00 0.00 N ATOM 960 CA PRO A 62 -4.133 1.692 1.384 1.00 0.00 C ATOM 961 C PRO A 62 -3.609 1.726 -0.049 1.00 0.00 C ATOM 962 O PRO A 62 -4.200 1.132 -0.951 1.00 0.00 O ATOM 963 CB PRO A 62 -5.048 0.483 1.591 1.00 0.00 C ATOM 964 CG PRO A 62 -6.428 1.011 1.406 1.00 0.00 C ATOM 965 CD PRO A 62 -6.399 2.428 1.906 1.00 0.00 C ATOM 0 HA PRO A 62 -3.243 1.678 2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.828 -0.307 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.919 0.055 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.723 0.973 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.152 0.415 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.093 3.063 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.677 2.489 2.958 1.00 0.00 H new ATOM 973 N GLN A 63 -2.497 2.426 -0.249 1.00 0.00 N ATOM 974 CA GLN A 63 -1.889 2.539 -1.570 1.00 0.00 C ATOM 975 C GLN A 63 -0.379 2.340 -1.492 1.00 0.00 C ATOM 976 O GLN A 63 0.310 3.030 -0.741 1.00 0.00 O ATOM 977 CB GLN A 63 -2.205 3.905 -2.184 1.00 0.00 C ATOM 978 CG GLN A 63 -3.678 4.103 -2.500 1.00 0.00 C ATOM 979 CD GLN A 63 -4.048 3.609 -3.884 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.210 3.561 -4.784 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.311 3.239 -4.062 1.00 0.00 N ATOM 0 H GLN A 63 -1.998 2.924 0.488 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.308 1.758 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.881 4.687 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.626 4.025 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.279 3.577 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.924 5.162 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.973 3.295 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.619 2.899 -4.973 1.00 0.00 H new ATOM 990 N ILE A 64 0.127 1.392 -2.273 1.00 0.00 N ATOM 991 CA ILE A 64 1.555 1.100 -2.293 1.00 0.00 C ATOM 992 C ILE A 64 2.296 2.038 -3.239 1.00 0.00 C ATOM 993 O ILE A 64 1.712 2.582 -4.175 1.00 0.00 O ATOM 994 CB ILE A 64 1.824 -0.356 -2.718 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.951 -1.319 -1.908 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.298 -0.695 -2.547 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.218 -1.877 -2.690 1.00 0.00 C ATOM 0 H ILE A 64 -0.431 0.813 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 64 1.922 1.249 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 64 1.567 -0.464 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.568 -2.145 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.574 -0.801 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.472 -1.727 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.899 -0.028 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.581 -0.573 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.792 -2.551 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.857 -1.059 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.152 -2.424 -3.557 1.00 0.00 H new ATOM 1009 N VAL A 65 3.588 2.222 -2.986 1.00 0.00 N ATOM 1010 CA VAL A 65 4.414 3.093 -3.811 1.00 0.00 C ATOM 1011 C VAL A 65 5.883 2.687 -3.727 1.00 0.00 C ATOM 1012 O VAL A 65 6.382 2.337 -2.658 1.00 0.00 O ATOM 1013 CB VAL A 65 4.263 4.570 -3.389 1.00 0.00 C ATOM 1014 CG1 VAL A 65 5.177 5.476 -4.205 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.812 5.010 -3.521 1.00 0.00 C ATOM 0 H VAL A 65 4.085 1.778 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 65 4.072 2.986 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 65 4.561 4.655 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.047 6.509 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.214 5.177 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.925 5.390 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.719 6.054 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.492 4.901 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.184 4.391 -2.880 1.00 0.00 H new ATOM 1025 N ASN A 66 6.567 2.734 -4.864 1.00 0.00 N ATOM 1026 CA ASN A 66 7.978 2.369 -4.926 1.00 0.00 C ATOM 1027 C ASN A 66 8.856 3.612 -5.037 1.00 0.00 C ATOM 1028 O ASN A 66 9.321 3.960 -6.122 1.00 0.00 O ATOM 1029 CB ASN A 66 8.234 1.438 -6.113 1.00 0.00 C ATOM 1030 CG ASN A 66 8.443 -0.001 -5.684 1.00 0.00 C ATOM 1031 OD1 ASN A 66 7.578 -0.854 -5.886 1.00 0.00 O ATOM 1032 ND2 ASN A 66 9.596 -0.279 -5.087 1.00 0.00 N ATOM 0 H ASN A 66 6.167 3.022 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 66 8.235 1.847 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.390 1.490 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.112 1.783 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.793 -1.230 -4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.285 0.459 -4.940 1.00 0.00 H new ATOM 1039 N GLY A 67 9.078 4.275 -3.908 1.00 0.00 N ATOM 1040 CA GLY A 67 9.900 5.470 -3.900 1.00 0.00 C ATOM 1041 C GLY A 67 9.102 6.725 -4.187 1.00 0.00 C ATOM 1042 O GLY A 67 8.787 7.490 -3.276 1.00 0.00 O ATOM 0 H GLY A 67 8.703 4.006 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.386 5.566 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.691 5.368 -4.643 1.00 0.00 H new ATOM 1046 N ASP A 68 8.775 6.939 -5.457 1.00 0.00 N ATOM 1047 CA ASP A 68 8.010 8.111 -5.860 1.00 0.00 C ATOM 1048 C ASP A 68 7.180 7.817 -7.105 1.00 0.00 C ATOM 1049 O ASP A 68 7.009 8.679 -7.967 1.00 0.00 O ATOM 1050 CB ASP A 68 8.946 9.292 -6.124 1.00 0.00 C ATOM 1051 CG ASP A 68 9.527 9.865 -4.846 1.00 0.00 C ATOM 1052 OD1 ASP A 68 8.748 10.383 -4.020 1.00 0.00 O ATOM 1053 OD2 ASP A 68 10.762 9.795 -4.672 1.00 0.00 O ATOM 0 H ASP A 68 9.028 6.316 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 68 7.333 8.369 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.758 8.970 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.401 10.073 -6.654 1.00 0.00 H new ATOM 1058 N GLN A 69 6.665 6.595 -7.193 1.00 0.00 N ATOM 1059 CA GLN A 69 5.852 6.191 -8.333 1.00 0.00 C ATOM 1060 C GLN A 69 4.618 5.426 -7.871 1.00 0.00 C ATOM 1061 O GLN A 69 4.574 4.914 -6.753 1.00 0.00 O ATOM 1062 CB GLN A 69 6.673 5.329 -9.294 1.00 0.00 C ATOM 1063 CG GLN A 69 7.070 6.051 -10.571 1.00 0.00 C ATOM 1064 CD GLN A 69 7.268 5.104 -11.738 1.00 0.00 C ATOM 1065 OE1 GLN A 69 6.670 5.276 -12.800 1.00 0.00 O ATOM 1066 NE2 GLN A 69 8.111 4.097 -11.545 1.00 0.00 N ATOM 0 H GLN A 69 6.796 5.869 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 69 5.527 7.091 -8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.574 4.988 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.098 4.440 -9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.301 6.780 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.992 6.607 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.585 3.993 -10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.285 3.427 -12.294 1.00 0.00 H new ATOM 1075 N TYR A 70 3.619 5.347 -8.738 1.00 0.00 N ATOM 1076 CA TYR A 70 2.387 4.642 -8.414 1.00 0.00 C ATOM 1077 C TYR A 70 2.565 3.138 -8.584 1.00 0.00 C ATOM 1078 O TYR A 70 2.509 2.617 -9.699 1.00 0.00 O ATOM 1079 CB TYR A 70 1.243 5.138 -9.300 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.124 4.987 -8.671 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.343 5.330 -7.343 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.197 4.502 -9.409 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -1.592 5.193 -6.767 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -2.449 4.363 -8.840 1.00 0.00 C ATOM 1085 CZ TYR A 70 -2.641 4.710 -7.520 1.00 0.00 C ATOM 1086 OH TYR A 70 -3.886 4.573 -6.951 1.00 0.00 O ATOM 0 H TYR A 70 3.637 5.762 -9.670 1.00 0.00 H new ATOM 0 HA TYR A 70 2.142 4.846 -7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.409 6.189 -9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.262 4.591 -10.242 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.476 5.710 -6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.050 4.229 -10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.745 5.463 -5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.273 3.984 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.850 3.896 -6.243 1.00 0.00 H new ATOM 1096 N CYS A 71 2.785 2.446 -7.472 1.00 0.00 N ATOM 1097 CA CYS A 71 2.977 1.001 -7.497 1.00 0.00 C ATOM 1098 C CYS A 71 1.641 0.273 -7.606 1.00 0.00 C ATOM 1099 O CYS A 71 1.431 -0.520 -8.524 1.00 0.00 O ATOM 1100 CB CYS A 71 3.719 0.543 -6.240 1.00 0.00 C ATOM 1101 SG CYS A 71 4.714 -0.948 -6.473 1.00 0.00 S ATOM 0 H CYS A 71 2.835 2.862 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 71 3.575 0.756 -8.375 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.368 1.350 -5.899 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.993 0.362 -5.448 1.00 0.00 H new ATOM 0 HG CYS A 71 5.942 -0.709 -6.121 1.00 0.00 H new ATOM 1107 N GLY A 72 0.739 0.545 -6.667 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.562 -0.096 -6.687 1.00 0.00 C ATOM 1109 C GLY A 72 -1.358 0.161 -5.424 1.00 0.00 C ATOM 1110 O GLY A 72 -0.963 0.971 -4.585 1.00 0.00 O ATOM 0 H GLY A 72 0.886 1.196 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.127 0.263 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.432 -1.170 -6.817 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.485 -0.530 -5.289 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.344 -0.375 -4.121 1.00 0.00 C ATOM 1116 C ASP A 73 -3.633 -1.727 -3.476 1.00 0.00 C ATOM 1117 O ASP A 73 -3.069 -2.748 -3.871 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.654 0.309 -4.515 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.454 -0.504 -5.515 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.751 -1.681 -5.220 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.783 0.037 -6.591 1.00 0.00 O ATOM 0 H ASP A 73 -2.825 -1.204 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.822 0.248 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.256 0.476 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.436 1.289 -4.940 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.514 -1.727 -2.481 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.878 -2.953 -1.780 1.00 0.00 C ATOM 1128 C TYR A 74 -5.425 -3.996 -2.750 1.00 0.00 C ATOM 1129 O TYR A 74 -4.993 -5.149 -2.748 1.00 0.00 O ATOM 1130 CB TYR A 74 -5.916 -2.654 -0.695 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.360 -3.877 0.076 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.318 -4.739 -0.442 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -5.820 -4.169 1.323 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -7.726 -5.857 0.260 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.223 -5.285 2.031 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.176 -6.126 1.495 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.580 -7.238 2.197 1.00 0.00 O ATOM 0 H TYR A 74 -4.989 -0.891 -2.142 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.979 -3.356 -1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.500 -1.927 0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.788 -2.190 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.751 -4.532 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.073 -3.513 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.472 -6.517 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.794 -5.498 2.999 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.847 -7.942 1.570 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.380 -3.584 -3.577 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.992 -4.473 -4.549 1.00 0.00 C ATOM 1149 C GLU A 75 -5.950 -5.062 -5.496 1.00 0.00 C ATOM 1150 O GLU A 75 -6.041 -6.226 -5.886 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.050 -3.708 -5.339 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.345 -4.477 -5.520 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.609 -4.849 -6.967 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.632 -5.104 -7.702 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.793 -4.886 -7.364 1.00 0.00 O ATOM 0 H GLU A 75 -6.747 -2.632 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.459 -5.301 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.263 -2.768 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.647 -3.455 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.311 -5.384 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.174 -3.876 -5.147 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.965 -4.250 -5.868 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.915 -4.685 -6.770 1.00 0.00 C ATOM 1164 C LEU A 76 -2.966 -5.661 -6.079 1.00 0.00 C ATOM 1165 O LEU A 76 -2.800 -6.799 -6.521 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.153 -3.465 -7.272 1.00 0.00 C ATOM 1167 CG LEU A 76 -2.242 -3.717 -8.464 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -2.111 -2.455 -9.301 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -0.884 -4.195 -7.982 1.00 0.00 C ATOM 0 H LEU A 76 -4.876 -3.283 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.366 -5.208 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.873 -2.692 -7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.552 -3.069 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.678 -4.494 -9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.457 -2.648 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.095 -2.154 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.688 -1.657 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.236 -4.374 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.437 -3.435 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.003 -5.120 -7.418 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.348 -5.212 -4.989 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.419 -6.050 -4.234 1.00 0.00 C ATOM 1183 C PHE A 77 -2.041 -7.413 -3.935 1.00 0.00 C ATOM 1184 O PHE A 77 -1.416 -8.454 -4.145 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.022 -5.357 -2.928 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.080 -6.163 -2.079 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.550 -7.211 -1.304 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.275 -5.872 -2.054 1.00 0.00 C ATOM 1189 CE1 PHE A 77 0.313 -7.954 -0.521 1.00 0.00 C ATOM 1190 CE2 PHE A 77 2.143 -6.612 -1.273 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.661 -7.654 -0.505 1.00 0.00 C ATOM 0 H PHE A 77 -2.473 -4.274 -4.609 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.526 -6.203 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.557 -4.399 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.922 -5.142 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.603 -7.450 -1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.657 -5.058 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.066 -8.769 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.197 -6.376 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.337 -8.233 0.107 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.279 -7.396 -3.451 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.991 -8.627 -3.131 1.00 0.00 C ATOM 1203 C VAL A 78 -4.279 -9.428 -4.396 1.00 0.00 C ATOM 1204 O VAL A 78 -4.214 -10.657 -4.392 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.317 -8.339 -2.402 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.977 -9.635 -1.956 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.085 -7.415 -1.215 1.00 0.00 C ATOM 0 H VAL A 78 -3.809 -6.543 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.347 -9.208 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.990 -7.838 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.912 -9.409 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.182 -10.258 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.311 -10.168 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.033 -7.223 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.393 -7.886 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.662 -6.473 -1.564 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.589 -8.722 -5.479 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.879 -9.368 -6.754 1.00 0.00 C ATOM 1219 C GLU A 79 -3.674 -10.167 -7.246 1.00 0.00 C ATOM 1220 O GLU A 79 -3.804 -11.041 -8.103 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.273 -8.328 -7.804 1.00 0.00 C ATOM 1222 CG GLU A 79 -5.569 -8.929 -9.169 1.00 0.00 C ATOM 1223 CD GLU A 79 -5.733 -7.876 -10.248 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -6.798 -7.226 -10.286 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -4.795 -7.702 -11.054 1.00 0.00 O ATOM 0 H GLU A 79 -4.646 -7.704 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.713 -10.053 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.152 -7.786 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.468 -7.600 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.761 -9.605 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.478 -9.527 -9.109 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.500 -9.857 -6.707 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.277 -10.544 -7.099 1.00 0.00 C ATOM 1234 C ALA A 80 -1.053 -11.806 -6.268 1.00 0.00 C ATOM 1235 O ALA A 80 -0.971 -12.908 -6.808 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.089 -9.604 -6.971 1.00 0.00 C ATOM 0 H ALA A 80 -2.370 -9.135 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.380 -10.850 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.821 -10.126 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.238 -8.740 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.002 -9.272 -5.937 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.947 -11.638 -4.952 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.723 -12.767 -4.046 1.00 0.00 C ATOM 1244 C VAL A 81 -1.714 -13.901 -4.302 1.00 0.00 C ATOM 1245 O VAL A 81 -1.370 -15.078 -4.199 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.838 -12.338 -2.569 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.417 -13.475 -1.649 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.008 -11.090 -2.296 1.00 0.00 C ATOM 0 H VAL A 81 -1.012 -10.732 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 81 0.289 -13.121 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.882 -12.098 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.504 -13.154 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.062 -14.338 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.617 -13.748 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.107 -10.809 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.039 -11.293 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.361 -10.273 -2.925 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.946 -13.531 -4.621 1.00 0.00 N ATOM 1259 CA GLU A 82 -4.008 -14.500 -4.881 1.00 0.00 C ATOM 1260 C GLU A 82 -3.617 -15.512 -5.956 1.00 0.00 C ATOM 1261 O GLU A 82 -3.826 -16.714 -5.791 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.276 -13.769 -5.310 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.017 -12.676 -6.332 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.687 -12.953 -7.665 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.698 -14.127 -8.091 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.200 -11.996 -8.282 1.00 0.00 O ATOM 0 H GLU A 82 -3.239 -12.558 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.182 -15.050 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.980 -14.489 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.751 -13.332 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.376 -11.725 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.943 -12.573 -6.484 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.058 -15.025 -7.060 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.653 -15.896 -8.158 1.00 0.00 C ATOM 1275 C GLN A 83 -1.157 -16.178 -8.107 1.00 0.00 C ATOM 1276 O GLN A 83 -0.589 -16.747 -9.039 1.00 0.00 O ATOM 1277 CB GLN A 83 -3.019 -15.258 -9.500 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.617 -16.237 -10.497 1.00 0.00 C ATOM 1279 CD GLN A 83 -2.667 -16.566 -11.633 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -2.858 -16.124 -12.765 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -1.635 -17.347 -11.334 1.00 0.00 N ATOM 0 H GLN A 83 -2.876 -14.034 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.184 -16.842 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.729 -14.450 -9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.126 -14.810 -9.935 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.890 -17.156 -9.979 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.536 -15.817 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.515 -17.691 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.962 -17.602 -12.057 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.524 -15.763 -7.016 1.00 0.00 N ATOM 1291 CA ASN A 84 0.905 -15.951 -6.835 1.00 0.00 C ATOM 1292 C ASN A 84 1.680 -14.961 -7.693 1.00 0.00 C ATOM 1293 O ASN A 84 2.860 -15.159 -7.981 1.00 0.00 O ATOM 1294 CB ASN A 84 1.319 -17.386 -7.174 1.00 0.00 C ATOM 1295 CG ASN A 84 2.502 -17.856 -6.351 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.593 -18.072 -6.878 1.00 0.00 O ATOM 1297 ND2 ASN A 84 2.291 -18.018 -5.050 1.00 0.00 N ATOM 0 H ASN A 84 -0.985 -15.290 -6.239 1.00 0.00 H new ATOM 0 HA ASN A 84 1.140 -15.770 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.474 -18.054 -7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.569 -17.449 -8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.050 -18.333 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.370 -17.827 -4.655 1.00 0.00 H new ATOM 1304 N THR A 85 1.004 -13.888 -8.090 1.00 0.00 N ATOM 1305 CA THR A 85 1.620 -12.857 -8.905 1.00 0.00 C ATOM 1306 C THR A 85 2.353 -11.846 -8.029 1.00 0.00 C ATOM 1307 O THR A 85 3.199 -11.096 -8.513 1.00 0.00 O ATOM 1308 CB THR A 85 0.565 -12.147 -9.755 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.570 -12.974 -9.940 1.00 0.00 O ATOM 1310 CG2 THR A 85 1.070 -11.748 -11.125 1.00 0.00 C ATOM 0 H THR A 85 0.026 -13.713 -7.858 1.00 0.00 H new ATOM 0 HA THR A 85 2.343 -13.333 -9.567 1.00 0.00 H new ATOM 0 HB THR A 85 0.309 -11.243 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.234 -12.501 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.272 -11.249 -11.676 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.916 -11.069 -11.017 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.386 -12.638 -11.670 1.00 0.00 H new ATOM 1318 N LEU A 86 2.013 -11.834 -6.735 1.00 0.00 N ATOM 1319 CA LEU A 86 2.623 -10.922 -5.765 1.00 0.00 C ATOM 1320 C LEU A 86 4.058 -10.550 -6.140 1.00 0.00 C ATOM 1321 O LEU A 86 4.434 -9.379 -6.089 1.00 0.00 O ATOM 1322 CB LEU A 86 2.605 -11.556 -4.375 1.00 0.00 C ATOM 1323 CG LEU A 86 3.267 -10.724 -3.280 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.501 -9.429 -3.054 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.366 -11.523 -1.988 1.00 0.00 C ATOM 0 H LEU A 86 1.310 -12.454 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 86 2.034 -10.005 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.570 -11.745 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.103 -12.524 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 86 4.276 -10.471 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.989 -8.850 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.486 -8.849 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.479 -9.659 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.841 -10.914 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.367 -11.809 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.962 -12.420 -2.159 1.00 0.00 H new ATOM 1337 N GLN A 87 4.857 -11.547 -6.515 1.00 0.00 N ATOM 1338 CA GLN A 87 6.246 -11.300 -6.892 1.00 0.00 C ATOM 1339 C GLN A 87 6.331 -10.219 -7.961 1.00 0.00 C ATOM 1340 O GLN A 87 7.017 -9.214 -7.783 1.00 0.00 O ATOM 1341 CB GLN A 87 6.912 -12.577 -7.402 1.00 0.00 C ATOM 1342 CG GLN A 87 8.276 -12.329 -8.029 1.00 0.00 C ATOM 1343 CD GLN A 87 9.075 -13.603 -8.217 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.651 -14.518 -8.922 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.240 -13.669 -7.583 1.00 0.00 N ATOM 0 H GLN A 87 4.570 -12.524 -6.566 1.00 0.00 H new ATOM 0 HA GLN A 87 6.773 -10.962 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.021 -13.278 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.261 -13.050 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.144 -11.842 -8.995 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.841 -11.641 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.553 -12.886 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.822 -14.502 -7.671 1.00 0.00 H new ATOM 1354 N GLU A 88 5.624 -10.430 -9.069 1.00 0.00 N ATOM 1355 CA GLU A 88 5.613 -9.470 -10.170 1.00 0.00 C ATOM 1356 C GLU A 88 5.464 -8.044 -9.648 1.00 0.00 C ATOM 1357 O GLU A 88 5.920 -7.090 -10.278 1.00 0.00 O ATOM 1358 CB GLU A 88 4.477 -9.791 -11.143 1.00 0.00 C ATOM 1359 CG GLU A 88 4.614 -9.098 -12.489 1.00 0.00 C ATOM 1360 CD GLU A 88 3.539 -9.519 -13.472 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.727 -10.550 -14.152 1.00 0.00 O ATOM 1362 OE2 GLU A 88 2.510 -8.817 -13.564 1.00 0.00 O ATOM 0 H GLU A 88 5.051 -11.258 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 88 6.565 -9.547 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.439 -10.869 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.529 -9.502 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.567 -8.019 -12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.594 -9.321 -12.910 1.00 0.00 H new ATOM 1369 N PHE A 89 4.822 -7.910 -8.492 1.00 0.00 N ATOM 1370 CA PHE A 89 4.613 -6.607 -7.878 1.00 0.00 C ATOM 1371 C PHE A 89 5.623 -6.351 -6.762 1.00 0.00 C ATOM 1372 O PHE A 89 5.930 -5.202 -6.444 1.00 0.00 O ATOM 1373 CB PHE A 89 3.188 -6.514 -7.328 1.00 0.00 C ATOM 1374 CG PHE A 89 2.859 -5.186 -6.713 1.00 0.00 C ATOM 1375 CD1 PHE A 89 3.377 -4.830 -5.479 1.00 0.00 C ATOM 1376 CD2 PHE A 89 2.025 -4.296 -7.368 1.00 0.00 C ATOM 1377 CE1 PHE A 89 3.070 -3.608 -4.911 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.714 -3.073 -6.805 1.00 0.00 C ATOM 1379 CZ PHE A 89 2.237 -2.729 -5.575 1.00 0.00 C ATOM 0 H PHE A 89 4.437 -8.691 -7.961 1.00 0.00 H new ATOM 0 HA PHE A 89 4.757 -5.844 -8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.484 -6.714 -8.136 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.046 -7.295 -6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.028 -5.514 -4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.613 -4.561 -8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.481 -3.341 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.063 -2.387 -7.327 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.995 -1.774 -5.132 1.00 0.00 H new ATOM 1389 N LEU A 90 6.134 -7.425 -6.167 1.00 0.00 N ATOM 1390 CA LEU A 90 7.104 -7.309 -5.083 1.00 0.00 C ATOM 1391 C LEU A 90 8.537 -7.340 -5.612 1.00 0.00 C ATOM 1392 O LEU A 90 9.243 -6.333 -5.574 1.00 0.00 O ATOM 1393 CB LEU A 90 6.897 -8.433 -4.065 1.00 0.00 C ATOM 1394 CG LEU A 90 7.023 -8.011 -2.600 1.00 0.00 C ATOM 1395 CD1 LEU A 90 8.377 -7.366 -2.345 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.898 -7.059 -2.223 1.00 0.00 C ATOM 0 H LEU A 90 5.893 -8.384 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 90 6.945 -6.348 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.908 -8.865 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.623 -9.221 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 90 6.945 -8.901 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.449 -7.072 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.169 -8.078 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.485 -6.485 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.002 -6.768 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.946 -6.171 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.938 -7.555 -2.368 1.00 0.00 H new ATOM 1408 N LYS A 91 8.964 -8.504 -6.096 1.00 0.00 N ATOM 1409 CA LYS A 91 10.318 -8.662 -6.621 1.00 0.00 C ATOM 1410 C LYS A 91 10.374 -8.381 -8.121 1.00 0.00 C ATOM 1411 O LYS A 91 11.447 -8.137 -8.673 1.00 0.00 O ATOM 1412 CB LYS A 91 10.843 -10.072 -6.338 1.00 0.00 C ATOM 1413 CG LYS A 91 10.372 -10.649 -5.011 1.00 0.00 C ATOM 1414 CD LYS A 91 11.503 -11.345 -4.269 1.00 0.00 C ATOM 1415 CE LYS A 91 12.067 -10.468 -3.163 1.00 0.00 C ATOM 1416 NZ LYS A 91 13.221 -9.653 -3.635 1.00 0.00 N ATOM 0 H LYS A 91 8.394 -9.349 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 91 10.951 -7.934 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.528 -10.735 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.933 -10.053 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.966 -9.850 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.563 -11.357 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.139 -12.280 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.296 -11.602 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.285 -9.807 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.382 -11.094 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.577 -9.069 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.978 -10.283 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.915 -9.037 -4.415 1.00 0.00 H new ATOM 1430 N LEU A 92 9.217 -8.408 -8.778 1.00 0.00 N ATOM 1431 CA LEU A 92 9.146 -8.148 -10.213 1.00 0.00 C ATOM 1432 C LEU A 92 10.097 -9.058 -10.985 1.00 0.00 C ATOM 1433 O LEU A 92 10.636 -8.673 -12.022 1.00 0.00 O ATOM 1434 CB LEU A 92 9.479 -6.681 -10.498 1.00 0.00 C ATOM 1435 CG LEU A 92 8.430 -5.668 -10.028 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.932 -6.010 -8.631 1.00 0.00 C ATOM 1437 CD2 LEU A 92 9.005 -4.260 -10.058 1.00 0.00 C ATOM 0 H LEU A 92 8.317 -8.607 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 92 8.129 -8.358 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.430 -6.442 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.621 -6.560 -11.572 1.00 0.00 H new ATOM 0 HG LEU A 92 7.581 -5.714 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.188 -5.276 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.482 -7.003 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.769 -5.996 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.249 -3.551 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.871 -4.207 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.308 -4.012 -11.075 1.00 0.00 H new ATOM 1449 N ALA A 93 10.300 -10.267 -10.471 1.00 0.00 N ATOM 1450 CA ALA A 93 11.186 -11.231 -11.112 1.00 0.00 C ATOM 1451 C ALA A 93 10.424 -12.105 -12.102 1.00 0.00 C ATOM 1452 O ALA A 93 10.608 -11.993 -13.314 1.00 0.00 O ATOM 1453 CB ALA A 93 11.873 -12.092 -10.063 1.00 0.00 C ATOM 0 H ALA A 93 9.863 -10.602 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 93 11.944 -10.678 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.532 -12.808 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.458 -11.457 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.122 -12.629 -9.484 1.00 0.00 H new ATOM 1459 N LEU A 94 9.569 -12.977 -11.578 1.00 0.00 N ATOM 1460 CA LEU A 94 8.779 -13.872 -12.415 1.00 0.00 C ATOM 1461 C LEU A 94 9.681 -14.767 -13.258 1.00 0.00 C ATOM 1462 O LEU A 94 10.066 -14.407 -14.370 1.00 0.00 O ATOM 1463 CB LEU A 94 7.848 -13.067 -13.324 1.00 0.00 C ATOM 1464 CG LEU A 94 6.560 -13.785 -13.731 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.805 -14.265 -12.501 1.00 0.00 C ATOM 1466 CD2 LEU A 94 5.684 -12.870 -14.573 1.00 0.00 C ATOM 0 H LEU A 94 9.406 -13.083 -10.577 1.00 0.00 H new ATOM 0 HA LEU A 94 8.179 -14.504 -11.760 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.584 -12.139 -12.817 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.394 -12.793 -14.227 1.00 0.00 H new ATOM 0 HG LEU A 94 6.825 -14.655 -14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.892 -14.773 -12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.431 -14.956 -11.936 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.550 -13.411 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.772 -13.397 -14.854 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.427 -11.981 -13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.225 -12.575 -15.473 1.00 0.00 H new ATOM 1478 N GLU A 95 10.015 -15.936 -12.720 1.00 0.00 N ATOM 1479 CA GLU A 95 10.872 -16.883 -13.423 1.00 0.00 C ATOM 1480 C GLU A 95 10.050 -18.015 -14.029 1.00 0.00 C ATOM 1481 O GLU A 95 9.323 -18.690 -13.270 1.00 0.00 O ATOM 1482 CB GLU A 95 11.925 -17.454 -12.471 1.00 0.00 C ATOM 1483 CG GLU A 95 12.954 -16.432 -12.018 1.00 0.00 C ATOM 1484 CD GLU A 95 14.064 -17.050 -11.190 1.00 0.00 C ATOM 1485 OE1 GLU A 95 14.447 -18.204 -11.477 1.00 0.00 O ATOM 1486 OE2 GLU A 95 14.550 -16.380 -10.254 1.00 0.00 O ATOM 0 H GLU A 95 9.705 -16.250 -11.800 1.00 0.00 H new ATOM 0 HA GLU A 95 11.374 -16.350 -14.231 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.425 -17.866 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.438 -18.280 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.386 -15.945 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.458 -15.657 -11.434 1.00 0.00 H new TER 1493 GLU A 95