USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 28 ASN :FLIP amide:sc= -2.4 F(o=-9.3,f=-8.2) USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -5.76! C(o=-10!,f=-8.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= -0.0125 (180deg=-0.0125) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.546 F(o=-1.5,f=-0.55) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -6.02! C(o=-7.7!,f=-6!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.5) USER MOD Single : A 27 SER OG : rot 62:sc=0.000996 USER MOD Single : A 30 THR OG1 : rot 27:sc= 1.08 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.153) USER MOD Single : A 52 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 58 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.25) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 156:sc= -0.83 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.968 X(o=-0.97,f=-1.1) USER MOD Single : A 77 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.075 4.261 -0.674 1.00 0.00 N ATOM 43 CA SER A 3 -0.065 5.216 0.429 1.00 0.00 C ATOM 44 C SER A 3 -1.041 4.792 1.522 1.00 0.00 C ATOM 45 O SER A 3 -1.734 3.781 1.397 1.00 0.00 O ATOM 46 CB SER A 3 -0.424 6.614 -0.076 1.00 0.00 C ATOM 47 OG SER A 3 0.712 7.268 -0.616 1.00 0.00 O ATOM 0 HA SER A 3 0.940 5.237 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.201 6.541 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.834 7.206 0.743 1.00 0.00 H new ATOM 0 HG SER A 3 0.456 8.159 -0.934 1.00 0.00 H new ATOM 53 N THR A 4 -1.092 5.573 2.597 1.00 0.00 N ATOM 54 CA THR A 4 -1.981 5.280 3.714 1.00 0.00 C ATOM 55 C THR A 4 -3.422 5.120 3.242 1.00 0.00 C ATOM 56 O THR A 4 -4.218 4.423 3.872 1.00 0.00 O ATOM 57 CB THR A 4 -1.923 6.387 4.783 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.555 5.939 5.988 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.605 7.654 4.289 1.00 0.00 C ATOM 0 H THR A 4 -0.527 6.414 2.717 1.00 0.00 H new ATOM 0 HA THR A 4 -1.639 4.343 4.153 1.00 0.00 H new ATOM 0 HB THR A 4 -0.875 6.612 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.512 6.648 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.551 8.421 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.104 8.010 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.650 7.440 4.062 1.00 0.00 H new ATOM 67 N PHE A 5 -3.751 5.769 2.130 1.00 0.00 N ATOM 68 CA PHE A 5 -5.097 5.698 1.574 1.00 0.00 C ATOM 69 C PHE A 5 -5.574 4.252 1.486 1.00 0.00 C ATOM 70 O PHE A 5 -6.763 3.968 1.638 1.00 0.00 O ATOM 71 CB PHE A 5 -5.134 6.344 0.188 1.00 0.00 C ATOM 72 CG PHE A 5 -6.510 6.401 -0.412 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.621 6.604 0.390 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.692 6.250 -1.777 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.889 6.657 -0.158 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.957 6.302 -2.331 1.00 0.00 C ATOM 77 CZ PHE A 5 -9.057 6.505 -1.520 1.00 0.00 C ATOM 0 H PHE A 5 -3.104 6.350 1.596 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.767 6.243 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.735 7.356 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.478 5.787 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.495 6.722 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.836 6.090 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.747 6.817 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.086 6.184 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.047 6.545 -1.951 1.00 0.00 H new ATOM 87 N ASP A 6 -4.639 3.341 1.239 1.00 0.00 N ATOM 88 CA ASP A 6 -4.963 1.923 1.131 1.00 0.00 C ATOM 89 C ASP A 6 -5.624 1.417 2.410 1.00 0.00 C ATOM 90 O ASP A 6 -6.808 1.082 2.416 1.00 0.00 O ATOM 91 CB ASP A 6 -3.700 1.111 0.840 1.00 0.00 C ATOM 92 CG ASP A 6 -3.811 0.305 -0.439 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.510 -0.730 -0.430 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.201 0.711 -1.450 1.00 0.00 O ATOM 0 H ASP A 6 -3.651 3.559 1.110 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.665 1.798 0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.847 1.785 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.504 0.438 1.674 1.00 0.00 H new ATOM 99 N ASP A 7 -4.851 1.365 3.489 1.00 0.00 N ATOM 100 CA ASP A 7 -5.362 0.901 4.773 1.00 0.00 C ATOM 101 C ASP A 7 -6.555 1.740 5.219 1.00 0.00 C ATOM 102 O ASP A 7 -7.439 1.254 5.926 1.00 0.00 O ATOM 103 CB ASP A 7 -4.261 0.954 5.833 1.00 0.00 C ATOM 104 CG ASP A 7 -4.265 -0.266 6.734 1.00 0.00 C ATOM 105 OD1 ASP A 7 -5.306 -0.529 7.370 1.00 0.00 O ATOM 106 OD2 ASP A 7 -3.226 -0.956 6.803 1.00 0.00 O ATOM 0 H ASP A 7 -3.868 1.638 3.500 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.691 -0.131 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.291 1.036 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.388 1.851 6.440 1.00 0.00 H new ATOM 111 N ILE A 8 -6.574 3.001 4.803 1.00 0.00 N ATOM 112 CA ILE A 8 -7.658 3.907 5.159 1.00 0.00 C ATOM 113 C ILE A 8 -8.946 3.537 4.431 1.00 0.00 C ATOM 114 O ILE A 8 -10.040 3.654 4.982 1.00 0.00 O ATOM 115 CB ILE A 8 -7.300 5.370 4.834 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.444 5.968 5.951 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.564 6.192 4.630 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.965 7.373 5.659 1.00 0.00 C ATOM 0 H ILE A 8 -5.850 3.419 4.218 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.810 3.809 6.234 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.723 5.391 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.021 5.974 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.580 5.326 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.295 7.223 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.139 5.775 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.165 6.167 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.364 7.733 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.361 7.370 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.824 8.029 5.521 1.00 0.00 H new ATOM 130 N LYS A 9 -8.808 3.087 3.188 1.00 0.00 N ATOM 131 CA LYS A 9 -9.959 2.696 2.383 1.00 0.00 C ATOM 132 C LYS A 9 -10.492 1.335 2.822 1.00 0.00 C ATOM 133 O LYS A 9 -11.654 1.006 2.583 1.00 0.00 O ATOM 134 CB LYS A 9 -9.580 2.653 0.901 1.00 0.00 C ATOM 135 CG LYS A 9 -9.178 1.271 0.415 1.00 0.00 C ATOM 136 CD LYS A 9 -8.217 1.350 -0.758 1.00 0.00 C ATOM 137 CE LYS A 9 -8.817 0.735 -2.013 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.861 -0.751 -1.936 1.00 0.00 N ATOM 0 H LYS A 9 -7.910 2.984 2.716 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.743 3.439 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.424 3.006 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.756 3.345 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.712 0.719 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.068 0.715 0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.960 2.392 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.291 0.834 -0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.826 1.121 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.231 1.036 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.276 -1.132 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.896 -1.121 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.441 -1.039 -1.123 1.00 0.00 H new ATOM 152 N LYS A 10 -9.636 0.549 3.466 1.00 0.00 N ATOM 153 CA LYS A 10 -10.021 -0.775 3.941 1.00 0.00 C ATOM 154 C LYS A 10 -10.757 -0.682 5.273 1.00 0.00 C ATOM 155 O LYS A 10 -11.672 -1.461 5.543 1.00 0.00 O ATOM 156 CB LYS A 10 -8.785 -1.665 4.089 1.00 0.00 C ATOM 157 CG LYS A 10 -8.346 -1.860 5.530 1.00 0.00 C ATOM 158 CD LYS A 10 -7.038 -2.630 5.615 1.00 0.00 C ATOM 159 CE LYS A 10 -7.273 -4.132 5.570 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.376 -4.804 4.590 1.00 0.00 N ATOM 0 H LYS A 10 -8.670 0.806 3.671 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.693 -1.217 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.994 -2.639 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.962 -1.227 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.229 -0.889 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.121 -2.396 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.388 -2.337 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.520 -2.369 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.110 -4.555 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.312 -4.329 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.567 -5.826 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.549 -4.418 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.384 -4.637 4.856 1.00 0.00 H new ATOM 174 N ILE A 11 -10.353 0.275 6.102 1.00 0.00 N ATOM 175 CA ILE A 11 -10.976 0.471 7.405 1.00 0.00 C ATOM 176 C ILE A 11 -12.346 1.126 7.266 1.00 0.00 C ATOM 177 O ILE A 11 -13.278 0.801 8.002 1.00 0.00 O ATOM 178 CB ILE A 11 -10.096 1.336 8.326 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.755 2.662 7.643 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.827 0.587 8.703 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.922 3.588 8.502 1.00 0.00 C ATOM 0 H ILE A 11 -9.597 0.927 5.894 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.092 -0.517 7.851 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.652 1.551 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.217 2.457 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.680 3.169 7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.216 1.212 9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.089 -0.333 9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.266 0.345 7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.718 4.508 7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.466 3.823 9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.980 3.101 8.755 1.00 0.00 H new ATOM 193 N ILE A 12 -12.461 2.049 6.317 1.00 0.00 N ATOM 194 CA ILE A 12 -13.717 2.748 6.080 1.00 0.00 C ATOM 195 C ILE A 12 -14.688 1.881 5.285 1.00 0.00 C ATOM 196 O ILE A 12 -15.903 1.983 5.447 1.00 0.00 O ATOM 197 CB ILE A 12 -13.492 4.071 5.324 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.992 3.794 3.904 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.504 4.950 6.077 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.769 5.047 3.087 1.00 0.00 C ATOM 0 H ILE A 12 -11.699 2.330 5.700 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.145 2.966 7.058 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.442 4.600 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.058 3.235 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.714 3.159 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.355 5.881 5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.896 5.171 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.551 4.429 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.415 4.775 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.706 5.597 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.025 5.674 3.578 1.00 0.00 H new ATOM 212 N SER A 13 -14.141 1.025 4.427 1.00 0.00 N ATOM 213 CA SER A 13 -14.958 0.140 3.605 1.00 0.00 C ATOM 214 C SER A 13 -15.433 -1.065 4.411 1.00 0.00 C ATOM 215 O SER A 13 -16.451 -1.679 4.092 1.00 0.00 O ATOM 216 CB SER A 13 -14.168 -0.329 2.382 1.00 0.00 C ATOM 217 OG SER A 13 -14.969 -1.135 1.536 1.00 0.00 O ATOM 0 H SER A 13 -13.136 0.926 4.283 1.00 0.00 H new ATOM 0 HA SER A 13 -15.832 0.699 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.803 0.536 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.293 -0.893 2.705 1.00 0.00 H new ATOM 0 HG SER A 13 -14.442 -1.421 0.761 1.00 0.00 H new ATOM 223 N LYS A 14 -14.686 -1.400 5.458 1.00 0.00 N ATOM 224 CA LYS A 14 -15.029 -2.530 6.313 1.00 0.00 C ATOM 225 C LYS A 14 -15.824 -2.071 7.531 1.00 0.00 C ATOM 226 O LYS A 14 -16.531 -2.861 8.155 1.00 0.00 O ATOM 227 CB LYS A 14 -13.760 -3.258 6.764 1.00 0.00 C ATOM 228 CG LYS A 14 -13.007 -2.539 7.869 1.00 0.00 C ATOM 229 CD LYS A 14 -13.241 -3.194 9.220 1.00 0.00 C ATOM 230 CE LYS A 14 -13.112 -2.191 10.356 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.037 -2.863 11.683 1.00 0.00 N ATOM 0 H LYS A 14 -13.839 -0.904 5.735 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.649 -3.215 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.027 -4.257 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.099 -3.383 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.941 -2.539 7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.325 -1.497 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.234 -3.643 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.523 -4.002 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.219 -1.584 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.965 -1.513 10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.950 -2.146 12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.900 -3.422 11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.209 -3.491 11.708 1.00 0.00 H new ATOM 245 N GLN A 15 -15.704 -0.789 7.860 1.00 0.00 N ATOM 246 CA GLN A 15 -16.413 -0.225 9.003 1.00 0.00 C ATOM 247 C GLN A 15 -17.811 0.235 8.604 1.00 0.00 C ATOM 248 O GLN A 15 -18.804 -0.431 8.901 1.00 0.00 O ATOM 249 CB GLN A 15 -15.625 0.947 9.591 1.00 0.00 C ATOM 250 CG GLN A 15 -16.322 1.622 10.762 1.00 0.00 C ATOM 251 CD GLN A 15 -16.944 0.628 11.722 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.180 -0.392 12.096 1.00 0.00 O flip ATOM 253 NE2 GLN A 15 -18.099 0.774 12.123 1.00 0.00 N flip ATOM 0 H GLN A 15 -15.123 -0.122 7.352 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.510 -1.004 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.648 0.590 9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.450 1.685 8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.604 2.240 11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.096 2.289 10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.650 1.573 11.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.504 0.096 12.768 1.00 0.00 H new ATOM 262 N LEU A 16 -17.882 1.378 7.930 1.00 0.00 N ATOM 263 CA LEU A 16 -19.159 1.928 7.490 1.00 0.00 C ATOM 264 C LEU A 16 -19.490 1.470 6.073 1.00 0.00 C ATOM 265 O LEU A 16 -20.643 1.527 5.645 1.00 0.00 O ATOM 266 CB LEU A 16 -19.126 3.456 7.549 1.00 0.00 C ATOM 267 CG LEU A 16 -18.460 4.066 8.783 1.00 0.00 C ATOM 268 CD1 LEU A 16 -16.976 4.284 8.536 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.138 5.374 9.164 1.00 0.00 C ATOM 0 H LEU A 16 -17.070 1.941 7.677 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.935 1.561 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.608 3.823 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.151 3.824 7.495 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.570 3.368 9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.519 4.719 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.500 3.329 8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.843 4.961 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.651 5.794 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.061 6.079 8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.189 5.188 9.385 1.00 0.00 H new ATOM 281 N SER A 17 -18.471 1.015 5.351 1.00 0.00 N ATOM 282 CA SER A 17 -18.653 0.548 3.981 1.00 0.00 C ATOM 283 C SER A 17 -19.119 1.685 3.077 1.00 0.00 C ATOM 284 O SER A 17 -20.208 1.633 2.505 1.00 0.00 O ATOM 285 CB SER A 17 -19.666 -0.598 3.941 1.00 0.00 C ATOM 286 OG SER A 17 -19.544 -1.345 2.743 1.00 0.00 O ATOM 0 H SER A 17 -17.511 0.960 5.691 1.00 0.00 H new ATOM 0 HA SER A 17 -17.692 0.187 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.513 -1.253 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.676 -0.197 4.022 1.00 0.00 H new ATOM 0 HG SER A 17 -20.201 -2.072 2.743 1.00 0.00 H new ATOM 292 N VAL A 18 -18.286 2.713 2.954 1.00 0.00 N ATOM 293 CA VAL A 18 -18.610 3.864 2.119 1.00 0.00 C ATOM 294 C VAL A 18 -17.711 3.922 0.889 1.00 0.00 C ATOM 295 O VAL A 18 -17.005 2.963 0.580 1.00 0.00 O ATOM 296 CB VAL A 18 -18.474 5.183 2.903 1.00 0.00 C ATOM 297 CG1 VAL A 18 -19.253 5.111 4.208 1.00 0.00 C ATOM 298 CG2 VAL A 18 -17.009 5.498 3.163 1.00 0.00 C ATOM 0 H VAL A 18 -17.382 2.773 3.422 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.646 3.743 1.803 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.894 5.989 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -19.145 6.051 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.307 4.934 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.866 4.295 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.931 6.433 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.561 4.692 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.483 5.595 2.213 1.00 0.00 H new ATOM 308 N GLU A 19 -17.742 5.053 0.192 1.00 0.00 N ATOM 309 CA GLU A 19 -16.929 5.235 -1.004 1.00 0.00 C ATOM 310 C GLU A 19 -15.668 6.035 -0.689 1.00 0.00 C ATOM 311 O GLU A 19 -15.734 7.232 -0.413 1.00 0.00 O ATOM 312 CB GLU A 19 -17.736 5.944 -2.094 1.00 0.00 C ATOM 313 CG GLU A 19 -18.603 7.076 -1.569 1.00 0.00 C ATOM 314 CD GLU A 19 -19.249 7.880 -2.681 1.00 0.00 C ATOM 315 OE1 GLU A 19 -18.713 7.871 -3.809 1.00 0.00 O ATOM 316 OE2 GLU A 19 -20.291 8.518 -2.423 1.00 0.00 O ATOM 0 H GLU A 19 -18.321 5.857 0.435 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.633 4.249 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.050 6.340 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.371 5.215 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.380 6.665 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.995 7.738 -0.953 1.00 0.00 H new ATOM 323 N GLU A 20 -14.522 5.363 -0.732 1.00 0.00 N ATOM 324 CA GLU A 20 -13.246 6.011 -0.449 1.00 0.00 C ATOM 325 C GLU A 20 -12.877 6.992 -1.557 1.00 0.00 C ATOM 326 O GLU A 20 -11.920 7.757 -1.431 1.00 0.00 O ATOM 327 CB GLU A 20 -12.141 4.964 -0.291 1.00 0.00 C ATOM 328 CG GLU A 20 -12.085 3.962 -1.432 1.00 0.00 C ATOM 329 CD GLU A 20 -10.821 4.092 -2.260 1.00 0.00 C ATOM 330 OE1 GLU A 20 -9.784 3.529 -1.853 1.00 0.00 O ATOM 331 OE2 GLU A 20 -10.871 4.758 -3.316 1.00 0.00 O ATOM 0 H GLU A 20 -14.451 4.371 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.348 6.565 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.179 5.471 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.292 4.427 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.148 2.952 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.953 4.102 -2.076 1.00 0.00 H new ATOM 338 N ASP A 21 -13.643 6.965 -2.643 1.00 0.00 N ATOM 339 CA ASP A 21 -13.397 7.852 -3.774 1.00 0.00 C ATOM 340 C ASP A 21 -14.053 9.211 -3.551 1.00 0.00 C ATOM 341 O ASP A 21 -14.703 9.753 -4.446 1.00 0.00 O ATOM 342 CB ASP A 21 -13.923 7.223 -5.066 1.00 0.00 C ATOM 343 CG ASP A 21 -13.233 5.914 -5.395 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.404 4.944 -4.627 1.00 0.00 O ATOM 345 OD2 ASP A 21 -12.522 5.859 -6.420 1.00 0.00 O ATOM 0 H ASP A 21 -14.439 6.339 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.321 7.999 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.995 7.052 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.782 7.922 -5.891 1.00 0.00 H new ATOM 350 N LYS A 22 -13.880 9.756 -2.352 1.00 0.00 N ATOM 351 CA LYS A 22 -14.454 11.052 -2.010 1.00 0.00 C ATOM 352 C LYS A 22 -14.183 11.400 -0.550 1.00 0.00 C ATOM 353 O LYS A 22 -14.074 12.573 -0.192 1.00 0.00 O ATOM 354 CB LYS A 22 -15.962 11.050 -2.273 1.00 0.00 C ATOM 355 CG LYS A 22 -16.675 9.830 -1.716 1.00 0.00 C ATOM 356 CD LYS A 22 -17.013 10.005 -0.245 1.00 0.00 C ATOM 357 CE LYS A 22 -18.512 10.148 -0.031 1.00 0.00 C ATOM 358 NZ LYS A 22 -18.829 11.150 1.024 1.00 0.00 N ATOM 0 H LYS A 22 -13.346 9.320 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.982 11.807 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.400 11.947 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.135 11.102 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.590 9.652 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.045 8.950 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.644 9.148 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.503 10.886 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.986 10.444 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.933 9.182 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.860 11.218 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.398 10.855 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.450 12.078 0.747 1.00 0.00 H new ATOM 372 N ILE A 23 -14.072 10.373 0.287 1.00 0.00 N ATOM 373 CA ILE A 23 -13.810 10.571 1.707 1.00 0.00 C ATOM 374 C ILE A 23 -12.533 11.376 1.923 1.00 0.00 C ATOM 375 O ILE A 23 -12.332 11.964 2.986 1.00 0.00 O ATOM 376 CB ILE A 23 -13.689 9.228 2.450 1.00 0.00 C ATOM 377 CG1 ILE A 23 -13.847 9.437 3.957 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.353 8.569 2.138 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.535 8.203 4.774 1.00 0.00 C ATOM 0 H ILE A 23 -14.159 9.396 0.006 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.658 11.124 2.110 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.487 8.568 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.191 10.248 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.869 9.753 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.282 7.621 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.277 8.390 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.541 9.224 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.668 8.425 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.208 7.396 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.504 7.898 4.594 1.00 0.00 H new ATOM 391 N GLN A 24 -11.675 11.399 0.908 1.00 0.00 N ATOM 392 CA GLN A 24 -10.418 12.133 0.988 1.00 0.00 C ATOM 393 C GLN A 24 -10.587 13.559 0.473 1.00 0.00 C ATOM 394 O GLN A 24 -10.828 13.776 -0.714 1.00 0.00 O ATOM 395 CB GLN A 24 -9.332 11.414 0.186 1.00 0.00 C ATOM 396 CG GLN A 24 -8.855 10.122 0.830 1.00 0.00 C ATOM 397 CD GLN A 24 -8.429 10.311 2.272 1.00 0.00 C ATOM 398 OE1 GLN A 24 -9.383 10.213 3.190 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -7.254 10.544 2.559 1.00 0.00 N flip ATOM 0 H GLN A 24 -11.827 10.918 0.021 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.118 12.177 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.714 11.194 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.481 12.084 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.654 9.382 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.018 9.723 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.553 10.611 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.982 10.670 3.534 1.00 0.00 H new ATOM 408 N MET A 25 -10.458 14.527 1.374 1.00 0.00 N ATOM 409 CA MET A 25 -10.596 15.932 1.010 1.00 0.00 C ATOM 410 C MET A 25 -9.316 16.702 1.321 1.00 0.00 C ATOM 411 O MET A 25 -9.235 17.908 1.092 1.00 0.00 O ATOM 412 CB MET A 25 -11.776 16.561 1.753 1.00 0.00 C ATOM 413 CG MET A 25 -13.116 15.933 1.406 1.00 0.00 C ATOM 414 SD MET A 25 -14.257 17.106 0.649 1.00 0.00 S ATOM 415 CE MET A 25 -15.759 16.132 0.597 1.00 0.00 C ATOM 0 H MET A 25 -10.258 14.364 2.361 1.00 0.00 H new ATOM 0 HA MET A 25 -10.781 15.987 -0.063 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.609 16.471 2.826 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.813 17.626 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.956 15.097 0.725 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.567 15.525 2.311 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.560 16.722 0.153 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.592 15.237 -0.003 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.040 15.842 1.610 1.00 0.00 H new ATOM 425 N ASN A 26 -8.319 15.997 1.844 1.00 0.00 N ATOM 426 CA ASN A 26 -7.043 16.615 2.188 1.00 0.00 C ATOM 427 C ASN A 26 -7.227 17.681 3.263 1.00 0.00 C ATOM 428 O ASN A 26 -6.356 18.525 3.470 1.00 0.00 O ATOM 429 CB ASN A 26 -6.402 17.234 0.944 1.00 0.00 C ATOM 430 CG ASN A 26 -6.637 16.403 -0.303 1.00 0.00 C ATOM 431 OD1 ASN A 26 -6.217 15.248 -0.381 1.00 0.00 O ATOM 432 ND2 ASN A 26 -7.311 16.989 -1.285 1.00 0.00 N ATOM 0 H ASN A 26 -8.369 14.997 2.039 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.385 15.839 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.805 18.235 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.330 17.343 1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.500 16.480 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.640 17.948 -1.176 1.00 0.00 H new ATOM 439 N SER A 27 -8.366 17.634 3.946 1.00 0.00 N ATOM 440 CA SER A 27 -8.667 18.598 4.999 1.00 0.00 C ATOM 441 C SER A 27 -8.641 17.930 6.370 1.00 0.00 C ATOM 442 O SER A 27 -7.668 18.050 7.113 1.00 0.00 O ATOM 443 CB SER A 27 -10.034 19.239 4.757 1.00 0.00 C ATOM 444 OG SER A 27 -10.027 20.027 3.579 1.00 0.00 O ATOM 0 H SER A 27 -9.096 16.939 3.789 1.00 0.00 H new ATOM 0 HA SER A 27 -7.901 19.374 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.794 18.462 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.305 19.859 5.611 1.00 0.00 H new ATOM 0 HG SER A 27 -9.831 19.458 2.806 1.00 0.00 H new ATOM 450 N ASN A 28 -9.719 17.224 6.698 1.00 0.00 N ATOM 451 CA ASN A 28 -9.821 16.537 7.980 1.00 0.00 C ATOM 452 C ASN A 28 -10.701 15.296 7.863 1.00 0.00 C ATOM 453 O ASN A 28 -11.431 15.129 6.885 1.00 0.00 O ATOM 454 CB ASN A 28 -10.388 17.479 9.044 1.00 0.00 C ATOM 455 CG ASN A 28 -10.145 18.939 8.712 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.024 19.515 7.901 1.00 0.00 O flip ATOM 457 ND2 ASN A 28 -9.178 19.540 9.180 1.00 0.00 N flip ATOM 0 H ASN A 28 -10.533 17.113 6.094 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.820 16.225 8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.459 17.306 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.935 17.248 10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.528 19.056 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.027 20.522 8.948 1.00 0.00 H new ATOM 464 N PHE A 29 -10.627 14.428 8.866 1.00 0.00 N ATOM 465 CA PHE A 29 -11.416 13.201 8.876 1.00 0.00 C ATOM 466 C PHE A 29 -12.710 13.394 9.661 1.00 0.00 C ATOM 467 O PHE A 29 -13.802 13.139 9.153 1.00 0.00 O ATOM 468 CB PHE A 29 -10.605 12.053 9.481 1.00 0.00 C ATOM 469 CG PHE A 29 -10.001 11.140 8.452 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.106 11.627 7.514 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.328 9.794 8.425 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.550 10.789 6.566 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.774 8.950 7.480 1.00 0.00 C ATOM 474 CZ PHE A 29 -8.883 9.449 6.550 1.00 0.00 C ATOM 0 H PHE A 29 -10.029 14.551 9.683 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.670 12.953 7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.809 12.467 10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.250 11.470 10.139 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.840 12.674 7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.024 9.399 9.151 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.856 11.182 5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.038 7.903 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.447 8.792 5.812 1.00 0.00 H new ATOM 484 N THR A 30 -12.579 13.844 10.905 1.00 0.00 N ATOM 485 CA THR A 30 -13.736 14.069 11.762 1.00 0.00 C ATOM 486 C THR A 30 -14.093 15.550 11.827 1.00 0.00 C ATOM 487 O THR A 30 -14.935 15.962 12.625 1.00 0.00 O ATOM 488 CB THR A 30 -13.486 13.550 13.191 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.679 13.676 13.974 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.354 14.318 13.856 1.00 0.00 C ATOM 0 H THR A 30 -11.683 14.060 11.341 1.00 0.00 H new ATOM 0 HA THR A 30 -14.567 13.517 11.323 1.00 0.00 H new ATOM 0 HB THR A 30 -13.203 12.499 13.127 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.462 13.641 13.385 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.196 13.934 14.864 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.440 14.196 13.274 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.613 15.376 13.908 1.00 0.00 H new ATOM 498 N LYS A 31 -13.447 16.347 10.982 1.00 0.00 N ATOM 499 CA LYS A 31 -13.697 17.783 10.942 1.00 0.00 C ATOM 500 C LYS A 31 -14.172 18.213 9.557 1.00 0.00 C ATOM 501 O LYS A 31 -14.621 19.344 9.369 1.00 0.00 O ATOM 502 CB LYS A 31 -12.430 18.553 11.320 1.00 0.00 C ATOM 503 CG LYS A 31 -11.406 17.712 12.063 1.00 0.00 C ATOM 504 CD LYS A 31 -10.137 18.499 12.345 1.00 0.00 C ATOM 505 CE LYS A 31 -10.058 18.925 13.803 1.00 0.00 C ATOM 506 NZ LYS A 31 -8.713 19.460 14.152 1.00 0.00 N ATOM 0 H LYS A 31 -12.746 16.022 10.316 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.482 18.011 11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.973 18.951 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.705 19.407 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.834 17.362 13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.163 16.828 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.267 17.891 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.105 19.381 11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.814 19.685 14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.287 18.073 14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.700 19.739 15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.994 18.727 13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.504 20.288 13.559 1.00 0.00 H new ATOM 520 N ASP A 32 -14.070 17.305 8.593 1.00 0.00 N ATOM 521 CA ASP A 32 -14.492 17.590 7.227 1.00 0.00 C ATOM 522 C ASP A 32 -15.831 16.927 6.922 1.00 0.00 C ATOM 523 O ASP A 32 -16.855 17.601 6.794 1.00 0.00 O ATOM 524 CB ASP A 32 -13.433 17.110 6.233 1.00 0.00 C ATOM 525 CG ASP A 32 -13.690 17.611 4.826 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.425 16.932 4.078 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.157 18.683 4.472 1.00 0.00 O ATOM 0 H ASP A 32 -13.699 16.365 8.732 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.611 18.669 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.450 17.448 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.410 16.020 6.229 1.00 0.00 H new ATOM 532 N LEU A 33 -15.818 15.604 6.805 1.00 0.00 N ATOM 533 CA LEU A 33 -17.032 14.849 6.513 1.00 0.00 C ATOM 534 C LEU A 33 -17.834 14.596 7.786 1.00 0.00 C ATOM 535 O LEU A 33 -19.014 14.254 7.730 1.00 0.00 O ATOM 536 CB LEU A 33 -16.680 13.519 5.845 1.00 0.00 C ATOM 537 CG LEU A 33 -15.695 12.627 6.601 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.435 11.534 7.356 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.680 12.022 5.643 1.00 0.00 C ATOM 0 H LEU A 33 -14.980 15.031 6.908 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.644 15.440 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.602 12.958 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.266 13.729 4.859 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.160 13.242 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.717 10.909 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.122 11.987 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.997 10.921 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.987 11.390 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.198 11.422 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.126 12.820 5.148 1.00 0.00 H new ATOM 551 N GLY A 34 -17.185 14.769 8.933 1.00 0.00 N ATOM 552 CA GLY A 34 -17.854 14.557 10.203 1.00 0.00 C ATOM 553 C GLY A 34 -17.244 13.418 10.996 1.00 0.00 C ATOM 554 O GLY A 34 -16.662 13.634 12.059 1.00 0.00 O ATOM 0 H GLY A 34 -16.208 15.052 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.806 15.473 10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.909 14.347 10.024 1.00 0.00 H new ATOM 558 N ALA A 35 -17.380 12.201 10.480 1.00 0.00 N ATOM 559 CA ALA A 35 -16.838 11.024 11.147 1.00 0.00 C ATOM 560 C ALA A 35 -17.370 10.905 12.571 1.00 0.00 C ATOM 561 O ALA A 35 -16.941 11.633 13.467 1.00 0.00 O ATOM 562 CB ALA A 35 -15.317 11.074 11.153 1.00 0.00 C ATOM 0 H ALA A 35 -17.861 12.005 9.602 1.00 0.00 H new ATOM 0 HA ALA A 35 -17.160 10.143 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.926 10.189 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.950 11.102 10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.984 11.967 11.682 1.00 0.00 H new ATOM 568 N ASP A 36 -18.308 9.986 12.773 1.00 0.00 N ATOM 569 CA ASP A 36 -18.899 9.772 14.089 1.00 0.00 C ATOM 570 C ASP A 36 -17.947 8.997 14.993 1.00 0.00 C ATOM 571 O ASP A 36 -17.375 7.971 14.628 1.00 0.00 O ATOM 572 CB ASP A 36 -20.225 9.021 13.959 1.00 0.00 C ATOM 573 CG ASP A 36 -21.272 9.820 13.209 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.968 10.960 12.801 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.396 9.305 13.031 1.00 0.00 O ATOM 0 H ASP A 36 -18.676 9.377 12.042 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.085 10.747 14.540 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.055 8.076 13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.601 8.778 14.953 1.00 0.00 H new ATOM 580 N SER A 37 -17.760 9.498 16.227 1.00 0.00 N ATOM 581 CA SER A 37 -16.881 8.932 17.276 1.00 0.00 C ATOM 582 C SER A 37 -16.832 7.395 17.243 1.00 0.00 C ATOM 583 O SER A 37 -15.786 6.776 17.445 1.00 0.00 O ATOM 584 CB SER A 37 -17.398 9.457 18.625 1.00 0.00 C ATOM 585 OG SER A 37 -18.696 8.937 18.916 1.00 0.00 O ATOM 0 H SER A 37 -18.236 10.345 16.538 1.00 0.00 H new ATOM 0 HA SER A 37 -15.852 9.248 17.107 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.704 9.177 19.418 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.435 10.546 18.605 1.00 0.00 H new ATOM 0 HG SER A 37 -19.002 9.285 19.780 1.00 0.00 H new ATOM 590 N LEU A 38 -17.988 6.795 16.985 1.00 0.00 N ATOM 591 CA LEU A 38 -18.099 5.341 16.923 1.00 0.00 C ATOM 592 C LEU A 38 -17.354 4.790 15.712 1.00 0.00 C ATOM 593 O LEU A 38 -16.468 3.946 15.847 1.00 0.00 O ATOM 594 CB LEU A 38 -19.570 4.924 16.865 1.00 0.00 C ATOM 595 CG LEU A 38 -20.531 5.729 17.741 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.227 6.804 16.921 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.551 4.810 18.396 1.00 0.00 C ATOM 0 H LEU A 38 -18.862 7.292 16.815 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.646 4.928 17.824 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.907 4.995 15.831 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.641 3.875 17.152 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.955 6.217 18.527 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.907 7.367 17.561 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.482 7.480 16.500 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.791 6.337 16.114 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.227 5.399 19.016 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.123 4.293 17.625 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.035 4.078 19.017 1.00 0.00 H new ATOM 609 N ASP A 39 -17.717 5.274 14.529 1.00 0.00 N ATOM 610 CA ASP A 39 -17.081 4.832 13.294 1.00 0.00 C ATOM 611 C ASP A 39 -15.630 5.298 13.233 1.00 0.00 C ATOM 612 O ASP A 39 -14.716 4.493 13.044 1.00 0.00 O ATOM 613 CB ASP A 39 -17.850 5.361 12.082 1.00 0.00 C ATOM 614 CG ASP A 39 -19.351 5.345 12.296 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.860 4.347 12.846 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.016 6.330 11.912 1.00 0.00 O ATOM 0 H ASP A 39 -18.449 5.973 14.400 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.095 3.742 13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.527 6.380 11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.604 4.758 11.208 1.00 0.00 H new ATOM 621 N LEU A 40 -15.424 6.600 13.394 1.00 0.00 N ATOM 622 CA LEU A 40 -14.083 7.173 13.357 1.00 0.00 C ATOM 623 C LEU A 40 -13.119 6.360 14.215 1.00 0.00 C ATOM 624 O LEU A 40 -12.107 5.859 13.726 1.00 0.00 O ATOM 625 CB LEU A 40 -14.114 8.624 13.839 1.00 0.00 C ATOM 626 CG LEU A 40 -12.756 9.314 13.979 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.330 9.927 12.654 1.00 0.00 C ATOM 628 CD2 LEU A 40 -12.807 10.377 15.067 1.00 0.00 C ATOM 0 H LEU A 40 -16.168 7.279 13.551 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.732 7.147 12.325 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.724 9.203 13.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.616 8.654 14.806 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.018 8.565 14.265 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.362 10.413 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.253 9.144 11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.070 10.663 12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.832 10.857 15.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.558 11.124 14.811 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.067 9.912 16.018 1.00 0.00 H new ATOM 640 N VAL A 41 -13.443 6.231 15.498 1.00 0.00 N ATOM 641 CA VAL A 41 -12.608 5.476 16.425 1.00 0.00 C ATOM 642 C VAL A 41 -12.556 4.002 16.041 1.00 0.00 C ATOM 643 O VAL A 41 -11.595 3.301 16.359 1.00 0.00 O ATOM 644 CB VAL A 41 -13.121 5.600 17.872 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.304 4.720 18.806 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.084 7.052 18.327 1.00 0.00 C ATOM 0 H VAL A 41 -14.278 6.639 15.919 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.606 5.900 16.365 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.156 5.259 17.903 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.681 4.821 19.824 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.386 3.680 18.490 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.259 5.028 18.774 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.450 7.122 19.351 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.060 7.422 18.282 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.716 7.654 17.674 1.00 0.00 H new ATOM 656 N GLU A 42 -13.595 3.537 15.354 1.00 0.00 N ATOM 657 CA GLU A 42 -13.667 2.145 14.927 1.00 0.00 C ATOM 658 C GLU A 42 -12.694 1.876 13.783 1.00 0.00 C ATOM 659 O GLU A 42 -11.695 1.176 13.953 1.00 0.00 O ATOM 660 CB GLU A 42 -15.092 1.795 14.492 1.00 0.00 C ATOM 661 CG GLU A 42 -15.918 1.139 15.586 1.00 0.00 C ATOM 662 CD GLU A 42 -15.949 -0.372 15.467 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.862 -0.983 15.392 1.00 0.00 O ATOM 664 OE2 GLU A 42 -17.059 -0.944 15.449 1.00 0.00 O ATOM 0 H GLU A 42 -14.398 4.104 15.082 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.388 1.517 15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.596 2.704 14.163 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -15.047 1.127 13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.510 1.415 16.559 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.937 1.524 15.547 1.00 0.00 H new ATOM 671 N LEU A 43 -12.993 2.437 12.616 1.00 0.00 N ATOM 672 CA LEU A 43 -12.145 2.258 11.442 1.00 0.00 C ATOM 673 C LEU A 43 -10.677 2.475 11.792 1.00 0.00 C ATOM 674 O LEU A 43 -9.801 1.754 11.312 1.00 0.00 O ATOM 675 CB LEU A 43 -12.565 3.225 10.334 1.00 0.00 C ATOM 676 CG LEU A 43 -12.422 4.714 10.652 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.150 5.272 10.034 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.639 5.484 10.159 1.00 0.00 C ATOM 0 H LEU A 43 -13.815 3.019 12.458 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.267 1.234 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.974 3.006 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.607 3.026 10.082 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.357 4.830 11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.065 6.333 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.287 4.741 10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.184 5.143 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.520 6.542 10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.735 5.360 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.534 5.102 10.649 1.00 0.00 H new ATOM 690 N ILE A 44 -10.415 3.470 12.633 1.00 0.00 N ATOM 691 CA ILE A 44 -9.053 3.779 13.050 1.00 0.00 C ATOM 692 C ILE A 44 -8.439 2.618 13.826 1.00 0.00 C ATOM 693 O ILE A 44 -7.326 2.183 13.535 1.00 0.00 O ATOM 694 CB ILE A 44 -9.005 5.047 13.921 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.335 6.283 13.081 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.637 5.192 14.571 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.671 7.504 13.907 1.00 0.00 C ATOM 0 H ILE A 44 -11.128 4.076 13.039 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.476 3.951 12.141 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.753 4.956 14.709 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.485 6.512 12.438 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.177 6.054 12.428 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.619 6.093 15.184 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.438 4.323 15.198 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.872 5.264 13.797 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.894 8.341 13.245 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.540 7.293 14.531 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.822 7.759 14.541 1.00 0.00 H new ATOM 709 N MET A 45 -9.174 2.121 14.815 1.00 0.00 N ATOM 710 CA MET A 45 -8.703 1.009 15.632 1.00 0.00 C ATOM 711 C MET A 45 -8.247 -0.154 14.757 1.00 0.00 C ATOM 712 O MET A 45 -7.325 -0.887 15.113 1.00 0.00 O ATOM 713 CB MET A 45 -9.808 0.543 16.583 1.00 0.00 C ATOM 714 CG MET A 45 -10.521 -0.715 16.116 1.00 0.00 C ATOM 715 SD MET A 45 -11.992 -1.082 17.092 1.00 0.00 S ATOM 716 CE MET A 45 -11.259 -1.847 18.536 1.00 0.00 C ATOM 0 H MET A 45 -10.098 2.470 15.070 1.00 0.00 H new ATOM 0 HA MET A 45 -7.852 1.356 16.217 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.376 0.362 17.567 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.539 1.344 16.698 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.803 -0.601 15.069 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.834 -1.559 16.170 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.045 -2.131 19.236 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.703 -2.735 18.235 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.582 -1.141 19.017 1.00 0.00 H new ATOM 726 N ALA A 46 -8.898 -0.317 13.610 1.00 0.00 N ATOM 727 CA ALA A 46 -8.558 -1.389 12.683 1.00 0.00 C ATOM 728 C ALA A 46 -7.270 -1.075 11.930 1.00 0.00 C ATOM 729 O ALA A 46 -6.433 -1.953 11.717 1.00 0.00 O ATOM 730 CB ALA A 46 -9.699 -1.624 11.705 1.00 0.00 C ATOM 0 H ALA A 46 -9.665 0.280 13.300 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.398 -2.299 13.262 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.431 -2.427 11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.598 -1.902 12.255 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.887 -0.711 11.139 1.00 0.00 H new ATOM 736 N LEU A 47 -7.117 0.182 11.527 1.00 0.00 N ATOM 737 CA LEU A 47 -5.930 0.612 10.796 1.00 0.00 C ATOM 738 C LEU A 47 -4.661 0.290 11.579 1.00 0.00 C ATOM 739 O LEU A 47 -3.692 -0.224 11.022 1.00 0.00 O ATOM 740 CB LEU A 47 -5.999 2.114 10.511 1.00 0.00 C ATOM 741 CG LEU A 47 -5.426 2.569 9.169 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.482 4.084 9.051 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.997 2.071 9.002 1.00 0.00 C ATOM 0 H LEU A 47 -7.800 0.921 11.694 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.899 0.069 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.042 2.426 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.470 2.639 11.306 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.034 2.140 8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.070 4.390 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.517 4.417 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.899 4.533 9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.605 2.404 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.377 2.470 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.984 0.982 9.041 1.00 0.00 H new ATOM 755 N GLU A 48 -4.677 0.592 12.873 1.00 0.00 N ATOM 756 CA GLU A 48 -3.528 0.333 13.732 1.00 0.00 C ATOM 757 C GLU A 48 -3.353 -1.165 13.968 1.00 0.00 C ATOM 758 O GLU A 48 -2.235 -1.680 13.944 1.00 0.00 O ATOM 759 CB GLU A 48 -3.690 1.056 15.071 1.00 0.00 C ATOM 760 CG GLU A 48 -4.957 0.676 15.819 1.00 0.00 C ATOM 761 CD GLU A 48 -5.155 1.489 17.083 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.383 2.712 16.972 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.081 0.903 18.183 1.00 0.00 O ATOM 0 H GLU A 48 -5.473 1.016 13.349 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.638 0.711 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.827 0.836 15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.691 2.132 14.896 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.817 0.815 15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.919 -0.383 16.075 1.00 0.00 H new ATOM 770 N GLU A 49 -4.465 -1.856 14.197 1.00 0.00 N ATOM 771 CA GLU A 49 -4.433 -3.294 14.439 1.00 0.00 C ATOM 772 C GLU A 49 -3.845 -4.034 13.241 1.00 0.00 C ATOM 773 O GLU A 49 -3.318 -5.138 13.377 1.00 0.00 O ATOM 774 CB GLU A 49 -5.842 -3.815 14.733 1.00 0.00 C ATOM 775 CG GLU A 49 -5.859 -5.082 15.572 1.00 0.00 C ATOM 776 CD GLU A 49 -7.263 -5.511 15.951 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.078 -4.633 16.302 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.546 -6.726 15.897 1.00 0.00 O ATOM 0 H GLU A 49 -5.398 -1.444 14.220 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.797 -3.477 15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.407 -3.039 15.250 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.354 -4.007 13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.374 -5.886 15.019 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.275 -4.921 16.478 1.00 0.00 H new ATOM 785 N LYS A 50 -3.941 -3.419 12.068 1.00 0.00 N ATOM 786 CA LYS A 50 -3.419 -4.017 10.845 1.00 0.00 C ATOM 787 C LYS A 50 -1.930 -3.723 10.688 1.00 0.00 C ATOM 788 O LYS A 50 -1.151 -4.598 10.308 1.00 0.00 O ATOM 789 CB LYS A 50 -4.184 -3.492 9.628 1.00 0.00 C ATOM 790 CG LYS A 50 -3.505 -3.796 8.304 1.00 0.00 C ATOM 791 CD LYS A 50 -3.266 -5.286 8.130 1.00 0.00 C ATOM 792 CE LYS A 50 -4.575 -6.057 8.060 1.00 0.00 C ATOM 793 NZ LYS A 50 -4.684 -7.066 9.149 1.00 0.00 N ATOM 0 H LYS A 50 -4.376 -2.506 11.938 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.554 -5.097 10.913 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.183 -3.927 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.307 -2.413 9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.122 -3.427 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.554 -3.265 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.692 -5.459 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.667 -5.659 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.411 -5.360 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.651 -6.556 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.472 -7.713 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.798 -7.607 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.858 -6.583 10.053 1.00 0.00 H new ATOM 807 N PHE A 51 -1.541 -2.488 10.983 1.00 0.00 N ATOM 808 CA PHE A 51 -0.146 -2.079 10.876 1.00 0.00 C ATOM 809 C PHE A 51 0.660 -2.572 12.074 1.00 0.00 C ATOM 810 O PHE A 51 1.881 -2.435 12.113 1.00 0.00 O ATOM 811 CB PHE A 51 -0.045 -0.556 10.771 1.00 0.00 C ATOM 812 CG PHE A 51 -0.111 -0.046 9.360 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.676 -0.610 8.368 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.960 0.996 9.024 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.618 -0.142 7.069 1.00 0.00 C ATOM 816 CE2 PHE A 51 -1.023 1.468 7.727 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.234 0.897 6.747 1.00 0.00 C ATOM 0 H PHE A 51 -2.173 -1.752 11.298 1.00 0.00 H new ATOM 0 HA PHE A 51 0.269 -2.527 9.973 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.852 -0.106 11.350 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.892 -0.230 11.223 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.342 -1.424 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.580 1.445 9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.238 -0.588 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.688 2.282 7.480 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.283 1.262 5.732 1.00 0.00 H new ATOM 827 N ASN A 52 -0.036 -3.146 13.051 1.00 0.00 N ATOM 828 CA ASN A 52 0.614 -3.658 14.252 1.00 0.00 C ATOM 829 C ASN A 52 1.152 -2.517 15.109 1.00 0.00 C ATOM 830 O ASN A 52 2.157 -2.668 15.803 1.00 0.00 O ATOM 831 CB ASN A 52 1.752 -4.609 13.875 1.00 0.00 C ATOM 832 CG ASN A 52 2.122 -5.546 15.009 1.00 0.00 C ATOM 833 OD1 ASN A 52 3.284 -5.629 15.406 1.00 0.00 O ATOM 834 ND2 ASN A 52 1.131 -6.258 15.534 1.00 0.00 N ATOM 0 H ASN A 52 -1.049 -3.268 13.034 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.130 -4.204 14.832 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.459 -5.195 13.004 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.628 -4.027 13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.318 -6.906 16.299 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.183 -6.156 15.172 1.00 0.00 H new ATOM 841 N VAL A 53 0.475 -1.374 15.056 1.00 0.00 N ATOM 842 CA VAL A 53 0.883 -0.207 15.828 1.00 0.00 C ATOM 843 C VAL A 53 -0.103 0.079 16.955 1.00 0.00 C ATOM 844 O VAL A 53 -1.222 -0.435 16.962 1.00 0.00 O ATOM 845 CB VAL A 53 1.003 1.043 14.936 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.371 1.097 14.274 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.105 1.060 13.893 1.00 0.00 C ATOM 0 H VAL A 53 -0.359 -1.232 14.486 1.00 0.00 H new ATOM 0 HA VAL A 53 1.860 -0.435 16.253 1.00 0.00 H new ATOM 0 HB VAL A 53 0.895 1.928 15.563 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.437 1.987 13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.145 1.134 15.041 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.513 0.209 13.658 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.006 1.950 13.271 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.030 0.170 13.268 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.074 1.072 14.392 1.00 0.00 H new ATOM 857 N THR A 54 0.319 0.904 17.908 1.00 0.00 N ATOM 858 CA THR A 54 -0.527 1.259 19.042 1.00 0.00 C ATOM 859 C THR A 54 -1.168 2.627 18.842 1.00 0.00 C ATOM 860 O THR A 54 -2.377 2.732 18.634 1.00 0.00 O ATOM 861 CB THR A 54 0.273 1.266 20.358 1.00 0.00 C ATOM 862 OG1 THR A 54 0.896 -0.008 20.560 1.00 0.00 O ATOM 863 CG2 THR A 54 -0.632 1.585 21.539 1.00 0.00 C ATOM 0 H THR A 54 1.241 1.339 17.918 1.00 0.00 H new ATOM 0 HA THR A 54 -1.308 0.501 19.104 1.00 0.00 H new ATOM 0 HB THR A 54 1.039 2.038 20.287 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.404 0.005 21.398 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.045 1.584 22.458 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.083 2.567 21.397 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.417 0.832 21.610 1.00 0.00 H new ATOM 871 N ILE A 55 -0.351 3.673 18.907 1.00 0.00 N ATOM 872 CA ILE A 55 -0.839 5.035 18.731 1.00 0.00 C ATOM 873 C ILE A 55 -1.860 5.396 19.805 1.00 0.00 C ATOM 874 O ILE A 55 -2.388 4.522 20.492 1.00 0.00 O ATOM 875 CB ILE A 55 -1.479 5.230 17.344 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.717 4.424 16.290 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.504 6.705 16.975 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.441 3.173 15.844 1.00 0.00 C ATOM 0 H ILE A 55 0.652 3.603 19.080 1.00 0.00 H new ATOM 0 HA ILE A 55 0.025 5.693 18.818 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.506 4.867 17.379 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.535 5.057 15.422 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.257 4.146 16.692 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.959 6.826 15.992 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.085 7.255 17.715 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.485 7.092 16.953 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.842 2.653 15.097 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.599 2.519 16.702 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.404 3.445 15.412 1.00 0.00 H new ATOM 890 N SER A 56 -2.136 6.689 19.941 1.00 0.00 N ATOM 891 CA SER A 56 -3.093 7.166 20.933 1.00 0.00 C ATOM 892 C SER A 56 -4.199 7.982 20.271 1.00 0.00 C ATOM 893 O SER A 56 -4.443 7.859 19.071 1.00 0.00 O ATOM 894 CB SER A 56 -2.383 8.012 21.992 1.00 0.00 C ATOM 895 OG SER A 56 -2.124 9.319 21.511 1.00 0.00 O ATOM 0 H SER A 56 -1.711 7.425 19.377 1.00 0.00 H new ATOM 0 HA SER A 56 -3.544 6.298 21.414 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.998 8.067 22.890 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.446 7.533 22.276 1.00 0.00 H new ATOM 0 HG SER A 56 -1.671 9.840 22.207 1.00 0.00 H new ATOM 901 N ASP A 57 -4.864 8.816 21.063 1.00 0.00 N ATOM 902 CA ASP A 57 -5.944 9.654 20.555 1.00 0.00 C ATOM 903 C ASP A 57 -5.495 10.431 19.321 1.00 0.00 C ATOM 904 O ASP A 57 -6.315 10.820 18.490 1.00 0.00 O ATOM 905 CB ASP A 57 -6.419 10.624 21.639 1.00 0.00 C ATOM 906 CG ASP A 57 -7.311 9.953 22.665 1.00 0.00 C ATOM 907 OD1 ASP A 57 -7.313 8.706 22.725 1.00 0.00 O ATOM 908 OD2 ASP A 57 -8.006 10.676 23.409 1.00 0.00 O ATOM 0 H ASP A 57 -4.674 8.930 22.059 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.772 9.004 20.272 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.553 11.056 22.141 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.961 11.447 21.174 1.00 0.00 H new ATOM 913 N GLN A 58 -4.189 10.653 19.211 1.00 0.00 N ATOM 914 CA GLN A 58 -3.632 11.386 18.080 1.00 0.00 C ATOM 915 C GLN A 58 -3.954 10.683 16.765 1.00 0.00 C ATOM 916 O GLN A 58 -4.044 11.320 15.715 1.00 0.00 O ATOM 917 CB GLN A 58 -2.118 11.533 18.236 1.00 0.00 C ATOM 918 CG GLN A 58 -1.637 12.973 18.172 1.00 0.00 C ATOM 919 CD GLN A 58 -2.299 13.857 19.210 1.00 0.00 C ATOM 920 OE1 GLN A 58 -2.997 14.814 18.873 1.00 0.00 O ATOM 921 NE2 GLN A 58 -2.084 13.541 20.481 1.00 0.00 N ATOM 0 H GLN A 58 -3.497 10.336 19.891 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.086 12.377 18.062 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.816 11.100 19.189 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.623 10.958 17.453 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.557 12.998 18.315 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.836 13.375 17.178 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.499 12.739 20.715 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.504 14.100 21.224 1.00 0.00 H new ATOM 930 N ASP A 59 -4.126 9.367 16.830 1.00 0.00 N ATOM 931 CA ASP A 59 -4.438 8.577 15.645 1.00 0.00 C ATOM 932 C ASP A 59 -5.711 9.085 14.974 1.00 0.00 C ATOM 933 O ASP A 59 -5.935 8.849 13.787 1.00 0.00 O ATOM 934 CB ASP A 59 -4.595 7.102 16.016 1.00 0.00 C ATOM 935 CG ASP A 59 -3.914 6.180 15.023 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.598 6.640 13.907 1.00 0.00 O ATOM 937 OD2 ASP A 59 -3.699 4.997 15.363 1.00 0.00 O ATOM 0 H ASP A 59 -4.055 8.825 17.691 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.612 8.680 14.941 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.178 6.934 17.009 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.655 6.855 16.069 1.00 0.00 H new ATOM 942 N ALA A 60 -6.541 9.782 15.742 1.00 0.00 N ATOM 943 CA ALA A 60 -7.791 10.323 15.222 1.00 0.00 C ATOM 944 C ALA A 60 -7.663 11.813 14.928 1.00 0.00 C ATOM 945 O ALA A 60 -8.619 12.454 14.489 1.00 0.00 O ATOM 946 CB ALA A 60 -8.924 10.072 16.205 1.00 0.00 C ATOM 0 H ALA A 60 -6.371 9.986 16.727 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.018 9.813 14.286 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.851 10.481 15.804 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.039 8.999 16.362 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.695 10.555 17.155 1.00 0.00 H new ATOM 952 N LEU A 61 -6.477 12.360 15.172 1.00 0.00 N ATOM 953 CA LEU A 61 -6.225 13.777 14.934 1.00 0.00 C ATOM 954 C LEU A 61 -4.965 13.972 14.096 1.00 0.00 C ATOM 955 O LEU A 61 -4.445 15.083 13.986 1.00 0.00 O ATOM 956 CB LEU A 61 -6.087 14.522 16.263 1.00 0.00 C ATOM 957 CG LEU A 61 -7.377 14.715 17.061 1.00 0.00 C ATOM 958 CD1 LEU A 61 -7.623 13.525 17.975 1.00 0.00 C ATOM 959 CD2 LEU A 61 -7.317 16.005 17.867 1.00 0.00 C ATOM 0 H LEU A 61 -5.675 11.844 15.534 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.073 14.184 14.383 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.375 13.982 16.887 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.656 15.503 16.064 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.208 14.786 16.359 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.545 13.681 18.535 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.710 12.618 17.376 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.790 13.422 18.670 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.243 16.126 18.429 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.476 15.963 18.559 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.189 16.851 17.191 1.00 0.00 H new ATOM 971 N LYS A 62 -4.481 12.886 13.504 1.00 0.00 N ATOM 972 CA LYS A 62 -3.284 12.936 12.672 1.00 0.00 C ATOM 973 C LYS A 62 -3.611 12.574 11.227 1.00 0.00 C ATOM 974 O LYS A 62 -3.203 13.270 10.296 1.00 0.00 O ATOM 975 CB LYS A 62 -2.217 11.985 13.219 1.00 0.00 C ATOM 976 CG LYS A 62 -1.064 12.695 13.906 1.00 0.00 C ATOM 977 CD LYS A 62 0.148 11.788 14.042 1.00 0.00 C ATOM 978 CE LYS A 62 -0.163 10.568 14.896 1.00 0.00 C ATOM 979 NZ LYS A 62 0.749 10.464 16.068 1.00 0.00 N ATOM 0 H LYS A 62 -4.899 11.959 13.585 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.898 13.955 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.683 11.298 13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.825 11.382 12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.792 13.584 13.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.380 13.032 14.893 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.477 11.467 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.973 12.345 14.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.195 10.621 15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.077 9.668 14.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.504 9.620 16.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.732 10.388 15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.648 11.311 16.662 1.00 0.00 H new ATOM 993 N ILE A 63 -4.349 11.484 11.047 1.00 0.00 N ATOM 994 CA ILE A 63 -4.732 11.033 9.715 1.00 0.00 C ATOM 995 C ILE A 63 -5.752 11.976 9.088 1.00 0.00 C ATOM 996 O ILE A 63 -6.030 11.899 7.892 1.00 0.00 O ATOM 997 CB ILE A 63 -5.319 9.609 9.751 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.232 8.595 10.114 1.00 0.00 C ATOM 999 CG2 ILE A 63 -5.947 9.262 8.409 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.189 8.259 11.589 1.00 0.00 C ATOM 0 H ILE A 63 -4.694 10.897 11.807 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.826 11.029 9.110 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.095 9.571 10.515 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.396 7.680 9.545 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.262 8.990 9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.358 8.253 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.745 9.970 8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.188 9.314 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.396 7.535 11.774 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.995 9.165 12.163 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.146 7.835 11.894 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.306 12.868 9.903 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.295 13.828 9.427 1.00 0.00 C ATOM 1014 C ASN A 64 -6.873 14.426 8.089 1.00 0.00 C ATOM 1015 O ASN A 64 -7.698 14.628 7.197 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.492 14.942 10.457 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.343 15.931 10.466 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.134 15.432 10.698 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -6.539 17.130 10.265 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.087 12.946 10.896 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.239 13.300 9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.421 15.471 10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.597 14.502 11.449 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.485 17.470 10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.756 17.783 10.273 1.00 0.00 H new ATOM 1026 N THR A 65 -5.580 14.708 7.954 1.00 0.00 N ATOM 1027 CA THR A 65 -5.047 15.284 6.726 1.00 0.00 C ATOM 1028 C THR A 65 -4.291 14.240 5.913 1.00 0.00 C ATOM 1029 O THR A 65 -3.349 13.618 6.404 1.00 0.00 O ATOM 1030 CB THR A 65 -4.107 16.467 7.022 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.823 15.982 7.430 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.686 17.360 8.109 1.00 0.00 C ATOM 0 H THR A 65 -4.883 14.546 8.681 1.00 0.00 H new ATOM 0 HA THR A 65 -5.899 15.643 6.149 1.00 0.00 H new ATOM 0 HB THR A 65 -4.000 17.054 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.143 16.664 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.004 18.189 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.650 17.751 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.819 16.781 9.023 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.709 14.052 4.665 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.069 13.084 3.782 1.00 0.00 C ATOM 1042 C VAL A 66 -2.550 13.167 3.884 1.00 0.00 C ATOM 1043 O VAL A 66 -1.856 12.156 3.780 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.487 13.301 2.315 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.722 12.359 1.397 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -5.988 13.111 2.155 1.00 0.00 C ATOM 0 H VAL A 66 -5.488 14.557 4.243 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.398 12.096 4.104 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.241 14.325 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.030 12.527 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.653 12.548 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.934 11.327 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.266 13.268 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.261 12.099 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.515 13.830 2.783 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.042 14.378 4.088 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.604 14.592 4.204 1.00 0.00 C ATOM 1058 C GLN A 67 -0.059 13.951 5.476 1.00 0.00 C ATOM 1059 O GLN A 67 0.844 13.116 5.424 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.288 16.089 4.196 1.00 0.00 C ATOM 1061 CG GLN A 67 0.920 16.451 3.349 1.00 0.00 C ATOM 1062 CD GLN A 67 2.229 16.278 4.094 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.698 17.194 4.770 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.828 15.099 3.973 1.00 0.00 N ATOM 0 H GLN A 67 -2.604 15.225 4.176 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.121 14.122 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.157 16.633 3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.116 16.421 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.931 15.829 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.829 17.485 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.404 14.368 3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.712 14.925 4.451 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.613 14.348 6.616 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.183 13.811 7.902 1.00 0.00 C ATOM 1075 C ASP A 68 -0.448 12.311 7.981 1.00 0.00 C ATOM 1076 O ASP A 68 0.271 11.579 8.660 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.903 14.530 9.045 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.493 15.985 9.163 1.00 0.00 C ATOM 1079 OD1 ASP A 68 -0.052 16.561 8.147 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.614 16.547 10.271 1.00 0.00 O ATOM 0 H ASP A 68 -1.360 15.039 6.676 1.00 0.00 H new ATOM 0 HA ASP A 68 0.890 13.977 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.980 14.471 8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.690 14.018 9.984 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.485 11.861 7.283 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.844 10.448 7.273 1.00 0.00 C ATOM 1087 C ALA A 69 -0.704 9.596 6.726 1.00 0.00 C ATOM 1088 O ALA A 69 -0.181 8.723 7.420 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.108 10.230 6.455 1.00 0.00 C ATOM 0 H ALA A 69 -2.092 12.454 6.717 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.032 10.139 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.364 9.171 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.927 10.802 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.940 10.561 5.430 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.325 9.853 5.479 1.00 0.00 N ATOM 1096 CA ILE A 70 0.754 9.110 4.840 1.00 0.00 C ATOM 1097 C ILE A 70 2.051 9.233 5.631 1.00 0.00 C ATOM 1098 O ILE A 70 2.861 8.307 5.665 1.00 0.00 O ATOM 1099 CB ILE A 70 0.996 9.596 3.399 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.293 11.097 3.387 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.209 9.282 2.524 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.607 11.640 2.010 1.00 0.00 C ATOM 0 H ILE A 70 -0.749 10.570 4.891 1.00 0.00 H new ATOM 0 HA ILE A 70 0.445 8.065 4.815 1.00 0.00 H new ATOM 0 HB ILE A 70 1.861 9.070 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.435 11.632 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.136 11.298 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.022 9.632 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.379 8.205 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.090 9.784 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.807 12.709 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.484 11.131 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.756 11.471 1.350 1.00 0.00 H new ATOM 1114 N ASP A 71 2.242 10.384 6.268 1.00 0.00 N ATOM 1115 CA ASP A 71 3.440 10.629 7.062 1.00 0.00 C ATOM 1116 C ASP A 71 3.365 9.898 8.399 1.00 0.00 C ATOM 1117 O ASP A 71 4.388 9.615 9.022 1.00 0.00 O ATOM 1118 CB ASP A 71 3.625 12.129 7.296 1.00 0.00 C ATOM 1119 CG ASP A 71 5.042 12.588 7.018 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.963 12.135 7.731 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.232 13.401 6.089 1.00 0.00 O ATOM 0 H ASP A 71 1.582 11.162 6.250 1.00 0.00 H new ATOM 0 HA ASP A 71 4.297 10.248 6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.936 12.681 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.365 12.368 8.327 1.00 0.00 H new ATOM 1126 N TYR A 72 2.147 9.596 8.835 1.00 0.00 N ATOM 1127 CA TYR A 72 1.937 8.901 10.099 1.00 0.00 C ATOM 1128 C TYR A 72 2.241 7.413 9.960 1.00 0.00 C ATOM 1129 O TYR A 72 2.697 6.770 10.906 1.00 0.00 O ATOM 1130 CB TYR A 72 0.499 9.097 10.581 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.199 7.806 10.944 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.074 7.159 12.143 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.133 7.234 10.089 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.561 5.979 12.478 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.774 6.055 10.417 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.484 5.431 11.613 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.120 4.256 11.944 1.00 0.00 O ATOM 0 H TYR A 72 1.290 9.822 8.331 1.00 0.00 H new ATOM 0 HA TYR A 72 2.620 9.325 10.835 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.502 9.755 11.450 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.071 9.602 9.801 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.795 7.586 12.824 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.362 7.719 9.152 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.335 5.488 13.413 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.498 5.624 9.741 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.740 4.007 11.227 1.00 0.00 H new ATOM 1147 N ILE A 73 1.984 6.872 8.774 1.00 0.00 N ATOM 1148 CA ILE A 73 2.231 5.460 8.509 1.00 0.00 C ATOM 1149 C ILE A 73 3.681 5.222 8.104 1.00 0.00 C ATOM 1150 O ILE A 73 4.223 4.137 8.311 1.00 0.00 O ATOM 1151 CB ILE A 73 1.305 4.925 7.400 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.680 5.542 6.051 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.149 5.218 7.737 1.00 0.00 C ATOM 1154 CD1 ILE A 73 0.998 4.881 4.874 1.00 0.00 C ATOM 0 H ILE A 73 1.605 7.390 7.981 1.00 0.00 H new ATOM 0 HA ILE A 73 2.023 4.924 9.435 1.00 0.00 H new ATOM 0 HB ILE A 73 1.431 3.844 7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.423 6.601 6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.760 5.477 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.791 4.834 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.408 4.736 8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.291 6.295 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.310 5.370 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.274 3.827 4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.083 4.969 4.983 1.00 0.00 H new ATOM 1166 N GLU A 74 4.304 6.245 7.527 1.00 0.00 N ATOM 1167 CA GLU A 74 5.693 6.146 7.094 1.00 0.00 C ATOM 1168 C GLU A 74 6.646 6.447 8.247 1.00 0.00 C ATOM 1169 O GLU A 74 7.784 5.977 8.267 1.00 0.00 O ATOM 1170 CB GLU A 74 5.959 7.110 5.935 1.00 0.00 C ATOM 1171 CG GLU A 74 5.191 6.766 4.669 1.00 0.00 C ATOM 1172 CD GLU A 74 6.100 6.343 3.532 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.714 7.230 2.903 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.197 5.126 3.270 1.00 0.00 O ATOM 0 H GLU A 74 3.870 7.150 7.349 1.00 0.00 H new ATOM 0 HA GLU A 74 5.869 5.125 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.696 8.121 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.026 7.113 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.486 5.963 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.605 7.631 4.358 1.00 0.00 H new ATOM 1181 N LYS A 75 6.173 7.234 9.208 1.00 0.00 N ATOM 1182 CA LYS A 75 6.980 7.598 10.366 1.00 0.00 C ATOM 1183 C LYS A 75 6.920 6.511 11.434 1.00 0.00 C ATOM 1184 O LYS A 75 7.902 6.259 12.132 1.00 0.00 O ATOM 1185 CB LYS A 75 6.499 8.929 10.950 1.00 0.00 C ATOM 1186 CG LYS A 75 5.173 8.827 11.684 1.00 0.00 C ATOM 1187 CD LYS A 75 5.375 8.562 13.166 1.00 0.00 C ATOM 1188 CE LYS A 75 4.735 9.647 14.019 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.142 9.543 15.447 1.00 0.00 N ATOM 0 H LYS A 75 5.234 7.632 9.207 1.00 0.00 H new ATOM 0 HA LYS A 75 8.014 7.704 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.256 9.310 11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.404 9.657 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.611 9.752 11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.576 8.026 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.946 7.594 13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.441 8.507 13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.016 10.626 13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.650 9.574 13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.685 10.300 15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.851 8.619 15.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.175 9.638 15.521 1.00 0.00 H new ATOM 1203 N ASN A 76 5.763 5.869 11.555 1.00 0.00 N ATOM 1204 CA ASN A 76 5.576 4.808 12.538 1.00 0.00 C ATOM 1205 C ASN A 76 5.667 3.434 11.879 1.00 0.00 C ATOM 1206 O ASN A 76 6.665 2.729 12.026 1.00 0.00 O ATOM 1207 CB ASN A 76 4.224 4.962 13.236 1.00 0.00 C ATOM 1208 CG ASN A 76 4.365 5.402 14.680 1.00 0.00 C ATOM 1209 OD1 ASN A 76 5.212 4.893 15.415 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.534 6.351 15.093 1.00 0.00 N ATOM 0 H ASN A 76 4.940 6.065 10.985 1.00 0.00 H new ATOM 0 HA ASN A 76 6.371 4.890 13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.620 5.690 12.695 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.689 4.013 13.199 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.582 6.687 16.055 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.848 6.744 14.449 1.00 0.00 H new ATOM 1217 N ASN A 77 4.619 3.062 11.152 1.00 0.00 N ATOM 1218 CA ASN A 77 4.580 1.773 10.471 1.00 0.00 C ATOM 1219 C ASN A 77 4.444 0.631 11.474 1.00 0.00 C ATOM 1220 O ASN A 77 3.402 -0.019 11.554 1.00 0.00 O ATOM 1221 CB ASN A 77 5.843 1.580 9.629 1.00 0.00 C ATOM 1222 CG ASN A 77 5.604 0.690 8.424 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.340 -0.269 8.192 1.00 0.00 O ATOM 1224 ND2 ASN A 77 4.572 1.005 7.651 1.00 0.00 N ATOM 0 H ASN A 77 3.785 3.635 11.019 1.00 0.00 H new ATOM 0 HA ASN A 77 3.709 1.762 9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.205 2.552 9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.627 1.145 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.362 0.443 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.989 1.809 7.882 1.00 0.00 H new