USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -56:sc= 1.3 USER MOD Set 1.2: A 48 THR OG1 : rot 88:sc= 0.0965 USER MOD Set 2.1: A 44 HIS : no HD1:sc= -1.48 X(o=-5.6,f=-5.3) USER MOD Set 2.2: A 46 ASN : amide:sc= -4.08! C(o=-5.6!,f=-14!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.5!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 161:sc= 0.0104 USER MOD Single : A 17 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.44) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 80:sc= 1.07 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 130:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= 0.227 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.122 -8.360 -3.977 1.00 0.00 N ATOM 2 CA ARG A 1 2.183 -6.935 -3.697 1.00 0.00 C ATOM 3 C ARG A 1 2.442 -6.696 -2.209 1.00 0.00 C ATOM 4 O ARG A 1 1.510 -6.452 -1.444 1.00 0.00 O ATOM 5 CB ARG A 1 0.882 -6.238 -4.100 1.00 0.00 C ATOM 6 CG ARG A 1 1.081 -4.725 -4.207 1.00 0.00 C ATOM 7 CD ARG A 1 -0.197 -3.976 -3.823 1.00 0.00 C ATOM 8 NE ARG A 1 -0.673 -3.168 -4.969 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.184 -1.963 -5.293 1.00 0.00 C ATOM 10 NH1 ARG A 1 0.798 -1.419 -4.563 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.678 -1.303 -6.350 1.00 0.00 N ATOM 0 H1 ARG A 1 1.946 -8.507 -4.991 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.025 -8.804 -3.715 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.352 -8.789 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 1 3.002 -6.518 -4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 1 0.536 -6.631 -5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 1 0.106 -6.455 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.898 -4.415 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.368 -4.463 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.968 -4.685 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -0.006 -3.330 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.420 -3.553 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.175 -1.922 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.169 -0.502 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.425 -1.718 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.307 -0.386 -6.598 1.00 0.00 H new ATOM 22 N ILE A 2 3.713 -6.775 -1.841 1.00 0.00 N ATOM 23 CA ILE A 2 4.105 -6.571 -0.458 1.00 0.00 C ATOM 24 C ILE A 2 3.119 -7.294 0.461 1.00 0.00 C ATOM 25 O ILE A 2 2.407 -6.658 1.237 1.00 0.00 O ATOM 26 CB ILE A 2 4.245 -5.078 -0.156 1.00 0.00 C ATOM 27 CG1 ILE A 2 5.280 -4.427 -1.076 1.00 0.00 C ATOM 28 CG2 ILE A 2 4.566 -4.845 1.322 1.00 0.00 C ATOM 29 CD1 ILE A 2 4.758 -3.104 -1.638 1.00 0.00 C ATOM 0 H ILE A 2 4.484 -6.978 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 2 5.088 -7.004 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 2 3.287 -4.598 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.204 -4.253 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.521 -5.104 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.660 -3.775 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.763 -5.252 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.503 -5.341 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.513 -2.662 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.848 -3.285 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.541 -2.420 -0.817 1.00 0.00 H new ATOM 40 N TYR A 3 3.107 -8.614 0.341 1.00 0.00 N ATOM 41 CA TYR A 3 2.219 -9.431 1.152 1.00 0.00 C ATOM 42 C TYR A 3 2.907 -9.871 2.445 1.00 0.00 C ATOM 43 O TYR A 3 2.242 -10.165 3.438 1.00 0.00 O ATOM 44 CB TYR A 3 1.900 -10.668 0.310 1.00 0.00 C ATOM 45 CG TYR A 3 0.451 -11.144 0.427 1.00 0.00 C ATOM 46 CD1 TYR A 3 -0.574 -10.357 -0.058 1.00 0.00 C ATOM 47 CD2 TYR A 3 0.169 -12.358 1.017 1.00 0.00 C ATOM 48 CE1 TYR A 3 -1.938 -10.804 0.052 1.00 0.00 C ATOM 49 CE2 TYR A 3 -1.195 -12.806 1.127 1.00 0.00 C ATOM 50 CZ TYR A 3 -2.181 -12.007 0.639 1.00 0.00 C ATOM 51 OH TYR A 3 -3.471 -12.429 0.743 1.00 0.00 O ATOM 0 H TYR A 3 3.697 -9.138 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 3 1.325 -8.871 1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.116 -10.449 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.563 -11.479 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.353 -9.406 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.971 -12.973 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.750 -10.198 -0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.429 -13.755 1.587 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.494 -13.305 1.182 1.00 0.00 H new ATOM 60 N LYS A 4 4.231 -9.904 2.393 1.00 0.00 N ATOM 61 CA LYS A 4 5.015 -10.304 3.547 1.00 0.00 C ATOM 62 C LYS A 4 5.525 -9.055 4.271 1.00 0.00 C ATOM 63 O LYS A 4 6.731 -8.876 4.434 1.00 0.00 O ATOM 64 CB LYS A 4 6.126 -11.270 3.132 1.00 0.00 C ATOM 65 CG LYS A 4 5.655 -12.722 3.226 1.00 0.00 C ATOM 66 CD LYS A 4 5.909 -13.467 1.915 1.00 0.00 C ATOM 67 CE LYS A 4 4.597 -13.735 1.173 1.00 0.00 C ATOM 68 NZ LYS A 4 4.789 -13.590 -0.287 1.00 0.00 N ATOM 0 H LYS A 4 4.780 -9.660 1.569 1.00 0.00 H new ATOM 0 HA LYS A 4 4.395 -10.853 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.440 -11.051 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.997 -11.124 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.176 -13.225 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.591 -12.748 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.575 -12.880 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.414 -14.411 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.242 -14.740 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.830 -13.041 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.890 -13.775 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.107 -12.623 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.506 -14.270 -0.612 1.00 0.00 H new ATOM 78 N GLY A 5 4.580 -8.222 4.683 1.00 0.00 N ATOM 79 CA GLY A 5 4.917 -6.996 5.383 1.00 0.00 C ATOM 80 C GLY A 5 4.804 -7.179 6.899 1.00 0.00 C ATOM 81 O GLY A 5 4.454 -6.244 7.617 1.00 0.00 O ATOM 0 H GLY A 5 3.581 -8.373 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.932 -6.693 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.253 -6.194 5.060 1.00 0.00 H new ATOM 85 N VAL A 6 5.105 -8.392 7.339 1.00 0.00 N ATOM 86 CA VAL A 6 5.042 -8.711 8.755 1.00 0.00 C ATOM 87 C VAL A 6 6.458 -8.939 9.287 1.00 0.00 C ATOM 88 O VAL A 6 6.790 -8.502 10.388 1.00 0.00 O ATOM 89 CB VAL A 6 4.119 -9.910 8.980 1.00 0.00 C ATOM 90 CG1 VAL A 6 2.679 -9.456 9.225 1.00 0.00 C ATOM 91 CG2 VAL A 6 4.192 -10.888 7.805 1.00 0.00 C ATOM 0 H VAL A 6 5.393 -9.166 6.740 1.00 0.00 H new ATOM 0 HA VAL A 6 4.615 -7.879 9.315 1.00 0.00 H new ATOM 0 HB VAL A 6 4.463 -10.432 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.044 -10.328 9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.644 -8.818 10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.321 -8.898 8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.526 -11.731 7.991 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.888 -10.380 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.214 -11.250 7.696 1.00 0.00 H new ATOM 101 N ILE A 7 7.256 -9.623 8.480 1.00 0.00 N ATOM 102 CA ILE A 7 8.629 -9.914 8.855 1.00 0.00 C ATOM 103 C ILE A 7 9.520 -8.732 8.471 1.00 0.00 C ATOM 104 O ILE A 7 10.577 -8.527 9.065 1.00 0.00 O ATOM 105 CB ILE A 7 9.079 -11.246 8.250 1.00 0.00 C ATOM 106 CG1 ILE A 7 8.080 -12.359 8.571 1.00 0.00 C ATOM 107 CG2 ILE A 7 10.497 -11.601 8.701 1.00 0.00 C ATOM 108 CD1 ILE A 7 7.300 -12.773 7.320 1.00 0.00 C ATOM 0 H ILE A 7 6.978 -9.984 7.568 1.00 0.00 H new ATOM 0 HA ILE A 7 8.711 -10.037 9.935 1.00 0.00 H new ATOM 0 HB ILE A 7 9.103 -11.138 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.609 -13.222 8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.387 -12.020 9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.793 -12.552 8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.187 -10.821 8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.523 -11.684 9.788 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.597 -13.566 7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.753 -11.914 6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.994 -13.135 6.561 1.00 0.00 H new ATOM 119 N GLN A 8 9.060 -7.983 7.478 1.00 0.00 N ATOM 120 CA GLN A 8 9.802 -6.826 7.008 1.00 0.00 C ATOM 121 C GLN A 8 9.550 -5.626 7.923 1.00 0.00 C ATOM 122 O GLN A 8 10.474 -4.879 8.242 1.00 0.00 O ATOM 123 CB GLN A 8 9.441 -6.495 5.559 1.00 0.00 C ATOM 124 CG GLN A 8 10.679 -6.544 4.660 1.00 0.00 C ATOM 125 CD GLN A 8 10.583 -5.507 3.538 1.00 0.00 C ATOM 126 OE1 GLN A 8 9.785 -4.584 3.577 1.00 0.00 O ATOM 127 NE2 GLN A 8 11.436 -5.711 2.540 1.00 0.00 N ATOM 0 H GLN A 8 8.183 -8.156 6.987 1.00 0.00 H new ATOM 0 HA GLN A 8 10.865 -7.064 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.695 -7.202 5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.991 -5.504 5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.573 -6.359 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.782 -7.541 4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.077 -6.504 2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.450 -5.075 1.743 1.00 0.00 H new ATOM 134 N ALA A 9 8.295 -5.477 8.319 1.00 0.00 N ATOM 135 CA ALA A 9 7.910 -4.380 9.191 1.00 0.00 C ATOM 136 C ALA A 9 8.664 -4.499 10.516 1.00 0.00 C ATOM 137 O ALA A 9 9.321 -3.553 10.948 1.00 0.00 O ATOM 138 CB ALA A 9 6.391 -4.388 9.381 1.00 0.00 C ATOM 0 H ALA A 9 7.531 -6.098 8.052 1.00 0.00 H new ATOM 0 HA ALA A 9 8.178 -3.422 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.102 -3.565 10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.903 -4.271 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.085 -5.333 9.830 1.00 0.00 H new ATOM 144 N ILE A 10 8.547 -5.670 11.125 1.00 0.00 N ATOM 145 CA ILE A 10 9.209 -5.925 12.392 1.00 0.00 C ATOM 146 C ILE A 10 10.715 -5.718 12.226 1.00 0.00 C ATOM 147 O ILE A 10 11.418 -5.432 13.196 1.00 0.00 O ATOM 148 CB ILE A 10 8.835 -7.311 12.924 1.00 0.00 C ATOM 149 CG1 ILE A 10 7.330 -7.410 13.180 1.00 0.00 C ATOM 150 CG2 ILE A 10 9.652 -7.660 14.170 1.00 0.00 C ATOM 151 CD1 ILE A 10 6.906 -8.864 13.400 1.00 0.00 C ATOM 0 H ILE A 10 8.003 -6.453 10.763 1.00 0.00 H new ATOM 0 HA ILE A 10 8.870 -5.216 13.147 1.00 0.00 H new ATOM 0 HB ILE A 10 9.083 -8.049 12.161 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.066 -6.814 14.054 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.785 -6.993 12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.366 -8.649 14.527 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.713 -7.656 13.922 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.459 -6.923 14.950 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.832 -8.907 13.580 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.149 -9.452 12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.435 -9.271 14.262 1.00 0.00 H new ATOM 162 N GLN A 11 11.168 -5.869 10.990 1.00 0.00 N ATOM 163 CA GLN A 11 12.579 -5.702 10.685 1.00 0.00 C ATOM 164 C GLN A 11 12.950 -4.217 10.685 1.00 0.00 C ATOM 165 O GLN A 11 13.855 -3.799 11.407 1.00 0.00 O ATOM 166 CB GLN A 11 12.932 -6.355 9.347 1.00 0.00 C ATOM 167 CG GLN A 11 13.472 -7.771 9.553 1.00 0.00 C ATOM 168 CD GLN A 11 14.078 -8.321 8.260 1.00 0.00 C ATOM 169 OE1 GLN A 11 13.436 -9.378 7.768 1.00 0.00 O flip ATOM 170 NE2 GLN A 11 15.062 -7.819 7.743 1.00 0.00 N flip ATOM 0 H GLN A 11 10.583 -6.105 10.188 1.00 0.00 H new ATOM 0 HA GLN A 11 13.160 -6.202 11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.048 -6.388 8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.676 -5.750 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 11 14.227 -7.765 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.668 -8.425 9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.507 -7.008 8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.440 -8.210 6.880 1.00 0.00 H new ATOM 177 N LYS A 12 12.233 -3.461 9.867 1.00 0.00 N ATOM 178 CA LYS A 12 12.475 -2.033 9.763 1.00 0.00 C ATOM 179 C LYS A 12 12.636 -1.444 11.166 1.00 0.00 C ATOM 180 O LYS A 12 13.690 -0.905 11.500 1.00 0.00 O ATOM 181 CB LYS A 12 11.376 -1.361 8.938 1.00 0.00 C ATOM 182 CG LYS A 12 11.475 -1.760 7.464 1.00 0.00 C ATOM 183 CD LYS A 12 10.087 -1.875 6.831 1.00 0.00 C ATOM 184 CE LYS A 12 9.473 -0.492 6.603 1.00 0.00 C ATOM 185 NZ LYS A 12 9.873 0.040 5.281 1.00 0.00 N ATOM 0 H LYS A 12 11.484 -3.811 9.270 1.00 0.00 H new ATOM 0 HA LYS A 12 13.405 -1.843 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.399 -1.643 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.457 -0.278 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.065 -1.021 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.998 -2.712 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.159 -2.406 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.436 -2.464 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.386 -0.555 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.796 0.190 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.448 0.979 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.909 0.119 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.543 -0.604 4.534 1.00 0.00 H new ATOM 195 N SER A 13 11.575 -1.566 11.951 1.00 0.00 N ATOM 196 CA SER A 13 11.586 -1.054 13.310 1.00 0.00 C ATOM 197 C SER A 13 12.814 -1.576 14.057 1.00 0.00 C ATOM 198 O SER A 13 13.272 -0.958 15.016 1.00 0.00 O ATOM 199 CB SER A 13 10.307 -1.442 14.055 1.00 0.00 C ATOM 200 OG SER A 13 9.137 -0.990 13.378 1.00 0.00 O ATOM 0 H SER A 13 10.702 -2.012 11.671 1.00 0.00 H new ATOM 0 HA SER A 13 11.632 0.034 13.265 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.266 -2.526 14.165 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.330 -1.020 15.060 1.00 0.00 H new ATOM 0 HG SER A 13 8.361 -1.499 13.691 1.00 0.00 H new ATOM 205 N ASP A 14 13.313 -2.712 13.590 1.00 0.00 N ATOM 206 CA ASP A 14 14.480 -3.325 14.201 1.00 0.00 C ATOM 207 C ASP A 14 15.747 -2.716 13.597 1.00 0.00 C ATOM 208 O ASP A 14 16.792 -2.680 14.244 1.00 0.00 O ATOM 209 CB ASP A 14 14.509 -4.832 13.941 1.00 0.00 C ATOM 210 CG ASP A 14 14.697 -5.700 15.188 1.00 0.00 C ATOM 211 OD1 ASP A 14 15.353 -5.205 16.129 1.00 0.00 O ATOM 212 OD2 ASP A 14 14.179 -6.837 15.170 1.00 0.00 O ATOM 0 H ASP A 14 12.930 -3.224 12.795 1.00 0.00 H new ATOM 0 HA ASP A 14 14.432 -3.145 15.275 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.577 -5.119 13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.315 -5.049 13.240 1.00 0.00 H new ATOM 216 N GLU A 15 15.611 -2.251 12.363 1.00 0.00 N ATOM 217 CA GLU A 15 16.733 -1.645 11.665 1.00 0.00 C ATOM 218 C GLU A 15 16.778 -0.141 11.939 1.00 0.00 C ATOM 219 O GLU A 15 17.745 0.360 12.511 1.00 0.00 O ATOM 220 CB GLU A 15 16.660 -1.928 10.163 1.00 0.00 C ATOM 221 CG GLU A 15 17.981 -2.502 9.647 1.00 0.00 C ATOM 222 CD GLU A 15 17.952 -2.665 8.127 1.00 0.00 C ATOM 223 OE1 GLU A 15 18.202 -1.650 7.442 1.00 0.00 O ATOM 224 OE2 GLU A 15 17.680 -3.802 7.683 1.00 0.00 O ATOM 0 H GLU A 15 14.742 -2.282 11.829 1.00 0.00 H new ATOM 0 HA GLU A 15 17.654 -2.090 12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.851 -2.630 9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.425 -1.008 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.803 -1.844 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.170 -3.468 10.116 1.00 0.00 H new ATOM 229 N GLY A 16 15.721 0.537 11.517 1.00 0.00 N ATOM 230 CA GLY A 16 15.628 1.974 11.710 1.00 0.00 C ATOM 231 C GLY A 16 16.213 2.385 13.063 1.00 0.00 C ATOM 232 O GLY A 16 17.237 3.065 13.120 1.00 0.00 O ATOM 0 H GLY A 16 14.922 0.118 11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.160 2.487 10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.585 2.286 11.651 1.00 0.00 H new ATOM 236 N HIS A 17 15.538 1.955 14.118 1.00 0.00 N ATOM 237 CA HIS A 17 15.979 2.269 15.467 1.00 0.00 C ATOM 238 C HIS A 17 15.172 1.448 16.475 1.00 0.00 C ATOM 239 O HIS A 17 14.071 0.992 16.169 1.00 0.00 O ATOM 240 CB HIS A 17 15.898 3.775 15.728 1.00 0.00 C ATOM 241 CG HIS A 17 17.238 4.468 15.742 1.00 0.00 C ATOM 242 ND1 HIS A 17 17.372 5.844 15.668 1.00 0.00 N ATOM 243 CD2 HIS A 17 18.503 3.962 15.823 1.00 0.00 C ATOM 244 CE1 HIS A 17 18.663 6.142 15.703 1.00 0.00 C ATOM 245 NE2 HIS A 17 19.362 4.974 15.798 1.00 0.00 N ATOM 0 H HIS A 17 14.689 1.392 14.067 1.00 0.00 H new ATOM 0 HA HIS A 17 17.027 1.995 15.584 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.272 4.233 14.962 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.404 3.941 16.685 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.761 2.916 15.895 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.087 7.134 15.663 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.378 4.892 15.843 1.00 0.00 H new ATOM 253 N PRO A 18 15.765 1.282 17.688 1.00 0.00 N ATOM 254 CA PRO A 18 15.113 0.524 18.742 1.00 0.00 C ATOM 255 C PRO A 18 13.974 1.329 19.371 1.00 0.00 C ATOM 256 O PRO A 18 12.949 0.766 19.752 1.00 0.00 O ATOM 257 CB PRO A 18 16.220 0.191 19.728 1.00 0.00 C ATOM 258 CG PRO A 18 17.351 1.163 19.431 1.00 0.00 C ATOM 259 CD PRO A 18 17.067 1.809 18.084 1.00 0.00 C ATOM 0 HA PRO A 18 14.638 -0.386 18.375 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.873 0.298 20.756 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.551 -0.841 19.610 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.418 1.921 20.212 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.308 0.641 19.410 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.047 2.896 18.162 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.835 1.556 17.354 1.00 0.00 H new ATOM 264 N PHE A 19 14.192 2.633 19.461 1.00 0.00 N ATOM 265 CA PHE A 19 13.196 3.520 20.037 1.00 0.00 C ATOM 266 C PHE A 19 11.833 3.320 19.372 1.00 0.00 C ATOM 267 O PHE A 19 10.803 3.682 19.938 1.00 0.00 O ATOM 268 CB PHE A 19 13.671 4.952 19.780 1.00 0.00 C ATOM 269 CG PHE A 19 14.923 5.343 20.568 1.00 0.00 C ATOM 270 CD1 PHE A 19 14.826 5.651 21.889 1.00 0.00 C ATOM 271 CD2 PHE A 19 16.132 5.383 19.947 1.00 0.00 C ATOM 272 CE1 PHE A 19 15.987 6.014 22.620 1.00 0.00 C ATOM 273 CE2 PHE A 19 17.294 5.746 20.678 1.00 0.00 C ATOM 274 CZ PHE A 19 17.198 6.053 22.000 1.00 0.00 C ATOM 0 H PHE A 19 15.044 3.096 19.145 1.00 0.00 H new ATOM 0 HA PHE A 19 13.084 3.313 21.101 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.872 5.072 18.715 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.865 5.642 20.032 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.865 5.619 22.382 1.00 0.00 H new ATOM 0 HD2 PHE A 19 16.208 5.139 18.898 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.910 6.259 23.669 1.00 0.00 H new ATOM 0 HE2 PHE A 19 18.254 5.778 20.185 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.082 6.327 22.557 1.00 0.00 H new ATOM 283 N ARG A 20 11.871 2.745 18.179 1.00 0.00 N ATOM 284 CA ARG A 20 10.652 2.494 17.430 1.00 0.00 C ATOM 285 C ARG A 20 9.736 1.547 18.209 1.00 0.00 C ATOM 286 O ARG A 20 8.514 1.624 18.093 1.00 0.00 O ATOM 287 CB ARG A 20 10.960 1.881 16.063 1.00 0.00 C ATOM 288 CG ARG A 20 11.688 2.883 15.165 1.00 0.00 C ATOM 289 CD ARG A 20 10.719 3.933 14.617 1.00 0.00 C ATOM 290 NE ARG A 20 11.140 5.284 15.050 1.00 0.00 N ATOM 291 CZ ARG A 20 12.077 6.014 14.429 1.00 0.00 C ATOM 292 NH1 ARG A 20 12.697 5.527 13.346 1.00 0.00 N ATOM 293 NH2 ARG A 20 12.395 7.231 14.892 1.00 0.00 N ATOM 0 H ARG A 20 12.727 2.446 17.713 1.00 0.00 H new ATOM 0 HA ARG A 20 10.152 3.451 17.282 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.573 0.989 16.190 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.033 1.565 15.585 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.481 3.374 15.730 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.165 2.356 14.338 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.693 3.883 13.528 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.709 3.727 14.970 1.00 0.00 H new ATOM 0 HE ARG A 20 10.689 5.685 15.872 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.456 4.601 12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.410 6.083 12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.924 7.602 15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.108 7.786 14.419 1.00 0.00 H new ATOM 304 N ALA A 21 10.363 0.678 18.988 1.00 0.00 N ATOM 305 CA ALA A 21 9.620 -0.283 19.787 1.00 0.00 C ATOM 306 C ALA A 21 8.475 0.436 20.506 1.00 0.00 C ATOM 307 O ALA A 21 7.308 0.239 20.173 1.00 0.00 O ATOM 308 CB ALA A 21 10.570 -0.983 20.759 1.00 0.00 C ATOM 0 H ALA A 21 11.377 0.619 19.083 1.00 0.00 H new ATOM 0 HA ALA A 21 9.180 -1.052 19.152 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.012 -1.703 21.358 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.347 -1.502 20.198 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.029 -0.244 21.415 1.00 0.00 H new ATOM 314 N TYR A 22 8.851 1.253 21.478 1.00 0.00 N ATOM 315 CA TYR A 22 7.871 2.002 22.247 1.00 0.00 C ATOM 316 C TYR A 22 6.800 2.601 21.333 1.00 0.00 C ATOM 317 O TYR A 22 5.674 2.843 21.767 1.00 0.00 O ATOM 318 CB TYR A 22 8.643 3.139 22.921 1.00 0.00 C ATOM 319 CG TYR A 22 8.783 2.982 24.437 1.00 0.00 C ATOM 320 CD1 TYR A 22 9.244 1.794 24.968 1.00 0.00 C ATOM 321 CD2 TYR A 22 8.448 4.027 25.272 1.00 0.00 C ATOM 322 CE1 TYR A 22 9.377 1.646 26.394 1.00 0.00 C ATOM 323 CE2 TYR A 22 8.580 3.880 26.698 1.00 0.00 C ATOM 324 CZ TYR A 22 9.038 2.697 27.189 1.00 0.00 C ATOM 325 OH TYR A 22 9.162 2.558 28.536 1.00 0.00 O ATOM 0 H TYR A 22 9.821 1.413 21.751 1.00 0.00 H new ATOM 0 HA TYR A 22 7.370 1.354 22.966 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.637 3.201 22.479 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.140 4.082 22.708 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.505 0.975 24.314 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.087 4.956 24.856 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.737 0.722 26.823 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.321 4.691 27.363 1.00 0.00 H new ATOM 0 HH TYR A 22 8.885 3.388 28.977 1.00 0.00 H new ATOM 334 N LEU A 23 7.187 2.824 20.086 1.00 0.00 N ATOM 335 CA LEU A 23 6.273 3.390 19.109 1.00 0.00 C ATOM 336 C LEU A 23 5.362 2.286 18.570 1.00 0.00 C ATOM 337 O LEU A 23 4.138 2.393 18.649 1.00 0.00 O ATOM 338 CB LEU A 23 7.048 4.133 18.019 1.00 0.00 C ATOM 339 CG LEU A 23 6.713 5.616 17.850 1.00 0.00 C ATOM 340 CD1 LEU A 23 7.821 6.346 17.089 1.00 0.00 C ATOM 341 CD2 LEU A 23 5.346 5.796 17.184 1.00 0.00 C ATOM 0 H LEU A 23 8.121 2.623 19.730 1.00 0.00 H new ATOM 0 HA LEU A 23 5.630 4.135 19.576 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.113 4.044 18.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.871 3.630 17.068 1.00 0.00 H new ATOM 0 HG LEU A 23 6.652 6.067 18.840 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.557 7.398 16.983 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.758 6.260 17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.939 5.900 16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.131 6.859 17.075 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.355 5.325 16.201 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.577 5.332 17.801 1.00 0.00 H new ATOM 352 N GLU A 24 5.991 1.250 18.035 1.00 0.00 N ATOM 353 CA GLU A 24 5.252 0.127 17.484 1.00 0.00 C ATOM 354 C GLU A 24 4.356 -0.496 18.557 1.00 0.00 C ATOM 355 O GLU A 24 3.320 -1.079 18.242 1.00 0.00 O ATOM 356 CB GLU A 24 6.201 -0.914 16.888 1.00 0.00 C ATOM 357 CG GLU A 24 5.610 -1.533 15.620 1.00 0.00 C ATOM 358 CD GLU A 24 6.101 -2.969 15.429 1.00 0.00 C ATOM 359 OE1 GLU A 24 7.261 -3.119 14.989 1.00 0.00 O ATOM 360 OE2 GLU A 24 5.305 -3.886 15.729 1.00 0.00 O ATOM 0 H GLU A 24 7.005 1.165 17.971 1.00 0.00 H new ATOM 0 HA GLU A 24 4.617 0.494 16.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.159 -0.448 16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.396 -1.696 17.622 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.522 -1.522 15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.888 -0.932 14.754 1.00 0.00 H new ATOM 365 N SER A 25 4.789 -0.351 19.800 1.00 0.00 N ATOM 366 CA SER A 25 4.038 -0.893 20.920 1.00 0.00 C ATOM 367 C SER A 25 2.597 -0.383 20.881 1.00 0.00 C ATOM 368 O SER A 25 1.655 -1.174 20.870 1.00 0.00 O ATOM 369 CB SER A 25 4.695 -0.525 22.253 1.00 0.00 C ATOM 370 OG SER A 25 3.754 -0.497 23.322 1.00 0.00 O ATOM 0 H SER A 25 5.649 0.133 20.057 1.00 0.00 H new ATOM 0 HA SER A 25 4.034 -1.980 20.834 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.481 -1.245 22.481 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.172 0.451 22.165 1.00 0.00 H new ATOM 0 HG SER A 25 4.212 -0.260 24.155 1.00 0.00 H new ATOM 375 N GLU A 26 2.470 0.935 20.859 1.00 0.00 N ATOM 376 CA GLU A 26 1.158 1.560 20.820 1.00 0.00 C ATOM 377 C GLU A 26 0.394 1.112 19.573 1.00 0.00 C ATOM 378 O GLU A 26 -0.835 1.161 19.544 1.00 0.00 O ATOM 379 CB GLU A 26 1.276 3.085 20.875 1.00 0.00 C ATOM 380 CG GLU A 26 1.115 3.596 22.307 1.00 0.00 C ATOM 381 CD GLU A 26 1.315 5.113 22.374 1.00 0.00 C ATOM 382 OE1 GLU A 26 0.402 5.826 21.904 1.00 0.00 O ATOM 383 OE2 GLU A 26 2.375 5.522 22.892 1.00 0.00 O ATOM 0 H GLU A 26 3.254 1.588 20.867 1.00 0.00 H new ATOM 0 HA GLU A 26 0.598 1.241 21.699 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.245 3.393 20.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.516 3.535 20.237 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.123 3.340 22.679 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.837 3.101 22.957 1.00 0.00 H new ATOM 388 N VAL A 27 1.152 0.688 18.574 1.00 0.00 N ATOM 389 CA VAL A 27 0.561 0.233 17.327 1.00 0.00 C ATOM 390 C VAL A 27 0.094 -1.216 17.488 1.00 0.00 C ATOM 391 O VAL A 27 -0.966 -1.589 16.988 1.00 0.00 O ATOM 392 CB VAL A 27 1.556 0.417 16.178 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.059 -0.274 14.907 1.00 0.00 C ATOM 394 CG2 VAL A 27 1.833 1.900 15.925 1.00 0.00 C ATOM 0 H VAL A 27 2.171 0.650 18.602 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.315 0.832 17.079 1.00 0.00 H new ATOM 0 HB VAL A 27 2.495 -0.053 16.469 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.784 -0.128 14.106 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.937 -1.340 15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.101 0.154 14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.543 2.003 15.104 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.902 2.405 15.665 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.251 2.351 16.825 1.00 0.00 H new ATOM 404 N ALA A 28 0.910 -1.992 18.186 1.00 0.00 N ATOM 405 CA ALA A 28 0.594 -3.391 18.420 1.00 0.00 C ATOM 406 C ALA A 28 -0.462 -3.494 19.522 1.00 0.00 C ATOM 407 O ALA A 28 -1.206 -4.471 19.584 1.00 0.00 O ATOM 408 CB ALA A 28 1.875 -4.154 18.765 1.00 0.00 C ATOM 0 H ALA A 28 1.789 -1.679 18.597 1.00 0.00 H new ATOM 0 HA ALA A 28 0.177 -3.845 17.521 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.637 -5.203 18.940 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.580 -4.075 17.937 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.321 -3.728 19.663 1.00 0.00 H new ATOM 414 N ILE A 29 -0.491 -2.473 20.366 1.00 0.00 N ATOM 415 CA ILE A 29 -1.443 -2.436 21.464 1.00 0.00 C ATOM 416 C ILE A 29 -2.845 -2.180 20.909 1.00 0.00 C ATOM 417 O ILE A 29 -3.835 -2.632 21.480 1.00 0.00 O ATOM 418 CB ILE A 29 -1.004 -1.421 22.519 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.186 -1.984 23.931 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.733 -0.089 22.336 1.00 0.00 C ATOM 421 CD1 ILE A 29 -2.647 -1.894 24.373 1.00 0.00 C ATOM 0 H ILE A 29 0.129 -1.665 20.312 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.473 -3.398 21.975 1.00 0.00 H new ATOM 0 HB ILE A 29 0.060 -1.227 22.384 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.858 -3.023 23.957 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.556 -1.433 24.630 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.402 0.615 23.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.510 0.315 21.349 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.808 -0.247 22.429 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.748 -2.301 25.379 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.965 -0.851 24.369 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.271 -2.466 23.686 1.00 0.00 H new ATOM 432 N SER A 30 -2.885 -1.452 19.801 1.00 0.00 N ATOM 433 CA SER A 30 -4.149 -1.130 19.163 1.00 0.00 C ATOM 434 C SER A 30 -4.707 -2.365 18.453 1.00 0.00 C ATOM 435 O SER A 30 -5.922 -2.536 18.359 1.00 0.00 O ATOM 436 CB SER A 30 -3.986 0.024 18.172 1.00 0.00 C ATOM 437 OG SER A 30 -3.148 1.055 18.685 1.00 0.00 O ATOM 0 H SER A 30 -2.062 -1.077 19.330 1.00 0.00 H new ATOM 0 HA SER A 30 -4.852 -0.815 19.935 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.565 -0.355 17.241 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.966 0.438 17.934 1.00 0.00 H new ATOM 0 HG SER A 30 -2.209 0.794 18.583 1.00 0.00 H new ATOM 442 N GLU A 31 -3.794 -3.194 17.971 1.00 0.00 N ATOM 443 CA GLU A 31 -4.180 -4.409 17.272 1.00 0.00 C ATOM 444 C GLU A 31 -5.167 -5.216 18.117 1.00 0.00 C ATOM 445 O GLU A 31 -5.961 -5.989 17.581 1.00 0.00 O ATOM 446 CB GLU A 31 -2.952 -5.247 16.913 1.00 0.00 C ATOM 447 CG GLU A 31 -3.363 -6.635 16.414 1.00 0.00 C ATOM 448 CD GLU A 31 -2.138 -7.528 16.209 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.735 -8.176 17.200 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.632 -7.544 15.066 1.00 0.00 O ATOM 0 H GLU A 31 -2.787 -3.049 18.050 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.673 -4.129 16.341 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.371 -4.737 16.144 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.307 -5.347 17.786 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.039 -7.098 17.132 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.910 -6.541 15.476 1.00 0.00 H new ATOM 455 N GLU A 32 -5.086 -5.011 19.424 1.00 0.00 N ATOM 456 CA GLU A 32 -5.962 -5.710 20.347 1.00 0.00 C ATOM 457 C GLU A 32 -7.373 -5.121 20.288 1.00 0.00 C ATOM 458 O GLU A 32 -8.360 -5.855 20.352 1.00 0.00 O ATOM 459 CB GLU A 32 -5.408 -5.661 21.772 1.00 0.00 C ATOM 460 CG GLU A 32 -5.358 -7.061 22.388 1.00 0.00 C ATOM 461 CD GLU A 32 -5.029 -6.991 23.881 1.00 0.00 C ATOM 462 OE1 GLU A 32 -3.819 -6.968 24.195 1.00 0.00 O ATOM 463 OE2 GLU A 32 -5.994 -6.964 24.675 1.00 0.00 O ATOM 0 H GLU A 32 -4.426 -4.370 19.865 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.013 -6.757 20.047 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.408 -5.228 21.763 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.031 -5.011 22.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.317 -7.559 22.246 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.608 -7.662 21.874 1.00 0.00 H new ATOM 468 N LEU A 33 -7.426 -3.803 20.166 1.00 0.00 N ATOM 469 CA LEU A 33 -8.701 -3.108 20.098 1.00 0.00 C ATOM 470 C LEU A 33 -9.566 -3.746 19.010 1.00 0.00 C ATOM 471 O LEU A 33 -10.763 -3.952 19.206 1.00 0.00 O ATOM 472 CB LEU A 33 -8.482 -1.605 19.908 1.00 0.00 C ATOM 473 CG LEU A 33 -8.517 -0.755 21.180 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.939 -0.282 21.483 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.899 -1.509 22.359 1.00 0.00 C ATOM 0 H LEU A 33 -6.607 -3.198 20.112 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.243 -3.211 21.038 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.517 -1.457 19.423 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.244 -1.231 19.224 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.911 0.135 21.014 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.936 0.320 22.392 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.308 0.318 20.651 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.588 -1.147 21.622 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.936 -0.883 23.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.458 -2.428 22.537 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.862 -1.754 22.131 1.00 0.00 H new ATOM 486 N VAL A 34 -8.929 -4.040 17.888 1.00 0.00 N ATOM 487 CA VAL A 34 -9.626 -4.650 16.768 1.00 0.00 C ATOM 488 C VAL A 34 -10.193 -6.003 17.203 1.00 0.00 C ATOM 489 O VAL A 34 -11.132 -6.511 16.593 1.00 0.00 O ATOM 490 CB VAL A 34 -8.690 -4.754 15.561 1.00 0.00 C ATOM 491 CG1 VAL A 34 -9.371 -5.482 14.401 1.00 0.00 C ATOM 492 CG2 VAL A 34 -8.199 -3.370 15.128 1.00 0.00 C ATOM 0 H VAL A 34 -7.936 -3.867 17.729 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.466 -4.029 16.457 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.821 -5.340 15.860 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.685 -5.542 13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.649 -6.488 14.716 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.266 -4.935 14.103 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.536 -3.472 14.269 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.053 -2.750 14.856 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.658 -2.902 15.951 1.00 0.00 H new ATOM 502 N GLN A 35 -9.597 -6.548 18.254 1.00 0.00 N ATOM 503 CA GLN A 35 -10.031 -7.833 18.777 1.00 0.00 C ATOM 504 C GLN A 35 -11.181 -7.640 19.768 1.00 0.00 C ATOM 505 O GLN A 35 -12.005 -8.536 19.949 1.00 0.00 O ATOM 506 CB GLN A 35 -8.866 -8.582 19.426 1.00 0.00 C ATOM 507 CG GLN A 35 -9.037 -10.095 19.278 1.00 0.00 C ATOM 508 CD GLN A 35 -7.987 -10.848 20.098 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.566 -10.418 21.160 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.590 -11.993 19.549 1.00 0.00 N ATOM 0 H GLN A 35 -8.818 -6.124 18.757 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.391 -8.440 17.946 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.928 -8.272 18.966 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.804 -8.321 20.482 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.036 -10.385 19.605 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.952 -10.373 18.228 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.983 -12.294 18.657 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.892 -12.569 20.020 1.00 0.00 H new ATOM 517 N LYS A 36 -11.198 -6.469 20.385 1.00 0.00 N ATOM 518 CA LYS A 36 -12.233 -6.148 21.353 1.00 0.00 C ATOM 519 C LYS A 36 -13.550 -5.888 20.619 1.00 0.00 C ATOM 520 O LYS A 36 -14.626 -6.048 21.192 1.00 0.00 O ATOM 521 CB LYS A 36 -11.788 -4.990 22.249 1.00 0.00 C ATOM 522 CG LYS A 36 -12.200 -5.231 23.702 1.00 0.00 C ATOM 523 CD LYS A 36 -11.949 -3.987 24.556 1.00 0.00 C ATOM 524 CE LYS A 36 -11.230 -4.351 25.858 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.473 -3.189 26.375 1.00 0.00 N ATOM 0 H LYS A 36 -10.511 -5.730 20.234 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.403 -6.991 22.023 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.706 -4.874 22.189 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.229 -4.059 21.892 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.256 -5.499 23.745 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.640 -6.074 24.107 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.350 -3.270 23.994 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.897 -3.501 24.784 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.956 -4.679 26.602 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.552 -5.186 25.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.992 -3.453 27.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.767 -2.894 25.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.128 -2.402 26.560 1.00 0.00 H new ATOM 535 N TYR A 37 -13.421 -5.491 19.362 1.00 0.00 N ATOM 536 CA TYR A 37 -14.587 -5.207 18.543 1.00 0.00 C ATOM 537 C TYR A 37 -15.531 -6.411 18.495 1.00 0.00 C ATOM 538 O TYR A 37 -16.747 -6.248 18.420 1.00 0.00 O ATOM 539 CB TYR A 37 -14.058 -4.933 17.134 1.00 0.00 C ATOM 540 CG TYR A 37 -14.447 -5.997 16.106 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.838 -7.235 16.130 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.407 -5.718 15.155 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.205 -8.236 15.162 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.773 -6.719 14.186 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.154 -7.928 14.238 1.00 0.00 C ATOM 546 OH TYR A 37 -15.500 -8.874 13.324 1.00 0.00 O ATOM 0 H TYR A 37 -12.526 -5.359 18.890 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.145 -4.364 18.951 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.431 -3.965 16.799 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.971 -4.860 17.173 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.087 -7.453 16.874 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.884 -4.749 15.137 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.737 -9.209 15.170 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.522 -6.514 13.435 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.190 -8.516 12.727 1.00 0.00 H new ATOM 555 N SER A 38 -14.932 -7.592 18.543 1.00 0.00 N ATOM 556 CA SER A 38 -15.704 -8.824 18.507 1.00 0.00 C ATOM 557 C SER A 38 -16.573 -8.934 19.760 1.00 0.00 C ATOM 558 O SER A 38 -17.741 -9.310 19.679 1.00 0.00 O ATOM 559 CB SER A 38 -14.788 -10.044 18.386 1.00 0.00 C ATOM 560 OG SER A 38 -15.326 -11.031 17.511 1.00 0.00 O ATOM 0 H SER A 38 -13.922 -7.722 18.606 1.00 0.00 H new ATOM 0 HA SER A 38 -16.348 -8.799 17.628 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.811 -9.729 18.020 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.633 -10.480 19.373 1.00 0.00 H new ATOM 0 HG SER A 38 -14.711 -11.792 17.459 1.00 0.00 H new ATOM 565 N ASN A 39 -15.969 -8.599 20.891 1.00 0.00 N ATOM 566 CA ASN A 39 -16.674 -8.656 22.161 1.00 0.00 C ATOM 567 C ASN A 39 -17.500 -7.380 22.339 1.00 0.00 C ATOM 568 O ASN A 39 -18.502 -7.379 23.051 1.00 0.00 O ATOM 569 CB ASN A 39 -15.694 -8.751 23.331 1.00 0.00 C ATOM 570 CG ASN A 39 -16.138 -9.818 24.334 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.690 -10.953 24.313 1.00 0.00 O ATOM 572 ND2 ASN A 39 -17.043 -9.392 25.211 1.00 0.00 N ATOM 0 H ASN A 39 -15.000 -8.287 20.955 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.313 -9.539 22.153 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.698 -8.990 22.957 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.624 -7.785 23.830 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -17.404 -10.029 25.921 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -17.376 -8.429 25.173 1.00 0.00 H new ATOM 578 N SER A 40 -17.047 -6.324 21.679 1.00 0.00 N ATOM 579 CA SER A 40 -17.731 -5.045 21.755 1.00 0.00 C ATOM 580 C SER A 40 -18.939 -5.040 20.816 1.00 0.00 C ATOM 581 O SER A 40 -19.933 -4.365 21.079 1.00 0.00 O ATOM 582 CB SER A 40 -16.786 -3.893 21.409 1.00 0.00 C ATOM 583 OG SER A 40 -16.391 -3.160 22.566 1.00 0.00 O ATOM 0 H SER A 40 -16.215 -6.328 21.089 1.00 0.00 H new ATOM 0 HA SER A 40 -18.075 -4.902 22.780 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.901 -4.288 20.910 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.276 -3.221 20.704 1.00 0.00 H new ATOM 0 HG SER A 40 -15.416 -3.065 22.576 1.00 0.00 H new ATOM 588 N ALA A 41 -18.813 -5.801 19.738 1.00 0.00 N ATOM 589 CA ALA A 41 -19.882 -5.893 18.758 1.00 0.00 C ATOM 590 C ALA A 41 -21.195 -6.222 19.471 1.00 0.00 C ATOM 591 O ALA A 41 -22.275 -5.967 18.940 1.00 0.00 O ATOM 592 CB ALA A 41 -19.516 -6.936 17.700 1.00 0.00 C ATOM 0 H ALA A 41 -17.987 -6.359 19.522 1.00 0.00 H new ATOM 0 HA ALA A 41 -20.015 -4.941 18.245 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.318 -7.005 16.965 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.592 -6.641 17.203 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.377 -7.906 18.178 1.00 0.00 H new ATOM 598 N LEU A 42 -21.059 -6.784 20.663 1.00 0.00 N ATOM 599 CA LEU A 42 -22.222 -7.152 21.454 1.00 0.00 C ATOM 600 C LEU A 42 -23.282 -6.055 21.333 1.00 0.00 C ATOM 601 O LEU A 42 -24.478 -6.339 21.355 1.00 0.00 O ATOM 602 CB LEU A 42 -21.813 -7.455 22.897 1.00 0.00 C ATOM 603 CG LEU A 42 -21.418 -8.904 23.192 1.00 0.00 C ATOM 604 CD1 LEU A 42 -22.609 -9.698 23.730 1.00 0.00 C ATOM 605 CD2 LEU A 42 -20.798 -9.564 21.959 1.00 0.00 C ATOM 0 H LEU A 42 -20.162 -6.994 21.101 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.668 -8.071 21.073 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.974 -6.810 23.159 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.640 -7.184 23.553 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.657 -8.899 23.972 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -22.301 -10.724 23.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.966 -9.239 24.652 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -23.410 -9.698 22.991 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.526 -10.593 22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -21.519 -9.558 21.142 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.906 -9.012 21.661 1.00 0.00 H new ATOM 616 N GLY A 43 -22.805 -4.826 21.209 1.00 0.00 N ATOM 617 CA GLY A 43 -23.697 -3.686 21.084 1.00 0.00 C ATOM 618 C GLY A 43 -23.062 -2.583 20.234 1.00 0.00 C ATOM 619 O GLY A 43 -22.842 -1.472 20.715 1.00 0.00 O ATOM 0 H GLY A 43 -21.812 -4.594 21.192 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.637 -4.003 20.632 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -23.935 -3.296 22.074 1.00 0.00 H new ATOM 623 N HIS A 44 -22.786 -2.928 18.985 1.00 0.00 N ATOM 624 CA HIS A 44 -22.181 -1.980 18.063 1.00 0.00 C ATOM 625 C HIS A 44 -21.170 -1.111 18.813 1.00 0.00 C ATOM 626 O HIS A 44 -21.060 0.086 18.549 1.00 0.00 O ATOM 627 CB HIS A 44 -23.253 -1.160 17.346 1.00 0.00 C ATOM 628 CG HIS A 44 -23.069 -1.082 15.849 1.00 0.00 C ATOM 629 ND1 HIS A 44 -23.770 -0.193 15.053 1.00 0.00 N ATOM 630 CD2 HIS A 44 -22.256 -1.790 15.014 1.00 0.00 C ATOM 631 CE1 HIS A 44 -23.389 -0.368 13.796 1.00 0.00 C ATOM 632 NE2 HIS A 44 -22.451 -1.358 13.773 1.00 0.00 N ATOM 0 H HIS A 44 -22.970 -3.850 18.589 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.639 -2.518 17.285 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.230 -1.593 17.559 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.256 -0.149 17.754 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -21.570 -2.570 15.311 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -23.757 0.178 12.940 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -21.977 -1.709 12.940 1.00 0.00 H new ATOM 640 N VAL A 45 -20.457 -1.745 19.732 1.00 0.00 N ATOM 641 CA VAL A 45 -19.459 -1.043 20.521 1.00 0.00 C ATOM 642 C VAL A 45 -18.131 -1.033 19.763 1.00 0.00 C ATOM 643 O VAL A 45 -17.297 -0.154 19.974 1.00 0.00 O ATOM 644 CB VAL A 45 -19.350 -1.677 21.909 1.00 0.00 C ATOM 645 CG1 VAL A 45 -18.529 -0.794 22.851 1.00 0.00 C ATOM 646 CG2 VAL A 45 -20.735 -1.961 22.493 1.00 0.00 C ATOM 0 H VAL A 45 -20.551 -2.737 19.948 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.754 -0.005 20.674 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.830 -2.629 21.802 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.467 -1.267 23.831 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.525 -0.665 22.446 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -19.009 0.180 22.948 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -20.628 -2.411 23.480 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -21.292 -1.028 22.578 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.273 -2.646 21.838 1.00 0.00 H new ATOM 656 N ASN A 46 -17.973 -2.022 18.894 1.00 0.00 N ATOM 657 CA ASN A 46 -16.760 -2.138 18.104 1.00 0.00 C ATOM 658 C ASN A 46 -16.544 -0.844 17.317 1.00 0.00 C ATOM 659 O ASN A 46 -15.417 -0.359 17.210 1.00 0.00 O ATOM 660 CB ASN A 46 -16.864 -3.289 17.101 1.00 0.00 C ATOM 661 CG ASN A 46 -18.280 -3.394 16.532 1.00 0.00 C ATOM 662 OD1 ASN A 46 -19.107 -2.512 16.689 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.512 -4.520 15.865 1.00 0.00 N ATOM 0 H ASN A 46 -18.666 -2.750 18.720 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.930 -2.327 18.785 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.153 -3.134 16.290 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.593 -4.226 17.588 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.428 -4.686 15.447 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.774 -5.218 15.771 1.00 0.00 H new ATOM 669 N CYS A 47 -17.639 -0.320 16.787 1.00 0.00 N ATOM 670 CA CYS A 47 -17.583 0.908 16.013 1.00 0.00 C ATOM 671 C CYS A 47 -17.292 2.066 16.971 1.00 0.00 C ATOM 672 O CYS A 47 -16.828 3.124 16.548 1.00 0.00 O ATOM 673 CB CYS A 47 -18.871 1.136 15.219 1.00 0.00 C ATOM 674 SG CYS A 47 -20.155 1.860 16.302 1.00 0.00 S ATOM 0 H CYS A 47 -18.571 -0.724 16.878 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.785 0.839 15.274 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.676 1.801 14.378 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.224 0.192 14.804 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.332 1.094 17.337 1.00 0.00 H new ATOM 679 N THR A 48 -17.575 1.826 18.243 1.00 0.00 N ATOM 680 CA THR A 48 -17.349 2.835 19.263 1.00 0.00 C ATOM 681 C THR A 48 -15.891 2.809 19.724 1.00 0.00 C ATOM 682 O THR A 48 -15.303 3.856 19.990 1.00 0.00 O ATOM 683 CB THR A 48 -18.350 2.594 20.396 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.620 2.636 19.752 1.00 0.00 O ATOM 685 CG2 THR A 48 -18.398 3.755 21.390 1.00 0.00 C ATOM 0 H THR A 48 -17.959 0.947 18.590 1.00 0.00 H new ATOM 0 HA THR A 48 -17.515 3.839 18.871 1.00 0.00 H new ATOM 0 HB THR A 48 -18.089 1.676 20.922 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.846 1.743 19.416 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.123 3.534 22.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.413 3.893 21.836 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.692 4.667 20.870 1.00 0.00 H new ATOM 693 N ILE A 49 -15.351 1.602 19.807 1.00 0.00 N ATOM 694 CA ILE A 49 -13.972 1.427 20.232 1.00 0.00 C ATOM 695 C ILE A 49 -13.043 1.633 19.034 1.00 0.00 C ATOM 696 O ILE A 49 -12.037 2.332 19.137 1.00 0.00 O ATOM 697 CB ILE A 49 -13.794 0.074 20.923 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.989 -1.077 19.935 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.717 -0.049 22.136 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.684 -1.399 19.202 1.00 0.00 C ATOM 0 H ILE A 49 -15.843 0.736 19.587 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.704 2.177 20.976 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.770 0.012 21.291 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.339 -1.962 20.467 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.761 -0.813 19.212 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.570 -1.020 22.608 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.486 0.741 22.851 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.754 0.045 21.815 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.851 -2.221 18.506 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.349 -0.520 18.652 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.921 -1.686 19.926 1.00 0.00 H new ATOM 711 N LYS A 50 -13.414 1.012 17.924 1.00 0.00 N ATOM 712 CA LYS A 50 -12.628 1.119 16.708 1.00 0.00 C ATOM 713 C LYS A 50 -12.437 2.596 16.356 1.00 0.00 C ATOM 714 O LYS A 50 -11.335 3.018 16.013 1.00 0.00 O ATOM 715 CB LYS A 50 -13.262 0.296 15.584 1.00 0.00 C ATOM 716 CG LYS A 50 -13.024 -1.201 15.798 1.00 0.00 C ATOM 717 CD LYS A 50 -12.926 -1.937 14.461 1.00 0.00 C ATOM 718 CE LYS A 50 -13.275 -3.418 14.625 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.946 -4.167 13.392 1.00 0.00 N ATOM 0 H LYS A 50 -14.249 0.433 17.842 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.635 0.696 16.860 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.333 0.495 15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.843 0.601 14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.106 -1.349 16.367 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.837 -1.621 16.390 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.601 -1.478 13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.917 -1.839 14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.726 -3.836 15.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.336 -3.525 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.845 -5.177 13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.708 -4.041 12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.053 -3.809 12.996 1.00 0.00 H new ATOM 729 N GLU A 51 -13.529 3.340 16.456 1.00 0.00 N ATOM 730 CA GLU A 51 -13.496 4.760 16.152 1.00 0.00 C ATOM 731 C GLU A 51 -12.569 5.490 17.125 1.00 0.00 C ATOM 732 O GLU A 51 -12.148 6.616 16.863 1.00 0.00 O ATOM 733 CB GLU A 51 -14.904 5.360 16.182 1.00 0.00 C ATOM 734 CG GLU A 51 -14.889 6.817 15.717 1.00 0.00 C ATOM 735 CD GLU A 51 -15.387 7.751 16.822 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.484 7.468 17.352 1.00 0.00 O ATOM 737 OE2 GLU A 51 -14.659 8.724 17.113 1.00 0.00 O ATOM 0 H GLU A 51 -14.441 2.986 16.743 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.104 4.886 15.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.565 4.777 15.541 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.307 5.301 17.193 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.877 7.099 15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.517 6.927 14.833 1.00 0.00 H new ATOM 742 N LEU A 52 -12.277 4.818 18.230 1.00 0.00 N ATOM 743 CA LEU A 52 -11.407 5.388 19.245 1.00 0.00 C ATOM 744 C LEU A 52 -9.970 4.927 18.996 1.00 0.00 C ATOM 745 O LEU A 52 -9.028 5.704 19.151 1.00 0.00 O ATOM 746 CB LEU A 52 -11.926 5.055 20.644 1.00 0.00 C ATOM 747 CG LEU A 52 -11.995 6.223 21.631 1.00 0.00 C ATOM 748 CD1 LEU A 52 -13.373 6.886 21.599 1.00 0.00 C ATOM 749 CD2 LEU A 52 -11.606 5.775 23.040 1.00 0.00 C ATOM 0 H LEU A 52 -12.628 3.884 18.444 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.409 6.476 19.181 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.924 4.628 20.547 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.288 4.281 21.072 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.269 6.975 21.322 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.396 7.713 22.309 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.572 7.264 20.596 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.135 6.155 21.869 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.664 6.624 23.721 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.289 4.994 23.375 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.588 5.386 23.030 1.00 0.00 H new ATOM 760 N ARG A 53 -9.845 3.665 18.613 1.00 0.00 N ATOM 761 CA ARG A 53 -8.537 3.091 18.341 1.00 0.00 C ATOM 762 C ARG A 53 -8.092 3.438 16.919 1.00 0.00 C ATOM 763 O ARG A 53 -7.142 4.196 16.730 1.00 0.00 O ATOM 764 CB ARG A 53 -8.560 1.569 18.504 1.00 0.00 C ATOM 765 CG ARG A 53 -7.313 0.934 17.886 1.00 0.00 C ATOM 766 CD ARG A 53 -7.668 0.145 16.625 1.00 0.00 C ATOM 767 NE ARG A 53 -6.504 0.100 15.711 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.568 -0.289 14.431 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.740 -0.669 13.904 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.460 -0.298 13.677 1.00 0.00 N ATOM 0 H ARG A 53 -10.627 3.023 18.484 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.833 3.512 19.059 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.616 1.314 19.562 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.453 1.162 18.030 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.588 1.711 17.642 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.839 0.273 18.612 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.970 -0.868 16.893 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.517 0.609 16.123 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.596 0.383 16.079 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.583 -0.662 14.478 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.789 -0.965 12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.568 -0.009 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.509 -0.594 12.702 1.00 0.00 H new ATOM 781 N ARG A 54 -8.798 2.865 15.955 1.00 0.00 N ATOM 782 CA ARG A 54 -8.486 3.104 14.556 1.00 0.00 C ATOM 783 C ARG A 54 -8.932 4.509 14.146 1.00 0.00 C ATOM 784 O ARG A 54 -8.145 5.278 13.595 1.00 0.00 O ATOM 785 CB ARG A 54 -9.172 2.075 13.655 1.00 0.00 C ATOM 786 CG ARG A 54 -8.372 1.853 12.369 1.00 0.00 C ATOM 787 CD ARG A 54 -8.409 3.096 11.480 1.00 0.00 C ATOM 788 NE ARG A 54 -7.112 3.806 11.548 1.00 0.00 N ATOM 789 CZ ARG A 54 -6.660 4.638 10.601 1.00 0.00 C ATOM 790 NH1 ARG A 54 -7.399 4.872 9.506 1.00 0.00 N ATOM 791 NH2 ARG A 54 -5.471 5.239 10.747 1.00 0.00 N ATOM 0 H ARG A 54 -9.585 2.236 16.115 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.407 3.012 14.436 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.277 1.131 14.190 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.178 2.415 13.408 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.339 1.609 12.617 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.779 1.000 11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.623 2.810 10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.213 3.759 11.801 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.525 3.652 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.305 4.416 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.055 5.506 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.909 5.063 11.580 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.128 5.873 10.025 1.00 0.00 H new ATOM 802 N LEU A 55 -10.193 4.801 14.430 1.00 0.00 N ATOM 803 CA LEU A 55 -10.753 6.100 14.097 1.00 0.00 C ATOM 804 C LEU A 55 -11.298 6.064 12.668 1.00 0.00 C ATOM 805 O LEU A 55 -11.602 7.107 12.089 1.00 0.00 O ATOM 806 CB LEU A 55 -9.722 7.205 14.334 1.00 0.00 C ATOM 807 CG LEU A 55 -10.282 8.566 14.750 1.00 0.00 C ATOM 808 CD1 LEU A 55 -11.569 8.887 13.987 1.00 0.00 C ATOM 809 CD2 LEU A 55 -10.481 8.638 16.265 1.00 0.00 C ATOM 0 H LEU A 55 -10.842 4.161 14.887 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.592 6.333 14.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.029 6.869 15.105 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.143 7.337 13.420 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.552 9.330 14.485 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.946 9.860 14.302 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.362 8.907 12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.317 8.123 14.198 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.880 9.616 16.533 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.180 7.863 16.577 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.524 8.487 16.765 1.00 0.00 H new ATOM 820 N PHE A 56 -11.405 4.853 12.139 1.00 0.00 N ATOM 821 CA PHE A 56 -11.908 4.669 10.788 1.00 0.00 C ATOM 822 C PHE A 56 -12.554 3.291 10.628 1.00 0.00 C ATOM 823 O PHE A 56 -13.625 3.169 10.036 1.00 0.00 O ATOM 824 CB PHE A 56 -10.707 4.768 9.846 1.00 0.00 C ATOM 825 CG PHE A 56 -10.907 5.744 8.684 1.00 0.00 C ATOM 826 CD1 PHE A 56 -10.566 7.053 8.830 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.425 5.303 7.507 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.752 7.958 7.752 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.611 6.209 6.429 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.270 7.517 6.574 1.00 0.00 C ATOM 0 H PHE A 56 -11.152 3.991 12.621 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.663 5.424 10.565 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.833 5.076 10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.492 3.778 9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.154 7.403 9.765 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.695 4.264 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.482 8.997 7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.023 5.859 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.410 8.206 5.754 1.00 0.00 H new ATOM 839 N LEU A 57 -11.875 2.289 11.167 1.00 0.00 N ATOM 840 CA LEU A 57 -12.370 0.924 11.091 1.00 0.00 C ATOM 841 C LEU A 57 -13.882 0.920 11.327 1.00 0.00 C ATOM 842 O LEU A 57 -14.628 0.288 10.580 1.00 0.00 O ATOM 843 CB LEU A 57 -11.595 0.019 12.052 1.00 0.00 C ATOM 844 CG LEU A 57 -10.974 -1.236 11.436 1.00 0.00 C ATOM 845 CD1 LEU A 57 -10.109 -1.977 12.457 1.00 0.00 C ATOM 846 CD2 LEU A 57 -12.050 -2.141 10.832 1.00 0.00 C ATOM 0 H LEU A 57 -10.987 2.394 11.658 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.201 0.512 10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.800 0.606 12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.268 -0.288 12.853 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.318 -0.928 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.679 -2.865 11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.307 -1.322 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.723 -2.273 13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.581 -3.026 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.750 -2.444 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.586 -1.599 10.053 1.00 0.00 H new ATOM 857 N VAL A 58 -14.288 1.631 12.368 1.00 0.00 N ATOM 858 CA VAL A 58 -15.697 1.718 12.711 1.00 0.00 C ATOM 859 C VAL A 58 -16.351 0.349 12.511 1.00 0.00 C ATOM 860 O VAL A 58 -17.100 0.149 11.557 1.00 0.00 O ATOM 861 CB VAL A 58 -16.367 2.826 11.896 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.872 2.874 12.170 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.715 4.182 12.174 1.00 0.00 C ATOM 0 H VAL A 58 -13.666 2.152 12.985 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.819 1.987 13.760 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.226 2.597 10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.324 3.670 11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.322 1.919 11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.043 3.067 13.229 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.210 4.952 11.582 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.810 4.421 13.233 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.660 4.140 11.905 1.00 0.00 H new ATOM 873 N ASP A 59 -16.044 -0.558 13.427 1.00 0.00 N ATOM 874 CA ASP A 59 -16.593 -1.901 13.364 1.00 0.00 C ATOM 875 C ASP A 59 -15.814 -2.716 12.328 1.00 0.00 C ATOM 876 O ASP A 59 -15.294 -3.786 12.641 1.00 0.00 O ATOM 877 CB ASP A 59 -18.062 -1.877 12.939 1.00 0.00 C ATOM 878 CG ASP A 59 -18.878 -3.099 13.363 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.281 -4.197 13.397 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.081 -2.908 13.643 1.00 0.00 O ATOM 0 H ASP A 59 -15.422 -0.388 14.217 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.513 -2.345 14.356 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.530 -0.985 13.354 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.109 -1.786 11.854 1.00 0.00 H new ATOM 884 N ASP A 60 -15.760 -2.180 11.119 1.00 0.00 N ATOM 885 CA ASP A 60 -15.054 -2.843 10.036 1.00 0.00 C ATOM 886 C ASP A 60 -14.753 -1.829 8.932 1.00 0.00 C ATOM 887 O ASP A 60 -13.653 -1.281 8.869 1.00 0.00 O ATOM 888 CB ASP A 60 -15.903 -3.964 9.431 1.00 0.00 C ATOM 889 CG ASP A 60 -15.109 -5.153 8.884 1.00 0.00 C ATOM 890 OD1 ASP A 60 -14.015 -5.405 9.434 1.00 0.00 O ATOM 891 OD2 ASP A 60 -15.615 -5.781 7.930 1.00 0.00 O ATOM 0 H ASP A 60 -16.194 -1.293 10.864 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.134 -3.265 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.594 -4.327 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.507 -3.547 8.625 1.00 0.00 H new TER 895 ASP A 60