USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 522 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 2 GLN : amide:sc= -0.307 K(o=-0.14,f=-5.1!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 153:sc= 0.167 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -121:sc= 0.537! USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.995 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc=-0.00622 (180deg=-0.619) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 67:sc= 0.972 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.1 F(o=-3.4!,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -8.14! C(o=-8.1!,f=-13!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -5.41! C(o=-6.4!,f=-5.4!) USER MOD Single : A 41 GLN : amide:sc= -2.39 K(o=-2.4,f=-8.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0231 K(o=0.023,f=-0.74) USER MOD Single : A 55 THR OG1 : rot -83:sc= 0.931 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 115:sc= 1.6 USER MOD Single : A 60 ASN : amide:sc= -1.98! C(o=-2!,f=-6.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -127:sc= 1.88 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0788 USER MOD Single : A 68 HIS : no HD1:sc= -0.578 X(o=-0.58,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.403 -7.632 12.558 1.00 0.00 N ATOM 2 CA MET A 1 -1.645 -7.489 11.327 1.00 0.00 C ATOM 3 C MET A 1 -1.131 -6.058 11.162 1.00 0.00 C ATOM 4 O MET A 1 -1.650 -5.132 11.782 1.00 0.00 O ATOM 5 CB MET A 1 -2.532 -7.853 10.135 1.00 0.00 C ATOM 6 CG MET A 1 -2.864 -9.347 10.134 1.00 0.00 C ATOM 7 SD MET A 1 -1.698 -10.230 9.110 1.00 0.00 S ATOM 8 CE MET A 1 -1.496 -11.715 10.080 1.00 0.00 C ATOM 0 H1 MET A 1 -1.941 -8.334 13.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.442 -6.716 13.050 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.369 -7.948 12.336 1.00 0.00 H new ATOM 0 HA MET A 1 -0.787 -8.160 11.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.454 -7.272 10.172 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.026 -7.589 9.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.834 -9.735 11.152 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.877 -9.503 9.763 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.794 -12.383 9.581 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.111 -11.456 11.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.459 -12.214 10.186 1.00 0.00 H new ATOM 16 N GLN A 2 -0.116 -5.920 10.321 1.00 0.00 N ATOM 17 CA GLN A 2 0.474 -4.617 10.066 1.00 0.00 C ATOM 18 C GLN A 2 1.545 -4.722 8.979 1.00 0.00 C ATOM 19 O GLN A 2 2.166 -5.771 8.814 1.00 0.00 O ATOM 20 CB GLN A 2 1.053 -4.017 11.349 1.00 0.00 C ATOM 21 CG GLN A 2 2.523 -4.404 11.521 1.00 0.00 C ATOM 22 CD GLN A 2 2.941 -4.327 12.990 1.00 0.00 C ATOM 23 OE1 GLN A 2 2.475 -5.073 13.836 1.00 0.00 O ATOM 24 NE2 GLN A 2 3.844 -3.385 13.248 1.00 0.00 N ATOM 0 H GLN A 2 0.313 -6.690 9.807 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.311 -3.948 9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.960 -2.931 11.321 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.479 -4.364 12.208 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.683 -5.415 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.150 -3.740 10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.194 -2.794 12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.187 -3.254 14.200 1.00 0.00 H new ATOM 31 N ILE A 3 1.729 -3.622 8.265 1.00 0.00 N ATOM 32 CA ILE A 3 2.714 -3.577 7.198 1.00 0.00 C ATOM 33 C ILE A 3 3.249 -2.150 7.063 1.00 0.00 C ATOM 34 O ILE A 3 2.882 -1.269 7.839 1.00 0.00 O ATOM 35 CB ILE A 3 2.126 -4.140 5.902 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.819 -3.431 5.541 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.951 -5.656 5.992 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.554 -3.504 4.035 1.00 0.00 C ATOM 0 H ILE A 3 1.212 -2.754 8.405 1.00 0.00 H new ATOM 0 HA ILE A 3 3.565 -4.215 7.438 1.00 0.00 H new ATOM 0 HB ILE A 3 2.831 -3.946 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.009 -3.889 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.868 -2.388 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.532 -6.030 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.919 -6.124 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.277 -5.896 6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.381 -2.993 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.372 -3.024 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.482 -4.548 3.728 1.00 0.00 H new ATOM 49 N PHE A 4 4.107 -1.965 6.071 1.00 0.00 N ATOM 50 CA PHE A 4 4.697 -0.660 5.824 1.00 0.00 C ATOM 51 C PHE A 4 4.718 -0.343 4.326 1.00 0.00 C ATOM 52 O PHE A 4 4.781 -1.249 3.497 1.00 0.00 O ATOM 53 CB PHE A 4 6.135 -0.713 6.342 1.00 0.00 C ATOM 54 CG PHE A 4 6.257 -1.189 7.791 1.00 0.00 C ATOM 55 CD1 PHE A 4 5.854 -0.380 8.808 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.767 -2.419 8.062 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.967 -0.822 10.154 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.880 -2.861 9.407 1.00 0.00 C ATOM 59 CZ PHE A 4 6.478 -2.053 10.424 1.00 0.00 C ATOM 0 H PHE A 4 4.408 -2.697 5.428 1.00 0.00 H new ATOM 0 HA PHE A 4 4.113 0.113 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.717 -1.377 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.578 0.280 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.448 0.598 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.087 -3.061 7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.647 -0.181 10.962 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.285 -3.839 9.622 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.565 -2.389 11.447 1.00 0.00 H new ATOM 68 N VAL A 5 4.665 0.946 4.026 1.00 0.00 N ATOM 69 CA VAL A 5 4.677 1.395 2.645 1.00 0.00 C ATOM 70 C VAL A 5 5.985 2.140 2.366 1.00 0.00 C ATOM 71 O VAL A 5 6.559 2.749 3.267 1.00 0.00 O ATOM 72 CB VAL A 5 3.434 2.240 2.357 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.609 3.666 2.882 1.00 0.00 C ATOM 74 CG2 VAL A 5 3.106 2.243 0.863 1.00 0.00 C ATOM 0 H VAL A 5 4.614 1.695 4.717 1.00 0.00 H new ATOM 0 HA VAL A 5 4.637 0.543 1.967 1.00 0.00 H new ATOM 0 HB VAL A 5 2.593 1.789 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.712 4.246 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.772 3.640 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.468 4.130 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.219 2.851 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.947 2.658 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.919 1.222 0.530 1.00 0.00 H new ATOM 84 N LYS A 6 6.416 2.064 1.115 1.00 0.00 N ATOM 85 CA LYS A 6 7.645 2.724 0.707 1.00 0.00 C ATOM 86 C LYS A 6 7.333 3.737 -0.394 1.00 0.00 C ATOM 87 O LYS A 6 6.202 4.209 -0.507 1.00 0.00 O ATOM 88 CB LYS A 6 8.701 1.690 0.311 1.00 0.00 C ATOM 89 CG LYS A 6 10.091 2.115 0.788 1.00 0.00 C ATOM 90 CD LYS A 6 10.955 0.896 1.118 1.00 0.00 C ATOM 91 CE LYS A 6 12.351 1.032 0.506 1.00 0.00 C ATOM 92 NZ LYS A 6 13.390 0.769 1.526 1.00 0.00 N ATOM 0 H LYS A 6 5.937 1.556 0.371 1.00 0.00 H new ATOM 0 HA LYS A 6 8.074 3.281 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.446 0.721 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.706 1.567 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.577 2.712 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.999 2.749 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.037 0.786 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.475 -0.007 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.461 0.333 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.480 2.034 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.332 0.865 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.294 1.453 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.276 -0.196 1.897 1.00 0.00 H new ATOM 102 N THR A 7 8.355 4.044 -1.180 1.00 0.00 N ATOM 103 CA THR A 7 8.204 4.994 -2.268 1.00 0.00 C ATOM 104 C THR A 7 9.571 5.360 -2.849 1.00 0.00 C ATOM 105 O THR A 7 10.604 4.970 -2.309 1.00 0.00 O ATOM 106 CB THR A 7 7.425 6.200 -1.739 1.00 0.00 C ATOM 107 OG1 THR A 7 8.015 7.313 -2.405 1.00 0.00 O ATOM 108 CG2 THR A 7 7.693 6.466 -0.257 1.00 0.00 C ATOM 0 H THR A 7 9.291 3.651 -1.084 1.00 0.00 H new ATOM 0 HA THR A 7 7.639 4.563 -3.095 1.00 0.00 H new ATOM 0 HB THR A 7 6.358 6.038 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.369 7.941 -1.741 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.116 7.332 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.399 5.594 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.755 6.662 -0.109 1.00 0.00 H new ATOM 116 N LEU A 8 9.532 6.108 -3.943 1.00 0.00 N ATOM 117 CA LEU A 8 10.755 6.533 -4.603 1.00 0.00 C ATOM 118 C LEU A 8 11.595 7.359 -3.628 1.00 0.00 C ATOM 119 O LEU A 8 12.784 7.577 -3.858 1.00 0.00 O ATOM 120 CB LEU A 8 10.433 7.262 -5.910 1.00 0.00 C ATOM 121 CG LEU A 8 9.591 6.485 -6.922 1.00 0.00 C ATOM 122 CD1 LEU A 8 9.223 7.363 -8.119 1.00 0.00 C ATOM 123 CD2 LEU A 8 10.298 5.197 -7.352 1.00 0.00 C ATOM 0 H LEU A 8 8.673 6.430 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 8 11.355 5.669 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.911 8.187 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.372 7.542 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 8 8.659 6.194 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.624 6.786 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.650 8.224 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.133 7.706 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.677 4.664 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.256 5.443 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.466 4.565 -6.480 1.00 0.00 H new ATOM 134 N THR A 9 10.946 7.796 -2.559 1.00 0.00 N ATOM 135 CA THR A 9 11.619 8.593 -1.548 1.00 0.00 C ATOM 136 C THR A 9 12.044 7.713 -0.371 1.00 0.00 C ATOM 137 O THR A 9 13.108 7.920 0.210 1.00 0.00 O ATOM 138 CB THR A 9 10.683 9.735 -1.147 1.00 0.00 C ATOM 139 OG1 THR A 9 9.450 9.085 -0.850 1.00 0.00 O ATOM 140 CG2 THR A 9 10.346 10.656 -2.321 1.00 0.00 C ATOM 0 H THR A 9 9.960 7.613 -2.371 1.00 0.00 H new ATOM 0 HA THR A 9 12.540 9.029 -1.935 1.00 0.00 H new ATOM 0 HB THR A 9 11.143 10.318 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.785 9.752 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.679 11.449 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.263 11.096 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.855 10.080 -3.106 1.00 0.00 H new ATOM 148 N GLY A 10 11.190 6.750 -0.054 1.00 0.00 N ATOM 149 CA GLY A 10 11.464 5.839 1.043 1.00 0.00 C ATOM 150 C GLY A 10 10.640 6.204 2.278 1.00 0.00 C ATOM 151 O GLY A 10 10.945 7.178 2.967 1.00 0.00 O ATOM 0 H GLY A 10 10.308 6.582 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.235 4.818 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.526 5.868 1.288 1.00 0.00 H new ATOM 155 N LYS A 11 9.611 5.405 2.523 1.00 0.00 N ATOM 156 CA LYS A 11 8.740 5.633 3.663 1.00 0.00 C ATOM 157 C LYS A 11 8.422 4.294 4.332 1.00 0.00 C ATOM 158 O LYS A 11 8.906 3.250 3.898 1.00 0.00 O ATOM 159 CB LYS A 11 7.499 6.421 3.242 1.00 0.00 C ATOM 160 CG LYS A 11 7.445 7.778 3.945 1.00 0.00 C ATOM 161 CD LYS A 11 6.702 8.808 3.092 1.00 0.00 C ATOM 162 CE LYS A 11 5.516 9.399 3.855 1.00 0.00 C ATOM 163 NZ LYS A 11 5.980 10.392 4.849 1.00 0.00 N ATOM 0 H LYS A 11 9.361 4.598 1.951 1.00 0.00 H new ATOM 0 HA LYS A 11 9.242 6.251 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.506 6.567 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.603 5.848 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.948 7.673 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.458 8.129 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.386 9.606 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.350 8.339 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.826 9.871 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.966 8.603 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.161 10.783 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.621 9.932 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.484 11.161 4.363 1.00 0.00 H new ATOM 173 N THR A 12 7.610 4.369 5.376 1.00 0.00 N ATOM 174 CA THR A 12 7.222 3.175 6.108 1.00 0.00 C ATOM 175 C THR A 12 6.161 3.515 7.157 1.00 0.00 C ATOM 176 O THR A 12 6.487 3.750 8.320 1.00 0.00 O ATOM 177 CB THR A 12 8.486 2.551 6.701 1.00 0.00 C ATOM 178 OG1 THR A 12 8.954 1.675 5.680 1.00 0.00 O ATOM 179 CG2 THR A 12 8.183 1.621 7.879 1.00 0.00 C ATOM 0 H THR A 12 7.210 5.237 5.732 1.00 0.00 H new ATOM 0 HA THR A 12 6.759 2.440 5.449 1.00 0.00 H new ATOM 0 HB THR A 12 9.162 3.342 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.246 2.201 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.114 1.205 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.685 2.184 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.534 0.811 7.546 1.00 0.00 H new ATOM 187 N ILE A 13 4.914 3.529 6.710 1.00 0.00 N ATOM 188 CA ILE A 13 3.805 3.837 7.596 1.00 0.00 C ATOM 189 C ILE A 13 3.251 2.537 8.183 1.00 0.00 C ATOM 190 O ILE A 13 3.133 1.535 7.480 1.00 0.00 O ATOM 191 CB ILE A 13 2.755 4.678 6.868 1.00 0.00 C ATOM 192 CG1 ILE A 13 2.261 3.968 5.605 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.289 6.080 6.565 1.00 0.00 C ATOM 194 CD1 ILE A 13 0.773 3.630 5.712 1.00 0.00 C ATOM 0 H ILE A 13 4.647 3.332 5.745 1.00 0.00 H new ATOM 0 HA ILE A 13 4.145 4.447 8.433 1.00 0.00 H new ATOM 0 HB ILE A 13 1.895 4.796 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.432 4.604 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.835 3.054 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.523 6.657 6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.551 6.579 7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.174 6.004 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.448 3.126 4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.609 2.975 6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.200 4.548 5.843 1.00 0.00 H new ATOM 205 N THR A 14 2.928 2.595 9.466 1.00 0.00 N ATOM 206 CA THR A 14 2.389 1.436 10.156 1.00 0.00 C ATOM 207 C THR A 14 0.878 1.341 9.942 1.00 0.00 C ATOM 208 O THR A 14 0.102 1.912 10.707 1.00 0.00 O ATOM 209 CB THR A 14 2.789 1.534 11.629 1.00 0.00 C ATOM 210 OG1 THR A 14 4.203 1.356 11.618 1.00 0.00 O ATOM 211 CG2 THR A 14 2.272 0.355 12.456 1.00 0.00 C ATOM 0 H THR A 14 3.029 3.428 10.047 1.00 0.00 H new ATOM 0 HA THR A 14 2.800 0.510 9.753 1.00 0.00 H new ATOM 0 HB THR A 14 2.408 2.466 12.047 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.546 1.407 12.535 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.584 0.474 13.494 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.184 0.325 12.405 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.680 -0.575 12.059 1.00 0.00 H new ATOM 219 N LEU A 15 0.504 0.616 8.898 1.00 0.00 N ATOM 220 CA LEU A 15 -0.902 0.439 8.574 1.00 0.00 C ATOM 221 C LEU A 15 -1.385 -0.902 9.130 1.00 0.00 C ATOM 222 O LEU A 15 -0.581 -1.714 9.586 1.00 0.00 O ATOM 223 CB LEU A 15 -1.129 0.598 7.070 1.00 0.00 C ATOM 224 CG LEU A 15 -2.068 1.730 6.649 1.00 0.00 C ATOM 225 CD1 LEU A 15 -3.527 1.271 6.678 1.00 0.00 C ATOM 226 CD2 LEU A 15 -1.844 2.977 7.507 1.00 0.00 C ATOM 0 H LEU A 15 1.150 0.144 8.265 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.502 1.216 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.163 0.758 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.526 -0.340 6.681 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.835 2.001 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.174 2.094 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.659 0.434 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.790 0.957 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.524 3.766 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.033 2.738 8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.815 3.317 7.393 1.00 0.00 H new ATOM 237 N GLU A 16 -2.695 -1.092 9.076 1.00 0.00 N ATOM 238 CA GLU A 16 -3.294 -2.321 9.568 1.00 0.00 C ATOM 239 C GLU A 16 -4.216 -2.925 8.506 1.00 0.00 C ATOM 240 O GLU A 16 -5.233 -2.329 8.151 1.00 0.00 O ATOM 241 CB GLU A 16 -4.050 -2.076 10.875 1.00 0.00 C ATOM 242 CG GLU A 16 -5.073 -3.184 11.133 1.00 0.00 C ATOM 243 CD GLU A 16 -5.694 -3.045 12.525 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.967 -3.327 13.502 1.00 0.00 O ATOM 245 OE2 GLU A 16 -6.882 -2.659 12.580 1.00 0.00 O ATOM 0 H GLU A 16 -3.359 -0.415 8.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.496 -3.034 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.344 -2.028 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.556 -1.112 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.856 -3.144 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.591 -4.157 11.042 1.00 0.00 H new ATOM 250 N VAL A 17 -3.827 -4.097 8.030 1.00 0.00 N ATOM 251 CA VAL A 17 -4.606 -4.788 7.016 1.00 0.00 C ATOM 252 C VAL A 17 -4.478 -6.299 7.223 1.00 0.00 C ATOM 253 O VAL A 17 -3.685 -6.752 8.046 1.00 0.00 O ATOM 254 CB VAL A 17 -4.168 -4.337 5.621 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.583 -2.888 5.359 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.660 -4.518 5.435 1.00 0.00 C ATOM 0 H VAL A 17 -2.983 -4.587 8.327 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.662 -4.535 7.108 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.674 -4.968 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.260 -2.592 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.667 -2.802 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.118 -2.237 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.375 -4.190 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.128 -3.923 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.402 -5.570 5.559 1.00 0.00 H new ATOM 266 N GLU A 18 -5.272 -7.037 6.460 1.00 0.00 N ATOM 267 CA GLU A 18 -5.258 -8.488 6.549 1.00 0.00 C ATOM 268 C GLU A 18 -4.562 -9.088 5.326 1.00 0.00 C ATOM 269 O GLU A 18 -4.440 -8.431 4.292 1.00 0.00 O ATOM 270 CB GLU A 18 -6.676 -9.041 6.701 1.00 0.00 C ATOM 271 CG GLU A 18 -6.904 -9.586 8.113 1.00 0.00 C ATOM 272 CD GLU A 18 -8.325 -10.131 8.267 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.250 -9.294 8.343 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.455 -11.374 8.305 1.00 0.00 O ATOM 0 H GLU A 18 -5.929 -6.658 5.778 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.696 -8.773 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.401 -8.255 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.842 -9.833 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.183 -10.376 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.732 -8.796 8.844 1.00 0.00 H new ATOM 279 N PRO A 19 -4.113 -10.361 5.487 1.00 0.00 N ATOM 280 CA PRO A 19 -3.434 -11.057 4.408 1.00 0.00 C ATOM 281 C PRO A 19 -4.427 -11.507 3.334 1.00 0.00 C ATOM 282 O PRO A 19 -4.056 -11.676 2.174 1.00 0.00 O ATOM 283 CB PRO A 19 -2.717 -12.218 5.078 1.00 0.00 C ATOM 284 CG PRO A 19 -3.394 -12.403 6.426 1.00 0.00 C ATOM 285 CD PRO A 19 -4.240 -11.169 6.696 1.00 0.00 C ATOM 0 HA PRO A 19 -2.725 -10.421 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.792 -13.123 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.655 -12.003 5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.016 -13.298 6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.650 -12.535 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.280 -11.436 6.887 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.883 -10.628 7.573 1.00 0.00 H new ATOM 290 N SER A 20 -5.668 -11.687 3.759 1.00 0.00 N ATOM 291 CA SER A 20 -6.717 -12.113 2.849 1.00 0.00 C ATOM 292 C SER A 20 -7.420 -10.892 2.251 1.00 0.00 C ATOM 293 O SER A 20 -8.421 -11.029 1.550 1.00 0.00 O ATOM 294 CB SER A 20 -7.730 -13.013 3.559 1.00 0.00 C ATOM 295 OG SER A 20 -7.948 -12.612 4.909 1.00 0.00 O ATOM 0 H SER A 20 -5.971 -11.545 4.723 1.00 0.00 H new ATOM 0 HA SER A 20 -6.259 -12.690 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.676 -12.992 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.375 -14.043 3.540 1.00 0.00 H new ATOM 0 HG SER A 20 -8.602 -13.211 5.326 1.00 0.00 H new ATOM 300 N ASP A 21 -6.866 -9.726 2.550 1.00 0.00 N ATOM 301 CA ASP A 21 -7.427 -8.482 2.050 1.00 0.00 C ATOM 302 C ASP A 21 -6.849 -8.187 0.665 1.00 0.00 C ATOM 303 O ASP A 21 -5.711 -8.553 0.372 1.00 0.00 O ATOM 304 CB ASP A 21 -7.073 -7.311 2.969 1.00 0.00 C ATOM 305 CG ASP A 21 -7.828 -7.283 4.300 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.802 -8.057 4.417 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.413 -6.487 5.171 1.00 0.00 O ATOM 0 H ASP A 21 -6.035 -9.616 3.132 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.510 -8.593 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.003 -7.341 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.269 -6.380 2.438 1.00 0.00 H new ATOM 311 N THR A 22 -7.659 -7.528 -0.151 1.00 0.00 N ATOM 312 CA THR A 22 -7.243 -7.181 -1.499 1.00 0.00 C ATOM 313 C THR A 22 -6.341 -5.945 -1.476 1.00 0.00 C ATOM 314 O THR A 22 -6.304 -5.217 -0.485 1.00 0.00 O ATOM 315 CB THR A 22 -8.500 -6.999 -2.350 1.00 0.00 C ATOM 316 OG1 THR A 22 -9.532 -6.754 -1.398 1.00 0.00 O ATOM 317 CG2 THR A 22 -8.932 -8.293 -3.041 1.00 0.00 C ATOM 0 H THR A 22 -8.601 -7.225 0.096 1.00 0.00 H new ATOM 0 HA THR A 22 -6.644 -7.975 -1.945 1.00 0.00 H new ATOM 0 HB THR A 22 -8.321 -6.229 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.383 -6.623 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.829 -8.108 -3.632 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.132 -8.641 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.143 -9.054 -2.290 1.00 0.00 H new ATOM 325 N ILE A 23 -5.635 -5.747 -2.579 1.00 0.00 N ATOM 326 CA ILE A 23 -4.736 -4.611 -2.698 1.00 0.00 C ATOM 327 C ILE A 23 -5.541 -3.315 -2.595 1.00 0.00 C ATOM 328 O ILE A 23 -5.190 -2.421 -1.827 1.00 0.00 O ATOM 329 CB ILE A 23 -3.903 -4.718 -3.977 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.111 -6.027 -4.008 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.999 -3.497 -4.148 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.280 -6.195 -2.734 1.00 0.00 C ATOM 0 H ILE A 23 -5.667 -6.354 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.018 -4.606 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.585 -4.734 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.796 -6.868 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.455 -6.039 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.418 -3.600 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.611 -2.597 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.322 -3.423 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.727 -7.133 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.579 -5.365 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.941 -6.207 -1.867 1.00 0.00 H new ATOM 343 N GLU A 24 -6.606 -3.254 -3.381 1.00 0.00 N ATOM 344 CA GLU A 24 -7.465 -2.081 -3.389 1.00 0.00 C ATOM 345 C GLU A 24 -7.936 -1.760 -1.969 1.00 0.00 C ATOM 346 O GLU A 24 -8.068 -0.593 -1.605 1.00 0.00 O ATOM 347 CB GLU A 24 -8.654 -2.279 -4.330 1.00 0.00 C ATOM 348 CG GLU A 24 -8.480 -1.461 -5.613 1.00 0.00 C ATOM 349 CD GLU A 24 -9.829 -0.958 -6.130 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.521 -1.765 -6.787 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.137 0.221 -5.856 1.00 0.00 O ATOM 0 H GLU A 24 -6.894 -3.998 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.888 -1.234 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.754 -3.336 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.574 -1.982 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.821 -0.614 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.999 -2.073 -6.376 1.00 0.00 H new ATOM 356 N ASN A 25 -8.178 -2.816 -1.207 1.00 0.00 N ATOM 357 CA ASN A 25 -8.632 -2.661 0.164 1.00 0.00 C ATOM 358 C ASN A 25 -7.512 -2.042 1.002 1.00 0.00 C ATOM 359 O ASN A 25 -7.721 -1.037 1.680 1.00 0.00 O ATOM 360 CB ASN A 25 -8.991 -4.014 0.781 1.00 0.00 C ATOM 361 CG ASN A 25 -9.330 -3.867 2.267 1.00 0.00 C ATOM 362 OD1 ASN A 25 -8.270 -3.669 3.045 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -10.477 -3.928 2.678 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.068 -3.783 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.515 -2.022 0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.841 -4.445 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.157 -4.705 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.245 -4.082 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.668 -3.825 3.675 1.00 0.00 H new ATOM 369 N VAL A 26 -6.345 -2.667 0.926 1.00 0.00 N ATOM 370 CA VAL A 26 -5.191 -2.189 1.668 1.00 0.00 C ATOM 371 C VAL A 26 -4.829 -0.781 1.190 1.00 0.00 C ATOM 372 O VAL A 26 -4.481 0.082 1.996 1.00 0.00 O ATOM 373 CB VAL A 26 -4.035 -3.182 1.533 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.874 -2.800 2.454 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.505 -4.611 1.808 1.00 0.00 C ATOM 0 H VAL A 26 -6.175 -3.500 0.362 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.422 -2.121 2.731 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.675 -3.140 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.065 -3.522 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.513 -1.806 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.216 -2.800 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.664 -5.297 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.903 -4.674 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.283 -4.882 1.094 1.00 0.00 H new ATOM 385 N LYS A 27 -4.924 -0.592 -0.118 1.00 0.00 N ATOM 386 CA LYS A 27 -4.611 0.696 -0.713 1.00 0.00 C ATOM 387 C LYS A 27 -5.791 1.648 -0.507 1.00 0.00 C ATOM 388 O LYS A 27 -5.649 2.860 -0.659 1.00 0.00 O ATOM 389 CB LYS A 27 -4.206 0.525 -2.178 1.00 0.00 C ATOM 390 CG LYS A 27 -5.060 1.411 -3.089 1.00 0.00 C ATOM 391 CD LYS A 27 -4.684 1.208 -4.559 1.00 0.00 C ATOM 392 CE LYS A 27 -4.275 -0.241 -4.826 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.261 -0.517 -6.279 1.00 0.00 N ATOM 0 H LYS A 27 -5.213 -1.310 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.749 1.145 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.153 0.779 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.318 -0.519 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.115 1.178 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.924 2.458 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.529 1.474 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.864 1.876 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.288 -0.430 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.969 -0.918 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.981 -1.505 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.210 -0.357 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.581 0.117 -6.746 1.00 0.00 H new ATOM 403 N ALA A 28 -6.929 1.063 -0.164 1.00 0.00 N ATOM 404 CA ALA A 28 -8.133 1.844 0.064 1.00 0.00 C ATOM 405 C ALA A 28 -8.031 2.547 1.419 1.00 0.00 C ATOM 406 O ALA A 28 -8.478 3.683 1.568 1.00 0.00 O ATOM 407 CB ALA A 28 -9.358 0.933 -0.029 1.00 0.00 C ATOM 0 H ALA A 28 -7.043 0.057 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.241 2.614 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.261 1.519 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.401 0.481 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.286 0.149 0.725 1.00 0.00 H new ATOM 413 N LYS A 29 -7.439 1.842 2.372 1.00 0.00 N ATOM 414 CA LYS A 29 -7.273 2.384 3.710 1.00 0.00 C ATOM 415 C LYS A 29 -6.366 3.615 3.647 1.00 0.00 C ATOM 416 O LYS A 29 -6.731 4.685 4.132 1.00 0.00 O ATOM 417 CB LYS A 29 -6.774 1.302 4.669 1.00 0.00 C ATOM 418 CG LYS A 29 -7.866 0.906 5.665 1.00 0.00 C ATOM 419 CD LYS A 29 -7.353 -0.144 6.652 1.00 0.00 C ATOM 420 CE LYS A 29 -8.480 -1.081 7.091 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.658 -2.175 6.110 1.00 0.00 N ATOM 0 H LYS A 29 -7.068 0.900 2.244 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.232 2.713 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.459 0.426 4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.899 1.665 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.204 1.788 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.729 0.514 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.553 -0.723 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.925 0.350 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.252 -1.498 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.409 -0.520 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.427 -2.801 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.896 -1.773 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.776 -2.721 6.035 1.00 0.00 H new ATOM 431 N ILE A 30 -5.201 3.421 3.047 1.00 0.00 N ATOM 432 CA ILE A 30 -4.238 4.503 2.915 1.00 0.00 C ATOM 433 C ILE A 30 -4.871 5.648 2.119 1.00 0.00 C ATOM 434 O ILE A 30 -5.071 6.739 2.649 1.00 0.00 O ATOM 435 CB ILE A 30 -2.930 3.986 2.314 1.00 0.00 C ATOM 436 CG1 ILE A 30 -3.195 2.868 1.303 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.959 3.547 3.412 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.269 2.994 0.091 1.00 0.00 C ATOM 0 H ILE A 30 -4.901 2.532 2.647 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.975 4.902 3.895 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.456 4.804 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.046 1.899 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.234 2.907 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.037 3.184 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.735 4.394 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.412 2.750 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.478 2.188 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.437 3.954 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.231 2.931 0.418 1.00 0.00 H new ATOM 449 N GLN A 31 -5.166 5.358 0.861 1.00 0.00 N ATOM 450 CA GLN A 31 -5.771 6.349 -0.013 1.00 0.00 C ATOM 451 C GLN A 31 -6.823 7.158 0.750 1.00 0.00 C ATOM 452 O GLN A 31 -7.076 8.317 0.425 1.00 0.00 O ATOM 453 CB GLN A 31 -6.379 5.689 -1.252 1.00 0.00 C ATOM 454 CG GLN A 31 -5.288 5.242 -2.227 1.00 0.00 C ATOM 455 CD GLN A 31 -4.147 6.261 -2.277 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.132 7.176 -3.084 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.195 6.051 -1.372 1.00 0.00 N ATOM 0 H GLN A 31 -4.998 4.451 0.426 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.991 7.031 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.979 4.829 -0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.051 6.389 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.899 4.270 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.714 5.118 -3.223 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.270 5.265 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.390 6.676 -1.324 1.00 0.00 H new ATOM 464 N ASP A 32 -7.407 6.514 1.749 1.00 0.00 N ATOM 465 CA ASP A 32 -8.426 7.159 2.561 1.00 0.00 C ATOM 466 C ASP A 32 -7.759 7.858 3.748 1.00 0.00 C ATOM 467 O ASP A 32 -8.087 9.000 4.065 1.00 0.00 O ATOM 468 CB ASP A 32 -9.421 6.136 3.112 1.00 0.00 C ATOM 469 CG ASP A 32 -10.748 6.052 2.356 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.024 6.998 1.587 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.456 5.044 2.564 1.00 0.00 O ATOM 0 H ASP A 32 -7.195 5.553 2.015 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.956 7.874 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.951 5.153 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.629 6.379 4.154 1.00 0.00 H new ATOM 475 N LYS A 33 -6.836 7.142 4.373 1.00 0.00 N ATOM 476 CA LYS A 33 -6.120 7.678 5.517 1.00 0.00 C ATOM 477 C LYS A 33 -5.727 9.129 5.233 1.00 0.00 C ATOM 478 O LYS A 33 -6.106 10.035 5.975 1.00 0.00 O ATOM 479 CB LYS A 33 -4.935 6.780 5.878 1.00 0.00 C ATOM 480 CG LYS A 33 -5.405 5.521 6.609 1.00 0.00 C ATOM 481 CD LYS A 33 -5.480 5.759 8.119 1.00 0.00 C ATOM 482 CE LYS A 33 -5.725 4.448 8.870 1.00 0.00 C ATOM 483 NZ LYS A 33 -6.375 4.711 10.172 1.00 0.00 N ATOM 0 H LYS A 33 -6.568 6.194 4.108 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.763 7.687 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.397 6.500 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.235 7.330 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.385 5.223 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.721 4.698 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.552 6.213 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.281 6.464 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.353 3.790 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.779 3.930 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.534 3.811 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.762 5.321 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.287 5.186 10.015 1.00 0.00 H new ATOM 493 N GLU A 34 -4.972 9.305 4.159 1.00 0.00 N ATOM 494 CA GLU A 34 -4.524 10.631 3.768 1.00 0.00 C ATOM 495 C GLU A 34 -5.626 11.357 2.993 1.00 0.00 C ATOM 496 O GLU A 34 -5.867 12.543 3.213 1.00 0.00 O ATOM 497 CB GLU A 34 -3.235 10.554 2.947 1.00 0.00 C ATOM 498 CG GLU A 34 -3.229 9.314 2.051 1.00 0.00 C ATOM 499 CD GLU A 34 -2.561 8.131 2.757 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.937 7.881 3.923 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.690 7.506 2.115 1.00 0.00 O ATOM 0 H GLU A 34 -4.659 8.551 3.547 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.307 11.201 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.136 11.450 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.375 10.528 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.252 9.051 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.701 9.534 1.123 1.00 0.00 H new ATOM 506 N GLY A 35 -6.266 10.614 2.101 1.00 0.00 N ATOM 507 CA GLY A 35 -7.335 11.171 1.292 1.00 0.00 C ATOM 508 C GLY A 35 -6.860 11.440 -0.137 1.00 0.00 C ATOM 509 O GLY A 35 -6.972 12.560 -0.633 1.00 0.00 O ATOM 0 H GLY A 35 -6.064 9.630 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.179 10.482 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.690 12.098 1.741 1.00 0.00 H new ATOM 513 N ILE A 36 -6.338 10.393 -0.759 1.00 0.00 N ATOM 514 CA ILE A 36 -5.845 10.500 -2.122 1.00 0.00 C ATOM 515 C ILE A 36 -6.201 9.226 -2.891 1.00 0.00 C ATOM 516 O ILE A 36 -6.143 8.128 -2.340 1.00 0.00 O ATOM 517 CB ILE A 36 -4.350 10.824 -2.126 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.696 10.379 -3.436 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.654 10.221 -0.904 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.181 10.241 -3.273 1.00 0.00 C ATOM 0 H ILE A 36 -6.246 9.466 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.329 11.329 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.235 11.906 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.120 9.426 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.917 11.102 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.592 10.466 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.097 10.628 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.776 9.138 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.741 9.924 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.758 11.202 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.964 9.499 -2.505 1.00 0.00 H new ATOM 531 N PRO A 37 -6.569 9.420 -4.185 1.00 0.00 N ATOM 532 CA PRO A 37 -6.934 8.300 -5.036 1.00 0.00 C ATOM 533 C PRO A 37 -5.695 7.515 -5.471 1.00 0.00 C ATOM 534 O PRO A 37 -4.659 8.104 -5.776 1.00 0.00 O ATOM 535 CB PRO A 37 -7.683 8.921 -6.204 1.00 0.00 C ATOM 536 CG PRO A 37 -7.310 10.394 -6.204 1.00 0.00 C ATOM 537 CD PRO A 37 -6.648 10.707 -4.871 1.00 0.00 C ATOM 0 HA PRO A 37 -7.558 7.568 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.402 8.447 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.759 8.791 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.632 10.616 -7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.197 11.012 -6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.658 11.142 -5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.233 11.426 -4.298 1.00 0.00 H new ATOM 542 N PRO A 38 -5.845 6.164 -5.485 1.00 0.00 N ATOM 543 CA PRO A 38 -4.751 5.292 -5.877 1.00 0.00 C ATOM 544 C PRO A 38 -4.545 5.320 -7.392 1.00 0.00 C ATOM 545 O PRO A 38 -3.455 5.019 -7.879 1.00 0.00 O ATOM 546 CB PRO A 38 -5.137 3.917 -5.354 1.00 0.00 C ATOM 547 CG PRO A 38 -6.634 3.973 -5.100 1.00 0.00 C ATOM 548 CD PRO A 38 -7.058 5.433 -5.129 1.00 0.00 C ATOM 0 HA PRO A 38 -3.793 5.606 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.893 3.141 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.594 3.681 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.171 3.404 -5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.875 3.525 -4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.850 5.601 -5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.443 5.753 -4.161 1.00 0.00 H new ATOM 553 N ASP A 39 -5.607 5.683 -8.096 1.00 0.00 N ATOM 554 CA ASP A 39 -5.555 5.753 -9.547 1.00 0.00 C ATOM 555 C ASP A 39 -4.225 6.377 -9.975 1.00 0.00 C ATOM 556 O ASP A 39 -3.721 6.088 -11.060 1.00 0.00 O ATOM 557 CB ASP A 39 -6.686 6.626 -10.095 1.00 0.00 C ATOM 558 CG ASP A 39 -7.846 5.857 -10.730 1.00 0.00 C ATOM 559 OD1 ASP A 39 -7.582 5.157 -11.733 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.970 5.984 -10.199 1.00 0.00 O ATOM 0 H ASP A 39 -6.509 5.932 -7.689 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.658 4.741 -9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.077 7.239 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.271 7.307 -10.838 1.00 0.00 H new ATOM 564 N GLN A 40 -3.696 7.221 -9.103 1.00 0.00 N ATOM 565 CA GLN A 40 -2.434 7.889 -9.378 1.00 0.00 C ATOM 566 C GLN A 40 -1.284 7.154 -8.687 1.00 0.00 C ATOM 567 O GLN A 40 -0.183 7.067 -9.229 1.00 0.00 O ATOM 568 CB GLN A 40 -2.485 9.356 -8.948 1.00 0.00 C ATOM 569 CG GLN A 40 -3.423 10.159 -9.851 1.00 0.00 C ATOM 570 CD GLN A 40 -4.825 9.548 -9.869 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.313 9.277 -8.661 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.424 9.335 -10.910 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.117 7.458 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.260 7.867 -10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.823 9.424 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.483 9.785 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.476 11.190 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.022 10.187 -10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.991 9.567 -11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.358 8.925 -10.886 1.00 0.00 H new ATOM 579 N GLN A 41 -1.577 6.644 -7.500 1.00 0.00 N ATOM 580 CA GLN A 41 -0.582 5.920 -6.730 1.00 0.00 C ATOM 581 C GLN A 41 -0.545 4.450 -7.156 1.00 0.00 C ATOM 582 O GLN A 41 -1.291 4.040 -8.044 1.00 0.00 O ATOM 583 CB GLN A 41 -0.849 6.048 -5.229 1.00 0.00 C ATOM 584 CG GLN A 41 -0.807 7.513 -4.788 1.00 0.00 C ATOM 585 CD GLN A 41 0.633 8.025 -4.721 1.00 0.00 C ATOM 586 OE1 GLN A 41 1.470 7.710 -5.551 1.00 0.00 O ATOM 587 NE2 GLN A 41 0.874 8.829 -3.690 1.00 0.00 N ATOM 0 H GLN A 41 -2.491 6.718 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 41 0.394 6.361 -6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.823 5.621 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.106 5.476 -4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.381 8.123 -5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.279 7.616 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.127 9.052 -3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.806 9.223 -3.557 1.00 0.00 H new ATOM 594 N ARG A 42 0.328 3.699 -6.503 1.00 0.00 N ATOM 595 CA ARG A 42 0.471 2.285 -6.802 1.00 0.00 C ATOM 596 C ARG A 42 1.637 1.688 -6.010 1.00 0.00 C ATOM 597 O ARG A 42 2.781 2.113 -6.168 1.00 0.00 O ATOM 598 CB ARG A 42 0.712 2.060 -8.297 1.00 0.00 C ATOM 599 CG ARG A 42 -0.400 1.206 -8.910 1.00 0.00 C ATOM 600 CD ARG A 42 -0.217 1.070 -10.422 1.00 0.00 C ATOM 601 NE ARG A 42 -1.536 0.963 -11.085 1.00 0.00 N ATOM 602 CZ ARG A 42 -2.372 1.993 -11.265 1.00 0.00 C ATOM 603 NH1 ARG A 42 -2.032 3.216 -10.833 1.00 0.00 N ATOM 604 NH2 ARG A 42 -3.550 1.803 -11.876 1.00 0.00 N ATOM 0 H ARG A 42 0.944 4.043 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.457 1.791 -6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.762 3.021 -8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.675 1.570 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.400 0.218 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.369 1.657 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.325 1.932 -10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.384 0.189 -10.646 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.826 0.047 -11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.136 3.362 -10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.669 4.001 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.810 0.873 -12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.186 2.588 -12.013 1.00 0.00 H new ATOM 615 N LEU A 43 1.306 0.714 -5.175 1.00 0.00 N ATOM 616 CA LEU A 43 2.311 0.056 -4.358 1.00 0.00 C ATOM 617 C LEU A 43 2.917 -1.109 -5.142 1.00 0.00 C ATOM 618 O LEU A 43 2.335 -1.573 -6.122 1.00 0.00 O ATOM 619 CB LEU A 43 1.718 -0.354 -3.009 1.00 0.00 C ATOM 620 CG LEU A 43 0.218 -0.652 -2.997 1.00 0.00 C ATOM 621 CD1 LEU A 43 -0.598 0.642 -3.011 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.166 -1.583 -4.148 1.00 0.00 C ATOM 0 H LEU A 43 0.356 0.365 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 43 3.125 0.743 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.247 -1.240 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.916 0.442 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.019 -1.173 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.661 0.402 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.353 1.236 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.362 1.211 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.238 -1.778 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.089 -1.112 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.377 -2.523 -4.052 1.00 0.00 H new ATOM 633 N ILE A 44 4.080 -1.548 -4.684 1.00 0.00 N ATOM 634 CA ILE A 44 4.771 -2.651 -5.330 1.00 0.00 C ATOM 635 C ILE A 44 5.262 -3.634 -4.266 1.00 0.00 C ATOM 636 O ILE A 44 5.393 -3.275 -3.097 1.00 0.00 O ATOM 637 CB ILE A 44 5.883 -2.125 -6.241 1.00 0.00 C ATOM 638 CG1 ILE A 44 5.342 -1.083 -7.221 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.592 -3.274 -6.960 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.912 -1.737 -8.536 1.00 0.00 C ATOM 0 H ILE A 44 4.561 -1.160 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 44 4.089 -3.199 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 44 6.627 -1.626 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.494 -0.565 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.107 -0.332 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.377 -2.873 -7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.032 -3.947 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.872 -3.822 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.531 -0.974 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.768 -2.234 -8.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.130 -2.470 -8.339 1.00 0.00 H new ATOM 651 N PHE A 45 5.520 -4.856 -4.709 1.00 0.00 N ATOM 652 CA PHE A 45 5.993 -5.894 -3.810 1.00 0.00 C ATOM 653 C PHE A 45 6.629 -7.047 -4.589 1.00 0.00 C ATOM 654 O PHE A 45 5.998 -7.628 -5.470 1.00 0.00 O ATOM 655 CB PHE A 45 4.772 -6.420 -3.051 1.00 0.00 C ATOM 656 CG PHE A 45 5.117 -7.223 -1.795 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.724 -6.611 -0.743 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.818 -8.548 -1.732 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.044 -7.357 0.422 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.139 -9.293 -0.568 1.00 0.00 C ATOM 661 CZ PHE A 45 5.745 -8.682 0.485 1.00 0.00 C ATOM 0 H PHE A 45 5.410 -5.150 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 45 6.747 -5.486 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.142 -5.577 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.184 -7.047 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.962 -5.559 -0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.336 -9.033 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.525 -6.872 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.902 -10.346 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.989 -9.249 1.371 1.00 0.00 H new ATOM 670 N ALA A 46 7.871 -7.344 -4.236 1.00 0.00 N ATOM 671 CA ALA A 46 8.599 -8.416 -4.890 1.00 0.00 C ATOM 672 C ALA A 46 8.784 -8.073 -6.370 1.00 0.00 C ATOM 673 O ALA A 46 8.769 -8.958 -7.223 1.00 0.00 O ATOM 674 CB ALA A 46 7.855 -9.738 -4.687 1.00 0.00 C ATOM 0 H ALA A 46 8.391 -6.860 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 46 9.590 -8.529 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.402 -10.543 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.776 -9.951 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.856 -9.663 -5.117 1.00 0.00 H new ATOM 680 N GLY A 47 8.954 -6.784 -6.628 1.00 0.00 N ATOM 681 CA GLY A 47 9.142 -6.313 -7.990 1.00 0.00 C ATOM 682 C GLY A 47 7.970 -6.730 -8.880 1.00 0.00 C ATOM 683 O GLY A 47 8.128 -6.880 -10.091 1.00 0.00 O ATOM 0 H GLY A 47 8.965 -6.052 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.238 -5.227 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.071 -6.716 -8.393 1.00 0.00 H new ATOM 687 N LYS A 48 6.820 -6.905 -8.247 1.00 0.00 N ATOM 688 CA LYS A 48 5.622 -7.302 -8.967 1.00 0.00 C ATOM 689 C LYS A 48 4.583 -6.182 -8.875 1.00 0.00 C ATOM 690 O LYS A 48 4.556 -5.435 -7.899 1.00 0.00 O ATOM 691 CB LYS A 48 5.116 -8.654 -8.461 1.00 0.00 C ATOM 692 CG LYS A 48 4.098 -8.472 -7.333 1.00 0.00 C ATOM 693 CD LYS A 48 4.219 -9.593 -6.299 1.00 0.00 C ATOM 694 CE LYS A 48 3.415 -10.823 -6.727 1.00 0.00 C ATOM 695 NZ LYS A 48 3.951 -12.042 -6.082 1.00 0.00 N ATOM 0 H LYS A 48 6.692 -6.779 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 48 5.843 -7.447 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.659 -9.206 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.956 -9.250 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.254 -7.508 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.090 -8.461 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.267 -9.865 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.863 -9.240 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.367 -10.692 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.453 -10.931 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.394 -12.867 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.944 -12.174 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.892 -11.943 -5.048 1.00 0.00 H new ATOM 705 N GLN A 49 3.752 -6.104 -9.904 1.00 0.00 N ATOM 706 CA GLN A 49 2.714 -5.089 -9.952 1.00 0.00 C ATOM 707 C GLN A 49 1.543 -5.485 -9.050 1.00 0.00 C ATOM 708 O GLN A 49 0.776 -6.388 -9.382 1.00 0.00 O ATOM 709 CB GLN A 49 2.243 -4.852 -11.388 1.00 0.00 C ATOM 710 CG GLN A 49 0.857 -4.205 -11.412 1.00 0.00 C ATOM 711 CD GLN A 49 0.353 -4.041 -12.848 1.00 0.00 C ATOM 712 OE1 GLN A 49 1.110 -4.054 -13.804 1.00 0.00 O ATOM 713 NE2 GLN A 49 -0.965 -3.887 -12.943 1.00 0.00 N ATOM 0 H GLN A 49 3.777 -6.727 -10.711 1.00 0.00 H new ATOM 0 HA GLN A 49 3.132 -4.153 -9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.956 -4.211 -11.907 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.215 -5.799 -11.926 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.156 -4.817 -10.844 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.898 -3.231 -10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.540 -3.886 -12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.400 -3.770 -13.858 1.00 0.00 H new ATOM 720 N LEU A 50 1.442 -4.790 -7.926 1.00 0.00 N ATOM 721 CA LEU A 50 0.378 -5.057 -6.974 1.00 0.00 C ATOM 722 C LEU A 50 -0.962 -4.633 -7.579 1.00 0.00 C ATOM 723 O LEU A 50 -1.200 -3.446 -7.797 1.00 0.00 O ATOM 724 CB LEU A 50 0.682 -4.393 -5.630 1.00 0.00 C ATOM 725 CG LEU A 50 0.973 -5.340 -4.464 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.203 -6.202 -4.752 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.110 -4.567 -3.150 1.00 0.00 C ATOM 0 H LEU A 50 2.080 -4.042 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 50 0.312 -6.125 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.540 -3.733 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.166 -3.764 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 50 0.125 -6.016 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.388 -6.866 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.029 -6.796 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.070 -5.559 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.317 -5.264 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.929 -3.852 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.182 -4.034 -2.943 1.00 0.00 H new ATOM 738 N GLU A 51 -1.800 -5.626 -7.835 1.00 0.00 N ATOM 739 CA GLU A 51 -3.110 -5.372 -8.412 1.00 0.00 C ATOM 740 C GLU A 51 -4.205 -5.966 -7.525 1.00 0.00 C ATOM 741 O GLU A 51 -4.032 -7.043 -6.956 1.00 0.00 O ATOM 742 CB GLU A 51 -3.198 -5.923 -9.836 1.00 0.00 C ATOM 743 CG GLU A 51 -4.498 -5.484 -10.514 1.00 0.00 C ATOM 744 CD GLU A 51 -4.260 -4.279 -11.426 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.509 -3.378 -10.994 1.00 0.00 O ATOM 746 OE2 GLU A 51 -4.835 -4.286 -12.536 1.00 0.00 O ATOM 0 H GLU A 51 -1.598 -6.609 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.259 -4.294 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.345 -5.575 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.145 -7.011 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.906 -6.310 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.240 -5.231 -9.757 1.00 0.00 H new ATOM 751 N ASP A 52 -5.308 -5.238 -7.434 1.00 0.00 N ATOM 752 CA ASP A 52 -6.432 -5.680 -6.626 1.00 0.00 C ATOM 753 C ASP A 52 -6.842 -7.090 -7.057 1.00 0.00 C ATOM 754 O ASP A 52 -7.429 -7.835 -6.275 1.00 0.00 O ATOM 755 CB ASP A 52 -7.640 -4.759 -6.812 1.00 0.00 C ATOM 756 CG ASP A 52 -7.724 -4.070 -8.175 1.00 0.00 C ATOM 757 OD1 ASP A 52 -7.083 -3.006 -8.313 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.428 -4.622 -9.048 1.00 0.00 O ATOM 0 H ASP A 52 -5.447 -4.345 -7.906 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.123 -5.663 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.549 -5.341 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.618 -3.994 -6.036 1.00 0.00 H new ATOM 762 N GLY A 53 -6.515 -7.412 -8.300 1.00 0.00 N ATOM 763 CA GLY A 53 -6.840 -8.720 -8.843 1.00 0.00 C ATOM 764 C GLY A 53 -6.567 -9.824 -7.820 1.00 0.00 C ATOM 765 O GLY A 53 -7.189 -10.885 -7.865 1.00 0.00 O ATOM 0 H GLY A 53 -6.029 -6.790 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.889 -8.744 -9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.252 -8.900 -9.743 1.00 0.00 H new ATOM 769 N ARG A 54 -5.636 -9.537 -6.922 1.00 0.00 N ATOM 770 CA ARG A 54 -5.272 -10.492 -5.889 1.00 0.00 C ATOM 771 C ARG A 54 -5.216 -9.802 -4.525 1.00 0.00 C ATOM 772 O ARG A 54 -5.561 -8.628 -4.404 1.00 0.00 O ATOM 773 CB ARG A 54 -3.916 -11.133 -6.186 1.00 0.00 C ATOM 774 CG ARG A 54 -3.959 -11.930 -7.492 1.00 0.00 C ATOM 775 CD ARG A 54 -4.080 -13.430 -7.215 1.00 0.00 C ATOM 776 NE ARG A 54 -5.304 -13.965 -7.851 1.00 0.00 N ATOM 777 CZ ARG A 54 -5.380 -14.342 -9.135 1.00 0.00 C ATOM 778 NH1 ARG A 54 -4.304 -14.243 -9.927 1.00 0.00 N ATOM 779 NH2 ARG A 54 -6.533 -14.816 -9.627 1.00 0.00 N ATOM 0 H ARG A 54 -5.123 -8.656 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.034 -11.272 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.151 -10.359 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.633 -11.790 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.803 -11.599 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.056 -11.735 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.203 -13.951 -7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.111 -13.608 -6.140 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.142 -14.052 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.427 -13.881 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.362 -14.530 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.353 -14.890 -9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.591 -15.103 -10.604 1.00 0.00 H new ATOM 790 N THR A 55 -4.777 -10.562 -3.531 1.00 0.00 N ATOM 791 CA THR A 55 -4.670 -10.038 -2.181 1.00 0.00 C ATOM 792 C THR A 55 -3.204 -9.977 -1.746 1.00 0.00 C ATOM 793 O THR A 55 -2.303 -10.080 -2.576 1.00 0.00 O ATOM 794 CB THR A 55 -5.539 -10.905 -1.267 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.126 -12.237 -1.559 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.016 -10.878 -1.666 1.00 0.00 C ATOM 0 H THR A 55 -4.492 -11.536 -3.635 1.00 0.00 H new ATOM 0 HA THR A 55 -5.036 -9.013 -2.125 1.00 0.00 H new ATOM 0 HB THR A 55 -5.435 -10.565 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.599 -12.559 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.588 -11.509 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.389 -9.855 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.125 -11.251 -2.685 1.00 0.00 H new ATOM 804 N LEU A 56 -3.012 -9.810 -0.446 1.00 0.00 N ATOM 805 CA LEU A 56 -1.672 -9.735 0.109 1.00 0.00 C ATOM 806 C LEU A 56 -1.090 -11.146 0.220 1.00 0.00 C ATOM 807 O LEU A 56 0.081 -11.364 -0.086 1.00 0.00 O ATOM 808 CB LEU A 56 -1.682 -8.968 1.433 1.00 0.00 C ATOM 809 CG LEU A 56 -2.635 -7.774 1.509 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.516 -7.062 2.858 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.412 -6.818 0.335 1.00 0.00 C ATOM 0 H LEU A 56 -3.763 -9.724 0.239 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.017 -9.171 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.939 -9.664 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.671 -8.614 1.632 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.656 -8.147 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.204 -6.217 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.763 -7.758 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.495 -6.703 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.102 -5.978 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.387 -6.448 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.588 -7.346 -0.602 1.00 0.00 H new ATOM 822 N SER A 57 -1.935 -12.067 0.660 1.00 0.00 N ATOM 823 CA SER A 57 -1.519 -13.450 0.814 1.00 0.00 C ATOM 824 C SER A 57 -1.185 -14.053 -0.551 1.00 0.00 C ATOM 825 O SER A 57 -0.349 -14.949 -0.650 1.00 0.00 O ATOM 826 CB SER A 57 -2.605 -14.277 1.508 1.00 0.00 C ATOM 827 OG SER A 57 -2.071 -15.439 2.137 1.00 0.00 O ATOM 0 H SER A 57 -2.905 -11.882 0.915 1.00 0.00 H new ATOM 0 HA SER A 57 -0.627 -13.470 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.109 -13.661 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.357 -14.574 0.777 1.00 0.00 H new ATOM 0 HG SER A 57 -2.795 -15.939 2.569 1.00 0.00 H new ATOM 832 N ASP A 58 -1.855 -13.535 -1.570 1.00 0.00 N ATOM 833 CA ASP A 58 -1.638 -14.011 -2.926 1.00 0.00 C ATOM 834 C ASP A 58 -0.251 -13.574 -3.401 1.00 0.00 C ATOM 835 O ASP A 58 0.350 -14.223 -4.255 1.00 0.00 O ATOM 836 CB ASP A 58 -2.674 -13.424 -3.888 1.00 0.00 C ATOM 837 CG ASP A 58 -4.071 -14.039 -3.789 1.00 0.00 C ATOM 838 OD1 ASP A 58 -4.138 -15.285 -3.716 1.00 0.00 O ATOM 839 OD2 ASP A 58 -5.040 -13.249 -3.789 1.00 0.00 O ATOM 0 H ASP A 58 -2.548 -12.791 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.726 -15.097 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.752 -12.352 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.311 -13.547 -4.908 1.00 0.00 H new ATOM 843 N TYR A 59 0.217 -12.476 -2.825 1.00 0.00 N ATOM 844 CA TYR A 59 1.523 -11.945 -3.178 1.00 0.00 C ATOM 845 C TYR A 59 2.563 -12.293 -2.111 1.00 0.00 C ATOM 846 O TYR A 59 3.714 -11.866 -2.198 1.00 0.00 O ATOM 847 CB TYR A 59 1.358 -10.425 -3.235 1.00 0.00 C ATOM 848 CG TYR A 59 0.465 -9.939 -4.379 1.00 0.00 C ATOM 849 CD1 TYR A 59 -0.009 -10.837 -5.313 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.135 -8.603 -4.475 1.00 0.00 C ATOM 851 CE1 TYR A 59 -0.850 -10.378 -6.389 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.706 -8.144 -5.551 1.00 0.00 C ATOM 853 CZ TYR A 59 -1.156 -9.055 -6.455 1.00 0.00 C ATOM 854 OH TYR A 59 -1.950 -8.623 -7.472 1.00 0.00 O ATOM 0 H TYR A 59 -0.284 -11.940 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 59 1.865 -12.365 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.940 -10.079 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.342 -9.966 -3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.250 -11.883 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.507 -7.901 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.229 -11.070 -7.127 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.973 -7.101 -5.638 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.798 -8.294 -7.108 1.00 0.00 H new ATOM 863 N ASN A 60 2.122 -13.066 -1.129 1.00 0.00 N ATOM 864 CA ASN A 60 3.001 -13.476 -0.048 1.00 0.00 C ATOM 865 C ASN A 60 3.310 -12.268 0.838 1.00 0.00 C ATOM 866 O ASN A 60 4.345 -12.229 1.503 1.00 0.00 O ATOM 867 CB ASN A 60 4.325 -14.017 -0.588 1.00 0.00 C ATOM 868 CG ASN A 60 4.088 -14.986 -1.750 1.00 0.00 C ATOM 869 OD1 ASN A 60 3.667 -14.608 -2.831 1.00 0.00 O ATOM 870 ND2 ASN A 60 4.382 -16.252 -1.467 1.00 0.00 N ATOM 0 H ASN A 60 1.167 -13.419 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 60 2.496 -14.259 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.951 -13.190 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.867 -14.525 0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.259 -16.975 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.731 -16.500 -0.541 1.00 0.00 H new ATOM 876 N ILE A 61 2.395 -11.310 0.819 1.00 0.00 N ATOM 877 CA ILE A 61 2.558 -10.104 1.613 1.00 0.00 C ATOM 878 C ILE A 61 2.167 -10.396 3.063 1.00 0.00 C ATOM 879 O ILE A 61 1.016 -10.206 3.451 1.00 0.00 O ATOM 880 CB ILE A 61 1.779 -8.943 0.989 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.464 -8.447 -0.286 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.569 -7.817 2.003 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.521 -7.566 -1.108 1.00 0.00 C ATOM 0 H ILE A 61 1.538 -11.344 0.266 1.00 0.00 H new ATOM 0 HA ILE A 61 3.602 -9.791 1.620 1.00 0.00 H new ATOM 0 HB ILE A 61 0.792 -9.307 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.360 -7.883 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.786 -9.299 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.013 -7.005 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.007 -8.196 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.537 -7.447 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.033 -7.227 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.637 -8.140 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.220 -6.703 -0.515 1.00 0.00 H new ATOM 894 N GLN A 62 3.151 -10.852 3.826 1.00 0.00 N ATOM 895 CA GLN A 62 2.925 -11.173 5.225 1.00 0.00 C ATOM 896 C GLN A 62 2.941 -9.898 6.071 1.00 0.00 C ATOM 897 O GLN A 62 2.926 -8.792 5.532 1.00 0.00 O ATOM 898 CB GLN A 62 3.960 -12.179 5.731 1.00 0.00 C ATOM 899 CG GLN A 62 5.359 -11.560 5.757 1.00 0.00 C ATOM 900 CD GLN A 62 6.414 -12.608 6.118 1.00 0.00 C ATOM 901 OE1 GLN A 62 6.997 -12.597 7.190 1.00 0.00 O ATOM 902 NE2 GLN A 62 6.628 -13.512 5.165 1.00 0.00 N ATOM 0 H GLN A 62 4.106 -11.006 3.502 1.00 0.00 H new ATOM 0 HA GLN A 62 1.942 -11.635 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.688 -12.514 6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.960 -13.060 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.588 -11.128 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.387 -10.746 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.106 -13.464 4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.314 -14.253 5.309 1.00 0.00 H new ATOM 909 N LYS A 63 2.972 -10.095 7.380 1.00 0.00 N ATOM 910 CA LYS A 63 2.990 -8.974 8.306 1.00 0.00 C ATOM 911 C LYS A 63 4.325 -8.238 8.180 1.00 0.00 C ATOM 912 O LYS A 63 5.291 -8.781 7.647 1.00 0.00 O ATOM 913 CB LYS A 63 2.680 -9.449 9.727 1.00 0.00 C ATOM 914 CG LYS A 63 1.679 -8.515 10.410 1.00 0.00 C ATOM 915 CD LYS A 63 1.486 -8.897 11.878 1.00 0.00 C ATOM 916 CE LYS A 63 1.387 -7.651 12.761 1.00 0.00 C ATOM 917 NZ LYS A 63 1.831 -7.955 14.139 1.00 0.00 N ATOM 0 H LYS A 63 2.985 -11.014 7.822 1.00 0.00 H new ATOM 0 HA LYS A 63 2.206 -8.259 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.276 -10.461 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.600 -9.491 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.032 -7.486 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.722 -8.559 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.582 -9.496 11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.320 -9.516 12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.000 -6.852 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.359 -7.289 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.193 -7.089 14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.028 -8.319 14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.584 -8.671 14.111 1.00 0.00 H new ATOM 927 N GLU A 64 4.337 -7.011 8.681 1.00 0.00 N ATOM 928 CA GLU A 64 5.537 -6.193 8.633 1.00 0.00 C ATOM 929 C GLU A 64 6.177 -6.272 7.245 1.00 0.00 C ATOM 930 O GLU A 64 7.317 -6.712 7.107 1.00 0.00 O ATOM 931 CB GLU A 64 6.530 -6.612 9.718 1.00 0.00 C ATOM 932 CG GLU A 64 5.814 -6.873 11.045 1.00 0.00 C ATOM 933 CD GLU A 64 6.088 -8.294 11.545 1.00 0.00 C ATOM 934 OE1 GLU A 64 7.276 -8.679 11.537 1.00 0.00 O ATOM 935 OE2 GLU A 64 5.101 -8.963 11.923 1.00 0.00 O ATOM 0 H GLU A 64 3.534 -6.563 9.123 1.00 0.00 H new ATOM 0 HA GLU A 64 5.255 -5.158 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.060 -7.511 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.279 -5.831 9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.147 -6.151 11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.741 -6.729 10.918 1.00 0.00 H new ATOM 940 N SER A 65 5.414 -5.839 6.252 1.00 0.00 N ATOM 941 CA SER A 65 5.892 -5.855 4.879 1.00 0.00 C ATOM 942 C SER A 65 6.214 -4.431 4.421 1.00 0.00 C ATOM 943 O SER A 65 5.831 -3.463 5.075 1.00 0.00 O ATOM 944 CB SER A 65 4.862 -6.493 3.945 1.00 0.00 C ATOM 945 OG SER A 65 5.347 -7.699 3.359 1.00 0.00 O ATOM 0 H SER A 65 4.469 -5.475 6.370 1.00 0.00 H new ATOM 0 HA SER A 65 6.800 -6.457 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.948 -6.702 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.601 -5.787 3.157 1.00 0.00 H new ATOM 0 HG SER A 65 5.256 -7.649 2.385 1.00 0.00 H new ATOM 950 N THR A 66 6.916 -4.349 3.300 1.00 0.00 N ATOM 951 CA THR A 66 7.293 -3.060 2.746 1.00 0.00 C ATOM 952 C THR A 66 7.008 -3.020 1.244 1.00 0.00 C ATOM 953 O THR A 66 7.645 -3.729 0.468 1.00 0.00 O ATOM 954 CB THR A 66 8.763 -2.810 3.092 1.00 0.00 C ATOM 955 OG1 THR A 66 8.827 -3.008 4.501 1.00 0.00 O ATOM 956 CG2 THR A 66 9.168 -1.347 2.904 1.00 0.00 C ATOM 0 H THR A 66 7.233 -5.154 2.761 1.00 0.00 H new ATOM 0 HA THR A 66 6.699 -2.255 3.179 1.00 0.00 H new ATOM 0 HB THR A 66 9.394 -3.445 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.746 -2.867 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.220 -1.224 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.014 -1.058 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.559 -0.715 3.550 1.00 0.00 H new ATOM 964 N LEU A 67 6.047 -2.183 0.879 1.00 0.00 N ATOM 965 CA LEU A 67 5.669 -2.042 -0.517 1.00 0.00 C ATOM 966 C LEU A 67 6.445 -0.877 -1.135 1.00 0.00 C ATOM 967 O LEU A 67 6.722 0.115 -0.464 1.00 0.00 O ATOM 968 CB LEU A 67 4.151 -1.908 -0.649 1.00 0.00 C ATOM 969 CG LEU A 67 3.324 -3.072 -0.100 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.975 -4.414 -0.440 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.088 -2.914 1.404 1.00 0.00 C ATOM 0 H LEU A 67 5.519 -1.596 1.525 1.00 0.00 H new ATOM 0 HA LEU A 67 5.937 -2.938 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.841 -0.996 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.908 -1.781 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 67 2.347 -3.056 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.368 -5.225 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.050 -4.518 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.972 -4.456 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.498 -3.754 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.047 -2.891 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.551 -1.984 1.592 1.00 0.00 H new ATOM 982 N HIS A 68 6.775 -1.038 -2.409 1.00 0.00 N ATOM 983 CA HIS A 68 7.513 -0.012 -3.126 1.00 0.00 C ATOM 984 C HIS A 68 6.546 0.827 -3.963 1.00 0.00 C ATOM 985 O HIS A 68 6.007 0.351 -4.959 1.00 0.00 O ATOM 986 CB HIS A 68 8.634 -0.633 -3.961 1.00 0.00 C ATOM 987 CG HIS A 68 9.790 -1.160 -3.144 1.00 0.00 C ATOM 988 ND1 HIS A 68 11.033 -0.553 -3.125 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.876 -2.242 -2.318 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.825 -1.247 -2.321 1.00 0.00 C ATOM 991 NE2 HIS A 68 11.107 -2.294 -1.822 1.00 0.00 N ATOM 0 H HIS A 68 6.545 -1.863 -2.962 1.00 0.00 H new ATOM 0 HA HIS A 68 7.996 0.657 -2.414 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.221 -1.448 -4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.008 0.114 -4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.079 -2.938 -2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.858 -1.023 -2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.458 -3.000 -1.175 1.00 0.00 H new ATOM 998 N LEU A 69 6.356 2.065 -3.525 1.00 0.00 N ATOM 999 CA LEU A 69 5.463 2.975 -4.222 1.00 0.00 C ATOM 1000 C LEU A 69 6.186 3.565 -5.434 1.00 0.00 C ATOM 1001 O LEU A 69 7.406 3.717 -5.420 1.00 0.00 O ATOM 1002 CB LEU A 69 4.915 4.029 -3.259 1.00 0.00 C ATOM 1003 CG LEU A 69 4.330 5.287 -3.903 1.00 0.00 C ATOM 1004 CD1 LEU A 69 3.175 4.936 -4.843 1.00 0.00 C ATOM 1005 CD2 LEU A 69 3.913 6.306 -2.840 1.00 0.00 C ATOM 0 H LEU A 69 6.805 2.457 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 69 4.593 2.439 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.142 3.565 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.718 4.329 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 69 5.108 5.753 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.777 5.848 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.536 4.276 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.388 4.434 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.501 7.190 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.159 5.864 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.783 6.590 -2.247 1.00 0.00 H new ATOM 1016 N VAL A 70 5.403 3.883 -6.454 1.00 0.00 N ATOM 1017 CA VAL A 70 5.953 4.452 -7.671 1.00 0.00 C ATOM 1018 C VAL A 70 5.983 5.978 -7.547 1.00 0.00 C ATOM 1019 O VAL A 70 5.965 6.514 -6.441 1.00 0.00 O ATOM 1020 CB VAL A 70 5.156 3.967 -8.884 1.00 0.00 C ATOM 1021 CG1 VAL A 70 4.779 2.492 -8.736 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.914 4.833 -9.107 1.00 0.00 C ATOM 0 H VAL A 70 4.391 3.757 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 70 6.980 4.117 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 70 5.792 4.063 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.213 2.172 -9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.685 1.892 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.170 2.360 -7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.366 4.467 -9.975 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.274 4.784 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.217 5.866 -9.279 1.00 0.00 H new ATOM 1032 N LEU A 71 6.028 6.632 -8.698 1.00 0.00 N ATOM 1033 CA LEU A 71 6.059 8.085 -8.732 1.00 0.00 C ATOM 1034 C LEU A 71 5.141 8.637 -7.639 1.00 0.00 C ATOM 1035 O LEU A 71 3.966 8.278 -7.571 1.00 0.00 O ATOM 1036 CB LEU A 71 5.723 8.596 -10.135 1.00 0.00 C ATOM 1037 CG LEU A 71 6.907 8.766 -11.089 1.00 0.00 C ATOM 1038 CD1 LEU A 71 8.023 9.583 -10.436 1.00 0.00 C ATOM 1039 CD2 LEU A 71 7.407 7.410 -11.591 1.00 0.00 C ATOM 0 H LEU A 71 6.044 6.183 -9.614 1.00 0.00 H new ATOM 0 HA LEU A 71 7.064 8.449 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.011 7.907 -10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.219 9.558 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 71 6.566 9.325 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.853 9.689 -11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.644 10.570 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.369 9.073 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.249 7.560 -12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.726 6.803 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.603 6.899 -12.121 1.00 0.00 H new ATOM 1050 N ARG A 72 5.712 9.500 -6.812 1.00 0.00 N ATOM 1051 CA ARG A 72 4.960 10.105 -5.726 1.00 0.00 C ATOM 1052 C ARG A 72 4.104 11.260 -6.251 1.00 0.00 C ATOM 1053 O ARG A 72 4.335 11.756 -7.353 1.00 0.00 O ATOM 1054 CB ARG A 72 5.894 10.627 -4.633 1.00 0.00 C ATOM 1055 CG ARG A 72 5.403 10.208 -3.246 1.00 0.00 C ATOM 1056 CD ARG A 72 6.291 10.800 -2.149 1.00 0.00 C ATOM 1057 NE ARG A 72 6.152 12.273 -2.124 1.00 0.00 N ATOM 1058 CZ ARG A 72 5.113 12.920 -1.578 1.00 0.00 C ATOM 1059 NH1 ARG A 72 4.116 12.228 -1.009 1.00 0.00 N ATOM 1060 NH2 ARG A 72 5.071 14.259 -1.601 1.00 0.00 N ATOM 0 H ARG A 72 6.687 9.795 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 72 4.316 9.336 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.901 10.244 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.953 11.714 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.374 10.540 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.401 9.121 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.013 10.384 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.332 10.528 -2.326 1.00 0.00 H new ATOM 0 HE ARG A 72 6.893 12.831 -2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.148 11.209 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.325 12.721 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.830 14.786 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.280 14.752 -1.186 1.00 0.00 H new ATOM 1071 N LEU A 73 3.134 11.653 -5.439 1.00 0.00 N ATOM 1072 CA LEU A 73 2.243 12.740 -5.808 1.00 0.00 C ATOM 1073 C LEU A 73 2.070 13.680 -4.614 1.00 0.00 C ATOM 1074 O LEU A 73 2.724 13.509 -3.586 1.00 0.00 O ATOM 1075 CB LEU A 73 0.925 12.189 -6.355 1.00 0.00 C ATOM 1076 CG LEU A 73 0.995 11.519 -7.728 1.00 0.00 C ATOM 1077 CD1 LEU A 73 0.743 10.014 -7.617 1.00 0.00 C ATOM 1078 CD2 LEU A 73 0.037 12.190 -8.715 1.00 0.00 C ATOM 0 H LEU A 73 2.945 11.238 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 73 2.675 13.330 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.532 11.466 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.207 13.007 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 73 2.004 11.648 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.798 9.562 -8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.497 9.565 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.247 9.841 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.106 11.695 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.984 12.113 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.305 13.241 -8.825 1.00 0.00 H new ATOM 1089 N ARG A 74 1.187 14.651 -4.788 1.00 0.00 N ATOM 1090 CA ARG A 74 0.919 15.618 -3.737 1.00 0.00 C ATOM 1091 C ARG A 74 0.615 14.900 -2.421 1.00 0.00 C ATOM 1092 O ARG A 74 -0.100 13.899 -2.407 1.00 0.00 O ATOM 1093 CB ARG A 74 -0.262 16.519 -4.105 1.00 0.00 C ATOM 1094 CG ARG A 74 0.203 17.728 -4.919 1.00 0.00 C ATOM 1095 CD ARG A 74 0.225 17.406 -6.416 1.00 0.00 C ATOM 1096 NE ARG A 74 -1.157 17.289 -6.929 1.00 0.00 N ATOM 1097 CZ ARG A 74 -1.960 18.335 -7.169 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -1.522 19.581 -6.944 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -3.200 18.134 -7.635 1.00 0.00 N ATOM 0 H ARG A 74 0.647 14.789 -5.642 1.00 0.00 H new ATOM 0 HA ARG A 74 1.809 16.236 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.993 15.950 -4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.762 16.858 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.461 18.572 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.199 18.029 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.757 18.188 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.766 16.475 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.522 16.354 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.578 19.733 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.133 20.377 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.533 17.185 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.811 18.930 -7.818 1.00 0.00 H new ATOM 1110 N GLY A 75 1.171 15.441 -1.347 1.00 0.00 N ATOM 1111 CA GLY A 75 0.968 14.865 -0.029 1.00 0.00 C ATOM 1112 C GLY A 75 1.914 15.492 0.996 1.00 0.00 C ATOM 1113 O GLY A 75 3.073 15.094 1.102 1.00 0.00 O ATOM 0 H GLY A 75 1.762 16.272 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.065 15.018 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.132 13.788 -0.070 1.00 0.00 H new ATOM 1117 N GLY A 76 1.385 16.464 1.725 1.00 0.00 N ATOM 1118 CA GLY A 76 2.168 17.151 2.738 1.00 0.00 C ATOM 1119 C GLY A 76 1.328 17.428 3.987 1.00 0.00 C ATOM 1120 O GLY A 76 0.723 18.492 4.109 1.00 0.00 O ATOM 0 H GLY A 76 0.423 16.792 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.034 16.546 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.547 18.090 2.335 1.00 0.00 H new TER 1124 GLY A 76