USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 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 Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.495! USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0.0997 (180deg=0.0996) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -13.1! (180deg=-14.3!) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -4.12! (180deg=-4.42!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.46 F(o=-4.9!,f=-1.5) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 31 GLN : amide:sc= -15.1! C(o=-15!,f=-17!) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.199 (180deg=-1.37!) USER MOD Single : A 36 TYR OH : rot 15:sc= -3.29! USER MOD Single : A 38 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.019) USER MOD Single : A 40 TYR OH : rot 16:sc= -3.63! USER MOD Single : A 42 GLN : amide:sc= -0.936 X(o=-0.94,f=-1) USER MOD Single : A 43 HIS : no HE2:sc= -8.72! C(o=-8.7!,f=-14!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 48 ASN : amide:sc= -5.67! C(o=-5.7!,f=-6.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.287 9.196 -9.516 1.00 0.00 N ATOM 2 CA PRO A 1 -3.274 9.228 -8.390 1.00 0.00 C ATOM 3 C PRO A 1 -2.539 9.071 -7.058 1.00 0.00 C ATOM 4 O PRO A 1 -1.906 8.066 -6.802 1.00 0.00 O ATOM 5 CB PRO A 1 -4.257 8.073 -8.576 1.00 0.00 C ATOM 6 CG PRO A 1 -3.861 7.331 -9.840 1.00 0.00 C ATOM 7 CD PRO A 1 -2.555 7.994 -10.362 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.335 9.164 -9.150 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.363 10.045 -10.076 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.809 10.177 -8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.230 7.405 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -5.277 8.448 -8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -3.701 6.273 -9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.651 7.393 -10.588 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.722 7.294 -10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.663 8.279 -11.409 1.00 0.00 H new ATOM 17 N GLU A 2 -2.618 10.056 -6.205 1.00 0.00 N ATOM 18 CA GLU A 2 -1.923 9.960 -4.890 1.00 0.00 C ATOM 19 C GLU A 2 -2.416 8.721 -4.143 1.00 0.00 C ATOM 20 O GLU A 2 -3.601 8.467 -4.049 1.00 0.00 O ATOM 21 CB GLU A 2 -2.223 11.210 -4.060 1.00 0.00 C ATOM 22 CG GLU A 2 -0.908 11.856 -3.620 1.00 0.00 C ATOM 23 CD GLU A 2 -1.206 13.146 -2.852 1.00 0.00 C ATOM 24 OE1 GLU A 2 -1.899 13.990 -3.397 1.00 0.00 O ATOM 25 OE2 GLU A 2 -0.738 13.266 -1.732 1.00 0.00 O ATOM 0 H GLU A 2 -3.133 10.922 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.848 9.883 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.810 11.917 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.821 10.946 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.345 11.167 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.288 12.073 -4.490 1.00 0.00 H new ATOM 32 N PHE A 3 -1.513 7.945 -3.615 1.00 0.00 N ATOM 33 CA PHE A 3 -1.911 6.720 -2.876 1.00 0.00 C ATOM 34 C PHE A 3 -1.107 6.670 -1.577 1.00 0.00 C ATOM 35 O PHE A 3 -0.187 7.437 -1.374 1.00 0.00 O ATOM 36 CB PHE A 3 -1.629 5.506 -3.781 1.00 0.00 C ATOM 37 CG PHE A 3 -1.197 4.306 -3.015 1.00 0.00 C ATOM 38 CD1 PHE A 3 0.093 4.278 -2.527 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.041 3.196 -2.853 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.562 3.158 -1.878 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.568 2.062 -2.209 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.266 2.033 -1.721 1.00 0.00 C ATOM 0 H PHE A 3 -0.508 8.110 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.971 6.716 -2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.528 5.265 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.856 5.768 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.736 5.136 -2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.053 3.225 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.569 3.144 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.210 1.202 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.107 1.150 -1.224 1.00 0.00 H new ATOM 52 N LEU A 4 -1.467 5.800 -0.689 1.00 0.00 N ATOM 53 CA LEU A 4 -0.745 5.728 0.618 1.00 0.00 C ATOM 54 C LEU A 4 0.736 5.436 0.402 1.00 0.00 C ATOM 55 O LEU A 4 1.148 4.303 0.317 1.00 0.00 O ATOM 56 CB LEU A 4 -1.339 4.605 1.465 1.00 0.00 C ATOM 57 CG LEU A 4 -1.323 3.336 0.642 1.00 0.00 C ATOM 58 CD1 LEU A 4 -0.236 2.394 1.159 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.656 2.659 0.788 1.00 0.00 C ATOM 0 H LEU A 4 -2.229 5.131 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.853 6.688 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.762 4.472 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.358 4.852 1.764 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.124 3.579 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.230 1.482 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.735 2.883 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.437 2.144 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.664 1.741 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.830 2.420 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.443 3.324 0.432 1.00 0.00 H new ATOM 71 N GLU A 5 1.562 6.434 0.368 1.00 0.00 N ATOM 72 CA GLU A 5 3.009 6.149 0.222 1.00 0.00 C ATOM 73 C GLU A 5 3.497 5.549 1.553 1.00 0.00 C ATOM 74 O GLU A 5 4.621 5.108 1.681 1.00 0.00 O ATOM 75 CB GLU A 5 3.758 7.438 -0.116 1.00 0.00 C ATOM 76 CG GLU A 5 3.166 8.057 -1.395 1.00 0.00 C ATOM 77 CD GLU A 5 2.000 8.976 -1.022 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.910 9.345 0.138 1.00 0.00 O ATOM 79 OE2 GLU A 5 1.218 9.294 -1.902 1.00 0.00 O ATOM 0 H GLU A 5 1.306 7.419 0.434 1.00 0.00 H new ATOM 0 HA GLU A 5 3.194 5.444 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.681 8.143 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.818 7.228 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.932 8.621 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.823 7.271 -2.068 1.00 0.00 H new ATOM 86 N ASP A 6 2.622 5.511 2.537 1.00 0.00 N ATOM 87 CA ASP A 6 2.955 4.925 3.864 1.00 0.00 C ATOM 88 C ASP A 6 1.631 4.563 4.549 1.00 0.00 C ATOM 89 O ASP A 6 1.035 5.392 5.206 1.00 0.00 O ATOM 90 CB ASP A 6 3.714 5.948 4.714 1.00 0.00 C ATOM 91 CG ASP A 6 5.188 5.545 4.795 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.609 4.745 3.977 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.871 6.046 5.674 1.00 0.00 O ATOM 0 H ASP A 6 1.671 5.873 2.465 1.00 0.00 H new ATOM 0 HA ASP A 6 3.586 4.044 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.621 6.942 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.283 5.998 5.714 1.00 0.00 H new ATOM 98 N PRO A 7 1.196 3.343 4.336 1.00 0.00 N ATOM 99 CA PRO A 7 -0.080 2.836 4.888 1.00 0.00 C ATOM 100 C PRO A 7 0.050 2.472 6.370 1.00 0.00 C ATOM 101 O PRO A 7 -0.169 1.340 6.755 1.00 0.00 O ATOM 102 CB PRO A 7 -0.357 1.573 4.071 1.00 0.00 C ATOM 103 CG PRO A 7 1.008 1.115 3.515 1.00 0.00 C ATOM 104 CD PRO A 7 1.934 2.353 3.527 1.00 0.00 C ATOM 0 HA PRO A 7 -0.873 3.582 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.805 0.797 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.058 1.778 3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.425 0.314 4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.901 0.722 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.904 2.122 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.121 2.721 2.518 1.00 0.00 H new ATOM 112 N SER A 8 0.400 3.404 7.207 1.00 0.00 N ATOM 113 CA SER A 8 0.533 3.078 8.653 1.00 0.00 C ATOM 114 C SER A 8 -0.700 3.580 9.414 1.00 0.00 C ATOM 115 O SER A 8 -0.784 3.460 10.620 1.00 0.00 O ATOM 116 CB SER A 8 1.786 3.752 9.214 1.00 0.00 C ATOM 117 OG SER A 8 2.909 2.906 9.014 1.00 0.00 O ATOM 0 H SER A 8 0.599 4.372 6.956 1.00 0.00 H new ATOM 0 HA SER A 8 0.614 1.998 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.947 4.711 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.657 3.957 10.277 1.00 0.00 H new ATOM 0 HG SER A 8 3.712 3.339 9.372 1.00 0.00 H new ATOM 123 N VAL A 9 -1.650 4.158 8.726 1.00 0.00 N ATOM 124 CA VAL A 9 -2.853 4.679 9.408 1.00 0.00 C ATOM 125 C VAL A 9 -4.096 3.877 8.982 1.00 0.00 C ATOM 126 O VAL A 9 -5.165 4.039 9.538 1.00 0.00 O ATOM 127 CB VAL A 9 -2.990 6.161 9.031 1.00 0.00 C ATOM 128 CG1 VAL A 9 -4.445 6.522 8.763 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.435 7.002 10.169 1.00 0.00 C ATOM 0 H VAL A 9 -1.636 4.288 7.714 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.762 4.578 10.490 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.430 6.356 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.515 7.577 8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.825 5.915 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.038 6.332 9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.524 8.059 9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.997 6.797 11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.385 6.754 10.326 1.00 0.00 H new ATOM 139 N LEU A 10 -3.973 3.024 8.002 1.00 0.00 N ATOM 140 CA LEU A 10 -5.159 2.233 7.552 1.00 0.00 C ATOM 141 C LEU A 10 -5.081 0.825 8.117 1.00 0.00 C ATOM 142 O LEU A 10 -5.745 0.524 9.088 1.00 0.00 O ATOM 143 CB LEU A 10 -5.250 2.196 5.996 1.00 0.00 C ATOM 144 CG LEU A 10 -3.940 2.751 5.385 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.910 2.556 3.868 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.832 4.248 5.686 1.00 0.00 C ATOM 0 H LEU A 10 -3.108 2.839 7.494 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.062 2.717 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.417 1.174 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.100 2.788 5.657 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.105 2.208 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.978 2.956 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.978 1.493 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.753 3.080 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.910 4.640 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.685 4.769 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.824 4.403 6.765 1.00 0.00 H new ATOM 158 N THR A 11 -4.324 -0.051 7.508 1.00 0.00 N ATOM 159 CA THR A 11 -4.258 -1.458 7.974 1.00 0.00 C ATOM 160 C THR A 11 -3.819 -2.308 6.793 1.00 0.00 C ATOM 161 O THR A 11 -3.514 -1.794 5.739 1.00 0.00 O ATOM 162 CB THR A 11 -5.668 -1.881 8.378 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.784 -3.295 8.395 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.658 -1.290 7.365 1.00 0.00 C ATOM 0 H THR A 11 -3.742 0.157 6.696 1.00 0.00 H new ATOM 0 HA THR A 11 -3.570 -1.571 8.811 1.00 0.00 H new ATOM 0 HB THR A 11 -5.884 -1.513 9.381 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.694 -3.545 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.673 -1.581 7.636 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.578 -0.203 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.427 -1.666 6.368 1.00 0.00 H new ATOM 172 N LYS A 12 -3.802 -3.596 6.936 1.00 0.00 N ATOM 173 CA LYS A 12 -3.408 -4.445 5.785 1.00 0.00 C ATOM 174 C LYS A 12 -4.658 -4.770 4.955 1.00 0.00 C ATOM 175 O LYS A 12 -4.650 -5.664 4.132 1.00 0.00 O ATOM 176 CB LYS A 12 -2.803 -5.757 6.292 1.00 0.00 C ATOM 177 CG LYS A 12 -1.338 -5.889 5.855 1.00 0.00 C ATOM 178 CD LYS A 12 -0.442 -5.519 7.037 1.00 0.00 C ATOM 179 CE LYS A 12 -0.557 -6.595 8.122 1.00 0.00 C ATOM 180 NZ LYS A 12 0.127 -6.127 9.360 1.00 0.00 N ATOM 0 H LYS A 12 -4.041 -4.097 7.792 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.675 -3.913 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.867 -5.796 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.378 -6.600 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.131 -6.908 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.136 -5.235 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.593 -5.428 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.735 -4.549 7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.606 -6.806 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.108 -7.526 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.035 -6.850 10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.134 -5.963 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.310 -5.241 9.684 1.00 0.00 H new ATOM 194 N ASP A 13 -5.740 -4.067 5.179 1.00 0.00 N ATOM 195 CA ASP A 13 -6.990 -4.359 4.415 1.00 0.00 C ATOM 196 C ASP A 13 -7.480 -3.117 3.658 1.00 0.00 C ATOM 197 O ASP A 13 -8.073 -3.237 2.605 1.00 0.00 O ATOM 198 CB ASP A 13 -8.076 -4.811 5.398 1.00 0.00 C ATOM 199 CG ASP A 13 -8.687 -6.128 4.921 1.00 0.00 C ATOM 200 OD1 ASP A 13 -9.604 -6.076 4.117 1.00 0.00 O ATOM 201 OD2 ASP A 13 -8.229 -7.167 5.366 1.00 0.00 O ATOM 0 H ASP A 13 -5.811 -3.307 5.855 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.779 -5.142 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.650 -4.936 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.850 -4.047 5.476 1.00 0.00 H new ATOM 206 N LYS A 14 -7.248 -1.927 4.150 1.00 0.00 N ATOM 207 CA LYS A 14 -7.717 -0.747 3.394 1.00 0.00 C ATOM 208 C LYS A 14 -6.745 -0.551 2.234 1.00 0.00 C ATOM 209 O LYS A 14 -7.140 -0.451 1.089 1.00 0.00 O ATOM 210 CB LYS A 14 -7.762 0.462 4.314 1.00 0.00 C ATOM 211 CG LYS A 14 -8.534 1.609 3.649 1.00 0.00 C ATOM 212 CD LYS A 14 -7.823 2.062 2.362 1.00 0.00 C ATOM 213 CE LYS A 14 -6.341 2.258 2.666 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.569 2.400 1.426 1.00 0.00 N ATOM 0 H LYS A 14 -6.763 -1.731 5.026 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.726 -0.884 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.238 0.193 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.748 0.786 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.549 1.286 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.617 2.448 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.953 1.317 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.260 2.991 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.207 3.144 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.967 1.408 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.565 2.211 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.920 1.722 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.675 3.368 1.060 1.00 0.00 H new ATOM 228 N LEU A 15 -5.461 -0.560 2.513 1.00 0.00 N ATOM 229 CA LEU A 15 -4.462 -0.433 1.403 1.00 0.00 C ATOM 230 C LEU A 15 -4.901 -1.352 0.267 1.00 0.00 C ATOM 231 O LEU A 15 -4.523 -1.173 -0.869 1.00 0.00 O ATOM 232 CB LEU A 15 -3.043 -0.847 1.848 1.00 0.00 C ATOM 233 CG LEU A 15 -3.044 -1.399 3.265 1.00 0.00 C ATOM 234 CD1 LEU A 15 -3.959 -2.601 3.339 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.630 -1.839 3.628 1.00 0.00 C ATOM 0 H LEU A 15 -5.066 -0.649 3.449 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.424 0.611 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.650 -1.599 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.377 0.014 1.792 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.389 -0.629 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.959 -2.996 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.971 -2.305 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.607 -3.369 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.622 -2.236 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.300 -2.611 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.956 -0.984 3.567 1.00 0.00 H new ATOM 247 N LYS A 16 -5.704 -2.336 0.573 1.00 0.00 N ATOM 248 CA LYS A 16 -6.185 -3.268 -0.443 1.00 0.00 C ATOM 249 C LYS A 16 -7.331 -2.615 -1.215 1.00 0.00 C ATOM 250 O LYS A 16 -7.294 -2.477 -2.420 1.00 0.00 O ATOM 251 CB LYS A 16 -6.739 -4.478 0.308 1.00 0.00 C ATOM 252 CG LYS A 16 -5.879 -5.705 0.106 1.00 0.00 C ATOM 253 CD LYS A 16 -6.754 -6.938 0.313 1.00 0.00 C ATOM 254 CE LYS A 16 -6.684 -7.385 1.769 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.986 -7.106 2.434 1.00 0.00 N ATOM 0 H LYS A 16 -6.046 -2.523 1.516 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.390 -3.546 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.801 -4.249 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.753 -4.685 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.449 -5.707 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.047 -5.706 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.785 -6.713 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.422 -7.745 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.456 -8.449 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.880 -6.860 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.015 -7.587 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.091 -6.081 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.763 -7.455 1.837 1.00 0.00 H new ATOM 269 N SER A 17 -8.356 -2.221 -0.507 1.00 0.00 N ATOM 270 CA SER A 17 -9.530 -1.582 -1.166 1.00 0.00 C ATOM 271 C SER A 17 -9.048 -0.550 -2.175 1.00 0.00 C ATOM 272 O SER A 17 -9.733 -0.226 -3.126 1.00 0.00 O ATOM 273 CB SER A 17 -10.398 -0.894 -0.117 1.00 0.00 C ATOM 274 OG SER A 17 -11.582 -1.650 0.091 1.00 0.00 O ATOM 0 H SER A 17 -8.430 -2.315 0.506 1.00 0.00 H new ATOM 0 HA SER A 17 -10.115 -2.347 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.847 -0.797 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.651 0.115 -0.444 1.00 0.00 H new ATOM 0 HG SER A 17 -12.138 -1.208 0.766 1.00 0.00 H new ATOM 280 N GLU A 18 -7.876 -0.028 -1.976 1.00 0.00 N ATOM 281 CA GLU A 18 -7.351 0.983 -2.921 1.00 0.00 C ATOM 282 C GLU A 18 -6.513 0.279 -3.990 1.00 0.00 C ATOM 283 O GLU A 18 -6.769 0.428 -5.164 1.00 0.00 O ATOM 284 CB GLU A 18 -6.516 2.001 -2.148 1.00 0.00 C ATOM 285 CG GLU A 18 -7.279 2.387 -0.864 1.00 0.00 C ATOM 286 CD GLU A 18 -8.638 2.979 -1.239 1.00 0.00 C ATOM 287 OE1 GLU A 18 -8.654 3.995 -1.915 1.00 0.00 O ATOM 288 OE2 GLU A 18 -9.642 2.407 -0.844 1.00 0.00 O ATOM 0 H GLU A 18 -7.259 -0.259 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.168 1.509 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.542 1.580 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.334 2.884 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.414 1.510 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.701 3.110 -0.288 1.00 0.00 H new ATOM 295 N LEU A 19 -5.525 -0.492 -3.596 1.00 0.00 N ATOM 296 CA LEU A 19 -4.684 -1.224 -4.595 1.00 0.00 C ATOM 297 C LEU A 19 -5.554 -1.677 -5.769 1.00 0.00 C ATOM 298 O LEU A 19 -5.207 -1.502 -6.919 1.00 0.00 O ATOM 299 CB LEU A 19 -4.058 -2.463 -3.942 1.00 0.00 C ATOM 300 CG LEU A 19 -2.755 -2.080 -3.273 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.624 -2.821 -1.945 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.630 -2.516 -4.183 1.00 0.00 C ATOM 0 H LEU A 19 -5.265 -0.645 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.899 -0.556 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.744 -2.886 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.880 -3.232 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.723 -1.006 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.685 -2.544 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.457 -2.553 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.636 -3.896 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.674 -2.255 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.679 -3.595 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.725 -2.013 -5.146 1.00 0.00 H new ATOM 314 N VAL A 20 -6.689 -2.255 -5.482 1.00 0.00 N ATOM 315 CA VAL A 20 -7.590 -2.713 -6.575 1.00 0.00 C ATOM 316 C VAL A 20 -7.875 -1.532 -7.508 1.00 0.00 C ATOM 317 O VAL A 20 -7.690 -1.610 -8.706 1.00 0.00 O ATOM 318 CB VAL A 20 -8.899 -3.230 -5.961 1.00 0.00 C ATOM 319 CG1 VAL A 20 -9.995 -3.270 -7.029 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.676 -4.640 -5.412 1.00 0.00 C ATOM 0 H VAL A 20 -7.030 -2.429 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.121 -3.516 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.207 -2.563 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.921 -3.638 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.155 -2.267 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.691 -3.934 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.603 -5.011 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.366 -5.301 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.899 -4.614 -4.648 1.00 0.00 H new ATOM 330 N ALA A 21 -8.325 -0.441 -6.958 1.00 0.00 N ATOM 331 CA ALA A 21 -8.632 0.759 -7.788 1.00 0.00 C ATOM 332 C ALA A 21 -7.348 1.333 -8.396 1.00 0.00 C ATOM 333 O ALA A 21 -7.391 2.130 -9.311 1.00 0.00 O ATOM 334 CB ALA A 21 -9.266 1.823 -6.893 1.00 0.00 C ATOM 0 H ALA A 21 -8.496 -0.327 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.310 0.472 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.496 2.708 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.184 1.431 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.571 2.091 -6.098 1.00 0.00 H new ATOM 340 N ASN A 22 -6.209 0.961 -7.881 1.00 0.00 N ATOM 341 CA ASN A 22 -4.937 1.520 -8.417 1.00 0.00 C ATOM 342 C ASN A 22 -4.251 0.507 -9.343 1.00 0.00 C ATOM 343 O ASN A 22 -3.043 0.373 -9.347 1.00 0.00 O ATOM 344 CB ASN A 22 -4.026 1.872 -7.236 1.00 0.00 C ATOM 345 CG ASN A 22 -4.820 2.765 -6.272 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.049 2.378 -5.042 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 -5.243 3.841 -6.647 1.00 0.00 N flip ATOM 0 H ASN A 22 -6.104 0.296 -7.115 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.145 2.415 -9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.693 0.966 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.132 2.389 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.070 4.152 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.771 4.433 -6.006 1.00 0.00 H new ATOM 354 N ASN A 23 -5.015 -0.181 -10.145 1.00 0.00 N ATOM 355 CA ASN A 23 -4.420 -1.164 -11.099 1.00 0.00 C ATOM 356 C ASN A 23 -3.638 -2.250 -10.354 1.00 0.00 C ATOM 357 O ASN A 23 -2.512 -2.555 -10.693 1.00 0.00 O ATOM 358 CB ASN A 23 -3.476 -0.429 -12.053 1.00 0.00 C ATOM 359 CG ASN A 23 -4.140 -0.290 -13.424 1.00 0.00 C ATOM 360 OD1 ASN A 23 -4.442 -1.274 -14.068 1.00 0.00 O ATOM 361 ND2 ASN A 23 -4.384 0.901 -13.899 1.00 0.00 N ATOM 0 H ASN A 23 -6.032 -0.106 -10.182 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.228 -1.640 -11.655 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.233 0.556 -11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.538 -0.976 -12.146 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.828 1.005 -14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.130 1.728 -13.358 1.00 0.00 H new ATOM 368 N VAL A 24 -4.226 -2.854 -9.357 1.00 0.00 N ATOM 369 CA VAL A 24 -3.509 -3.931 -8.621 1.00 0.00 C ATOM 370 C VAL A 24 -4.506 -5.023 -8.236 1.00 0.00 C ATOM 371 O VAL A 24 -5.414 -4.797 -7.461 1.00 0.00 O ATOM 372 CB VAL A 24 -2.870 -3.360 -7.355 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.866 -4.374 -6.798 1.00 0.00 C ATOM 374 CG2 VAL A 24 -2.142 -2.058 -7.693 1.00 0.00 C ATOM 0 H VAL A 24 -5.167 -2.649 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.729 -4.347 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.643 -3.160 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.407 -3.973 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.382 -5.304 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.094 -4.568 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.686 -1.651 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.367 -2.256 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.853 -1.338 -8.097 1.00 0.00 H new ATOM 384 N THR A 25 -4.351 -6.207 -8.766 1.00 0.00 N ATOM 385 CA THR A 25 -5.296 -7.290 -8.418 1.00 0.00 C ATOM 386 C THR A 25 -5.011 -7.762 -6.996 1.00 0.00 C ATOM 387 O THR A 25 -3.948 -7.535 -6.452 1.00 0.00 O ATOM 388 CB THR A 25 -5.124 -8.462 -9.375 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.954 -8.275 -10.159 1.00 0.00 O ATOM 390 CG2 THR A 25 -6.346 -8.566 -10.289 1.00 0.00 C ATOM 0 H THR A 25 -3.612 -6.464 -9.421 1.00 0.00 H new ATOM 0 HA THR A 25 -6.316 -6.913 -8.493 1.00 0.00 H new ATOM 0 HB THR A 25 -5.026 -9.383 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.846 -9.032 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.219 -9.406 -10.972 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.240 -8.722 -9.685 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.451 -7.645 -10.862 1.00 0.00 H new ATOM 398 N LEU A 26 -5.962 -8.407 -6.388 1.00 0.00 N ATOM 399 CA LEU A 26 -5.769 -8.890 -4.990 1.00 0.00 C ATOM 400 C LEU A 26 -5.736 -10.427 -5.010 1.00 0.00 C ATOM 401 O LEU A 26 -6.765 -11.061 -5.133 1.00 0.00 O ATOM 402 CB LEU A 26 -6.944 -8.423 -4.114 1.00 0.00 C ATOM 403 CG LEU A 26 -7.115 -6.894 -4.098 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.903 -6.349 -2.690 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.163 -6.177 -5.050 1.00 0.00 C ATOM 0 H LEU A 26 -6.870 -8.623 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.839 -8.493 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.864 -8.882 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.792 -8.776 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.133 -6.700 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.028 -5.266 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.633 -6.794 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.897 -6.596 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.333 -5.102 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.133 -6.397 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.342 -6.519 -6.069 1.00 0.00 H new ATOM 417 N PRO A 27 -4.554 -10.980 -4.900 1.00 0.00 N ATOM 418 CA PRO A 27 -4.356 -12.439 -4.917 1.00 0.00 C ATOM 419 C PRO A 27 -4.750 -13.065 -3.576 1.00 0.00 C ATOM 420 O PRO A 27 -5.659 -13.868 -3.505 1.00 0.00 O ATOM 421 CB PRO A 27 -2.856 -12.595 -5.182 1.00 0.00 C ATOM 422 CG PRO A 27 -2.195 -11.263 -4.758 1.00 0.00 C ATOM 423 CD PRO A 27 -3.309 -10.204 -4.745 1.00 0.00 C ATOM 0 HA PRO A 27 -4.971 -12.941 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.446 -13.430 -4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.668 -12.804 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.736 -11.354 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.404 -10.984 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.307 -9.637 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.185 -9.486 -5.556 1.00 0.00 H new ATOM 431 N ALA A 28 -4.077 -12.713 -2.516 1.00 0.00 N ATOM 432 CA ALA A 28 -4.426 -13.300 -1.190 1.00 0.00 C ATOM 433 C ALA A 28 -5.935 -13.175 -0.965 1.00 0.00 C ATOM 434 O ALA A 28 -6.653 -12.650 -1.792 1.00 0.00 O ATOM 435 CB ALA A 28 -3.676 -12.554 -0.084 1.00 0.00 C ATOM 0 H ALA A 28 -3.304 -12.048 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.140 -14.352 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.933 -12.985 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.602 -12.644 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.958 -11.501 -0.099 1.00 0.00 H new ATOM 441 N GLY A 29 -6.424 -13.648 0.148 1.00 0.00 N ATOM 442 CA GLY A 29 -7.890 -13.549 0.415 1.00 0.00 C ATOM 443 C GLY A 29 -8.142 -12.528 1.525 1.00 0.00 C ATOM 444 O GLY A 29 -9.203 -11.943 1.615 1.00 0.00 O ATOM 0 H GLY A 29 -5.876 -14.097 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.416 -13.252 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.283 -14.523 0.707 1.00 0.00 H new ATOM 448 N GLU A 30 -7.175 -12.308 2.369 1.00 0.00 N ATOM 449 CA GLU A 30 -7.358 -11.324 3.472 1.00 0.00 C ATOM 450 C GLU A 30 -6.044 -10.579 3.706 1.00 0.00 C ATOM 451 O GLU A 30 -5.977 -9.371 3.596 1.00 0.00 O ATOM 452 CB GLU A 30 -7.764 -12.058 4.751 1.00 0.00 C ATOM 453 CG GLU A 30 -9.107 -11.518 5.246 1.00 0.00 C ATOM 454 CD GLU A 30 -8.978 -11.089 6.708 1.00 0.00 C ATOM 455 OE1 GLU A 30 -8.172 -11.679 7.409 1.00 0.00 O ATOM 456 OE2 GLU A 30 -9.688 -10.179 7.103 1.00 0.00 O ATOM 0 H GLU A 30 -6.265 -12.767 2.343 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.139 -10.613 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.839 -13.129 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.001 -11.923 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.418 -10.672 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.877 -12.283 5.147 1.00 0.00 H new ATOM 463 N GLN A 31 -5.003 -11.293 4.040 1.00 0.00 N ATOM 464 CA GLN A 31 -3.682 -10.643 4.286 1.00 0.00 C ATOM 465 C GLN A 31 -2.703 -11.701 4.756 1.00 0.00 C ATOM 466 O GLN A 31 -2.470 -11.857 5.937 1.00 0.00 O ATOM 467 CB GLN A 31 -3.835 -9.561 5.364 1.00 0.00 C ATOM 468 CG GLN A 31 -2.520 -8.857 5.618 1.00 0.00 C ATOM 469 CD GLN A 31 -2.418 -8.590 7.122 1.00 0.00 C ATOM 470 OE1 GLN A 31 -3.215 -7.857 7.671 1.00 0.00 O ATOM 471 NE2 GLN A 31 -1.491 -9.186 7.822 1.00 0.00 N ATOM 0 H GLN A 31 -5.011 -12.307 4.154 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.316 -10.180 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.585 -8.835 5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.194 -10.013 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.686 -9.472 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.473 -7.922 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.821 -9.802 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.437 -9.036 8.829 1.00 0.00 H new ATOM 480 N ARG A 32 -2.120 -12.413 3.833 1.00 0.00 N ATOM 481 CA ARG A 32 -1.144 -13.440 4.163 1.00 0.00 C ATOM 482 C ARG A 32 -0.322 -12.990 5.378 1.00 0.00 C ATOM 483 O ARG A 32 -0.304 -13.628 6.413 1.00 0.00 O ATOM 484 CB ARG A 32 -0.268 -13.539 2.926 1.00 0.00 C ATOM 485 CG ARG A 32 0.717 -14.652 3.097 1.00 0.00 C ATOM 486 CD ARG A 32 2.005 -14.077 3.692 1.00 0.00 C ATOM 487 NE ARG A 32 3.025 -13.928 2.616 1.00 0.00 N ATOM 488 CZ ARG A 32 4.163 -13.343 2.871 1.00 0.00 C ATOM 489 NH1 ARG A 32 4.208 -12.333 3.696 1.00 0.00 N ATOM 490 NH2 ARG A 32 5.257 -13.769 2.301 1.00 0.00 N ATOM 0 H ARG A 32 -2.299 -12.307 2.834 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.597 -14.398 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.884 -13.717 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.256 -12.597 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.308 -15.422 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.922 -15.126 2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.805 -13.111 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.381 -14.734 4.476 1.00 0.00 H new ATOM 0 HE ARG A 32 2.833 -14.284 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.353 -12.000 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.098 -11.876 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.222 -14.559 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.147 -13.312 2.500 1.00 0.00 H new ATOM 504 N LYS A 33 0.325 -11.870 5.250 1.00 0.00 N ATOM 505 CA LYS A 33 1.127 -11.304 6.369 1.00 0.00 C ATOM 506 C LYS A 33 1.778 -10.024 5.858 1.00 0.00 C ATOM 507 O LYS A 33 2.938 -10.015 5.499 1.00 0.00 O ATOM 508 CB LYS A 33 2.205 -12.293 6.821 1.00 0.00 C ATOM 509 CG LYS A 33 2.640 -11.952 8.247 1.00 0.00 C ATOM 510 CD LYS A 33 1.693 -12.622 9.244 1.00 0.00 C ATOM 511 CE LYS A 33 2.508 -13.310 10.340 1.00 0.00 C ATOM 512 NZ LYS A 33 3.562 -12.379 10.834 1.00 0.00 N ATOM 0 H LYS A 33 0.333 -11.309 4.398 1.00 0.00 H new ATOM 0 HA LYS A 33 0.485 -11.102 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.820 -13.312 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.061 -12.249 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.662 -12.290 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.633 -10.872 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.027 -11.880 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.065 -13.351 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.856 -13.606 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.965 -14.220 9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.765 -12.583 11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.428 -12.505 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.230 -11.398 10.742 1.00 0.00 H new ATOM 526 N ASP A 34 1.037 -8.947 5.793 1.00 0.00 N ATOM 527 CA ASP A 34 1.631 -7.685 5.270 1.00 0.00 C ATOM 528 C ASP A 34 1.734 -7.769 3.743 1.00 0.00 C ATOM 529 O ASP A 34 2.282 -6.897 3.114 1.00 0.00 O ATOM 530 CB ASP A 34 3.030 -7.498 5.870 1.00 0.00 C ATOM 531 CG ASP A 34 3.143 -6.099 6.479 1.00 0.00 C ATOM 532 OD1 ASP A 34 2.745 -5.937 7.620 1.00 0.00 O ATOM 533 OD2 ASP A 34 3.624 -5.213 5.792 1.00 0.00 O ATOM 0 H ASP A 34 0.059 -8.889 6.076 1.00 0.00 H new ATOM 0 HA ASP A 34 1.001 -6.839 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.214 -8.254 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.789 -7.633 5.099 1.00 0.00 H new ATOM 538 N VAL A 35 1.223 -8.814 3.137 1.00 0.00 N ATOM 539 CA VAL A 35 1.307 -8.938 1.661 1.00 0.00 C ATOM 540 C VAL A 35 0.729 -7.692 0.987 1.00 0.00 C ATOM 541 O VAL A 35 1.149 -7.342 -0.079 1.00 0.00 O ATOM 542 CB VAL A 35 0.528 -10.194 1.207 1.00 0.00 C ATOM 543 CG1 VAL A 35 -0.565 -9.844 0.178 1.00 0.00 C ATOM 544 CG2 VAL A 35 1.471 -11.150 0.531 1.00 0.00 C ATOM 0 H VAL A 35 0.751 -9.585 3.609 1.00 0.00 H new ATOM 0 HA VAL A 35 2.353 -9.033 1.370 1.00 0.00 H new ATOM 0 HB VAL A 35 0.072 -10.630 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.091 -10.752 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.272 -9.143 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.106 -9.389 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.923 -12.036 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.919 -10.666 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.256 -11.442 1.229 1.00 0.00 H new ATOM 554 N TYR A 36 -0.258 -7.055 1.562 1.00 0.00 N ATOM 555 CA TYR A 36 -0.858 -5.873 0.899 1.00 0.00 C ATOM 556 C TYR A 36 -0.031 -4.633 1.190 1.00 0.00 C ATOM 557 O TYR A 36 0.019 -3.711 0.404 1.00 0.00 O ATOM 558 CB TYR A 36 -2.265 -5.690 1.433 1.00 0.00 C ATOM 559 CG TYR A 36 -3.087 -6.846 0.965 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.391 -6.996 -0.395 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.505 -7.792 1.891 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.132 -8.107 -0.826 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.234 -8.903 1.468 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.551 -9.064 0.110 1.00 0.00 C ATOM 565 OH TYR A 36 -5.271 -10.165 -0.305 1.00 0.00 O ATOM 0 H TYR A 36 -0.670 -7.306 2.461 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.881 -6.025 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.257 -5.644 2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.689 -4.751 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.056 -6.259 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.266 -7.668 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.378 -8.224 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.556 -9.642 2.187 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.200 -10.254 -1.278 1.00 0.00 H new ATOM 575 N VAL A 37 0.618 -4.603 2.309 1.00 0.00 N ATOM 576 CA VAL A 37 1.446 -3.424 2.644 1.00 0.00 C ATOM 577 C VAL A 37 2.742 -3.492 1.817 1.00 0.00 C ATOM 578 O VAL A 37 3.282 -2.494 1.377 1.00 0.00 O ATOM 579 CB VAL A 37 1.738 -3.452 4.146 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.732 -2.343 4.500 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.425 -3.232 4.913 1.00 0.00 C ATOM 0 H VAL A 37 0.612 -5.345 3.009 1.00 0.00 H new ATOM 0 HA VAL A 37 0.933 -2.492 2.408 1.00 0.00 H new ATOM 0 HB VAL A 37 2.169 -4.415 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.937 -2.366 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.660 -2.497 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.308 -1.375 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.622 -3.250 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.001 -2.266 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.281 -4.023 4.661 1.00 0.00 H new ATOM 591 N GLN A 38 3.211 -4.679 1.554 1.00 0.00 N ATOM 592 CA GLN A 38 4.422 -4.844 0.719 1.00 0.00 C ATOM 593 C GLN A 38 3.962 -4.738 -0.730 1.00 0.00 C ATOM 594 O GLN A 38 4.465 -3.951 -1.505 1.00 0.00 O ATOM 595 CB GLN A 38 5.022 -6.230 0.984 1.00 0.00 C ATOM 596 CG GLN A 38 6.066 -6.561 -0.082 1.00 0.00 C ATOM 597 CD GLN A 38 7.465 -6.315 0.484 1.00 0.00 C ATOM 598 OE1 GLN A 38 8.228 -5.542 -0.060 1.00 0.00 O ATOM 599 NE2 GLN A 38 7.837 -6.947 1.564 1.00 0.00 N ATOM 0 H GLN A 38 2.798 -5.550 1.888 1.00 0.00 H new ATOM 0 HA GLN A 38 5.180 -4.092 0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.480 -6.254 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.234 -6.983 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.966 -7.600 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.906 -5.945 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.197 -7.596 2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.768 -6.792 1.951 1.00 0.00 H new ATOM 608 N LEU A 39 2.973 -5.518 -1.074 1.00 0.00 N ATOM 609 CA LEU A 39 2.406 -5.470 -2.463 1.00 0.00 C ATOM 610 C LEU A 39 2.305 -4.005 -2.858 1.00 0.00 C ATOM 611 O LEU A 39 2.744 -3.593 -3.912 1.00 0.00 O ATOM 612 CB LEU A 39 0.999 -6.120 -2.494 1.00 0.00 C ATOM 613 CG LEU A 39 1.098 -7.497 -3.127 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.165 -8.297 -2.814 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.222 -7.315 -4.636 1.00 0.00 C ATOM 0 H LEU A 39 2.527 -6.192 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 39 3.045 -6.019 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.600 -6.199 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.309 -5.495 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 39 1.963 -8.033 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.092 -9.285 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.271 -8.402 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.034 -7.776 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.295 -8.291 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.344 -6.790 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.116 -6.733 -4.860 1.00 0.00 H new ATOM 627 N TYR A 40 1.749 -3.216 -1.990 1.00 0.00 N ATOM 628 CA TYR A 40 1.621 -1.777 -2.253 1.00 0.00 C ATOM 629 C TYR A 40 2.999 -1.182 -2.566 1.00 0.00 C ATOM 630 O TYR A 40 3.193 -0.565 -3.586 1.00 0.00 O ATOM 631 CB TYR A 40 0.992 -1.149 -0.998 1.00 0.00 C ATOM 632 CG TYR A 40 1.875 -0.084 -0.369 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.338 1.010 -1.113 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.223 -0.202 0.975 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.142 1.981 -0.507 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.025 0.769 1.579 1.00 0.00 C ATOM 637 CZ TYR A 40 3.481 1.862 0.839 1.00 0.00 C ATOM 638 OH TYR A 40 4.274 2.819 1.437 1.00 0.00 O ATOM 0 H TYR A 40 1.372 -3.522 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 40 0.990 -1.576 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.030 -0.709 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.795 -1.931 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.074 1.103 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.872 -1.046 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.500 2.822 -1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.293 0.674 2.621 1.00 0.00 H new ATOM 0 HH TYR A 40 4.305 3.618 0.871 1.00 0.00 H new ATOM 648 N LEU A 41 3.958 -1.329 -1.697 1.00 0.00 N ATOM 649 CA LEU A 41 5.282 -0.719 -1.994 1.00 0.00 C ATOM 650 C LEU A 41 5.849 -1.296 -3.304 1.00 0.00 C ATOM 651 O LEU A 41 6.751 -0.739 -3.892 1.00 0.00 O ATOM 652 CB LEU A 41 6.260 -0.994 -0.841 1.00 0.00 C ATOM 653 CG LEU A 41 5.604 -0.653 0.507 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.111 -1.629 1.572 1.00 0.00 C ATOM 655 CD2 LEU A 41 5.961 0.781 0.924 1.00 0.00 C ATOM 0 H LEU A 41 3.887 -1.833 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 41 5.154 0.358 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.561 -2.042 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.165 -0.401 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 41 4.522 -0.735 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.650 -1.393 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.851 -2.648 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.194 -1.542 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.490 1.010 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.043 0.873 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.604 1.480 0.167 1.00 0.00 H new ATOM 667 N GLN A 42 5.343 -2.411 -3.764 1.00 0.00 N ATOM 668 CA GLN A 42 5.891 -3.018 -5.019 1.00 0.00 C ATOM 669 C GLN A 42 5.343 -2.325 -6.280 1.00 0.00 C ATOM 670 O GLN A 42 6.087 -1.734 -7.037 1.00 0.00 O ATOM 671 CB GLN A 42 5.534 -4.505 -5.058 1.00 0.00 C ATOM 672 CG GLN A 42 6.719 -5.303 -5.612 1.00 0.00 C ATOM 673 CD GLN A 42 7.250 -4.621 -6.875 1.00 0.00 C ATOM 674 OE1 GLN A 42 8.306 -4.021 -6.857 1.00 0.00 O ATOM 675 NE2 GLN A 42 6.559 -4.691 -7.980 1.00 0.00 N ATOM 0 H GLN A 42 4.578 -2.927 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 42 6.973 -2.886 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.283 -4.855 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.654 -4.662 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.508 -5.369 -4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.409 -6.323 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.672 -5.195 -7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.906 -4.242 -8.828 1.00 0.00 H new ATOM 684 N HIS A 43 4.063 -2.406 -6.527 1.00 0.00 N ATOM 685 CA HIS A 43 3.491 -1.768 -7.753 1.00 0.00 C ATOM 686 C HIS A 43 3.259 -0.294 -7.499 1.00 0.00 C ATOM 687 O HIS A 43 3.283 0.522 -8.399 1.00 0.00 O ATOM 688 CB HIS A 43 2.137 -2.393 -8.075 1.00 0.00 C ATOM 689 CG HIS A 43 2.149 -3.839 -7.702 1.00 0.00 C ATOM 690 ND1 HIS A 43 2.455 -4.844 -8.605 1.00 0.00 N ATOM 691 CD2 HIS A 43 1.888 -4.460 -6.517 1.00 0.00 C ATOM 692 CE1 HIS A 43 2.370 -6.013 -7.947 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.027 -5.835 -6.667 1.00 0.00 N ATOM 0 H HIS A 43 3.387 -2.886 -5.934 1.00 0.00 H new ATOM 0 HA HIS A 43 4.190 -1.914 -8.577 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.347 -1.874 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.918 -2.283 -9.137 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.700 -4.720 -9.587 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.614 -3.959 -5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.556 -6.977 -8.397 1.00 0.00 H new ATOM 701 N LEU A 44 3.008 0.047 -6.279 1.00 0.00 N ATOM 702 CA LEU A 44 2.741 1.463 -5.956 1.00 0.00 C ATOM 703 C LEU A 44 4.046 2.142 -5.510 1.00 0.00 C ATOM 704 O LEU A 44 4.164 3.351 -5.547 1.00 0.00 O ATOM 705 CB LEU A 44 1.673 1.547 -4.858 1.00 0.00 C ATOM 706 CG LEU A 44 0.316 0.908 -5.290 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.791 1.871 -4.946 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.226 0.691 -6.797 1.00 0.00 C ATOM 0 H LEU A 44 2.976 -0.595 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 44 2.367 1.982 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.038 1.045 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.510 2.592 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 44 0.236 -0.051 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.750 1.443 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.791 2.057 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.634 2.810 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.737 0.244 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.324 1.648 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.027 0.025 -7.117 1.00 0.00 H new ATOM 720 N THR A 45 5.046 1.380 -5.130 1.00 0.00 N ATOM 721 CA THR A 45 6.346 1.997 -4.740 1.00 0.00 C ATOM 722 C THR A 45 6.148 3.220 -3.852 1.00 0.00 C ATOM 723 O THR A 45 6.975 4.110 -3.838 1.00 0.00 O ATOM 724 CB THR A 45 7.057 2.442 -6.008 1.00 0.00 C ATOM 725 OG1 THR A 45 6.155 2.360 -7.104 1.00 0.00 O ATOM 726 CG2 THR A 45 8.254 1.530 -6.261 1.00 0.00 C ATOM 0 H THR A 45 5.014 0.362 -5.075 1.00 0.00 H new ATOM 0 HA THR A 45 6.925 1.259 -4.184 1.00 0.00 H new ATOM 0 HB THR A 45 7.401 3.470 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.609 2.648 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.767 1.846 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.941 1.589 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.910 0.502 -6.377 1.00 0.00 H new ATOM 734 N ALA A 46 5.076 3.293 -3.125 1.00 0.00 N ATOM 735 CA ALA A 46 4.865 4.490 -2.271 1.00 0.00 C ATOM 736 C ALA A 46 5.155 5.729 -3.112 1.00 0.00 C ATOM 737 O ALA A 46 5.974 6.553 -2.781 1.00 0.00 O ATOM 738 CB ALA A 46 5.803 4.458 -1.063 1.00 0.00 C ATOM 0 H ALA A 46 4.343 2.585 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 46 3.838 4.506 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.635 5.342 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.606 3.563 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.838 4.446 -1.406 1.00 0.00 H new ATOM 744 N ARG A 47 4.468 5.821 -4.204 1.00 0.00 N ATOM 745 CA ARG A 47 4.598 6.950 -5.173 1.00 0.00 C ATOM 746 C ARG A 47 5.352 8.178 -4.613 1.00 0.00 C ATOM 747 O ARG A 47 6.527 8.351 -4.873 1.00 0.00 O ATOM 748 CB ARG A 47 3.173 7.403 -5.529 1.00 0.00 C ATOM 749 CG ARG A 47 2.128 6.684 -4.641 1.00 0.00 C ATOM 750 CD ARG A 47 1.542 5.478 -5.398 1.00 0.00 C ATOM 751 NE ARG A 47 2.546 4.974 -6.368 1.00 0.00 N ATOM 752 CZ ARG A 47 2.175 4.226 -7.371 1.00 0.00 C ATOM 753 NH1 ARG A 47 0.947 3.786 -7.440 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.030 3.918 -8.307 1.00 0.00 N ATOM 0 H ARG A 47 3.780 5.122 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 47 5.173 6.586 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.087 8.482 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.971 7.192 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.593 6.352 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.331 7.376 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.270 4.690 -4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.630 5.769 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 47 3.530 5.213 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.277 4.027 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.658 3.201 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.989 4.262 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.740 3.333 -9.091 1.00 0.00 H new ATOM 768 N ASN A 48 4.693 9.062 -3.897 1.00 0.00 N ATOM 769 CA ASN A 48 5.407 10.292 -3.402 1.00 0.00 C ATOM 770 C ASN A 48 5.841 10.156 -1.939 1.00 0.00 C ATOM 771 O ASN A 48 5.666 11.068 -1.158 1.00 0.00 O ATOM 772 CB ASN A 48 4.497 11.529 -3.527 1.00 0.00 C ATOM 773 CG ASN A 48 3.099 11.123 -3.966 1.00 0.00 C ATOM 774 OD1 ASN A 48 2.136 11.347 -3.260 1.00 0.00 O ATOM 775 ND2 ASN A 48 2.948 10.529 -5.112 1.00 0.00 N ATOM 0 H ASN A 48 3.709 8.990 -3.636 1.00 0.00 H new ATOM 0 HA ASN A 48 6.296 10.409 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.447 12.048 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.922 12.228 -4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.018 10.249 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.760 10.343 -5.701 1.00 0.00 H new ATOM 782 N ARG A 49 6.453 9.061 -1.577 1.00 0.00 N ATOM 783 CA ARG A 49 6.943 8.889 -0.179 1.00 0.00 C ATOM 784 C ARG A 49 5.915 9.346 0.852 1.00 0.00 C ATOM 785 O ARG A 49 4.864 9.850 0.516 1.00 0.00 O ATOM 786 CB ARG A 49 8.176 9.749 0.001 1.00 0.00 C ATOM 787 CG ARG A 49 9.414 8.854 0.001 1.00 0.00 C ATOM 788 CD ARG A 49 10.681 9.705 -0.153 1.00 0.00 C ATOM 789 NE ARG A 49 10.465 11.049 0.457 1.00 0.00 N ATOM 790 CZ ARG A 49 11.308 12.018 0.225 1.00 0.00 C ATOM 791 NH1 ARG A 49 12.280 11.852 -0.633 1.00 0.00 N ATOM 792 NH2 ARG A 49 11.182 13.155 0.851 1.00 0.00 N ATOM 0 H ARG A 49 6.636 8.271 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 49 7.146 7.829 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.243 10.483 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.114 10.305 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.460 8.284 0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.350 8.132 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.524 9.209 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.933 9.811 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 49 9.656 11.211 1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.381 10.963 -1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.937 12.611 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.425 13.287 1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.841 13.913 0.670 1.00 0.00 H new ATOM 806 N PRO A 50 6.271 9.170 2.104 1.00 0.00 N ATOM 807 CA PRO A 50 5.420 9.588 3.211 1.00 0.00 C ATOM 808 C PRO A 50 5.657 11.070 3.532 1.00 0.00 C ATOM 809 O PRO A 50 6.685 11.617 3.185 1.00 0.00 O ATOM 810 CB PRO A 50 5.872 8.701 4.372 1.00 0.00 C ATOM 811 CG PRO A 50 7.313 8.244 4.035 1.00 0.00 C ATOM 812 CD PRO A 50 7.527 8.504 2.530 1.00 0.00 C ATOM 0 HA PRO A 50 4.356 9.486 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.849 9.251 5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.209 7.843 4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.042 8.796 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.447 7.187 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.396 9.138 2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.693 7.576 1.983 1.00 0.00 H new ATOM 820 N PRO A 51 4.698 11.674 4.187 1.00 0.00 N ATOM 821 CA PRO A 51 4.775 13.094 4.574 1.00 0.00 C ATOM 822 C PRO A 51 5.693 13.268 5.788 1.00 0.00 C ATOM 823 O PRO A 51 5.243 13.312 6.916 1.00 0.00 O ATOM 824 CB PRO A 51 3.330 13.450 4.928 1.00 0.00 C ATOM 825 CG PRO A 51 2.626 12.116 5.273 1.00 0.00 C ATOM 826 CD PRO A 51 3.450 10.999 4.605 1.00 0.00 C ATOM 0 HA PRO A 51 5.185 13.730 3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.295 14.138 5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.836 13.946 4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.579 11.970 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.600 12.113 4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.651 10.183 5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.923 10.570 3.752 1.00 0.00 H new ATOM 834 N LEU A 52 6.975 13.369 5.566 1.00 0.00 N ATOM 835 CA LEU A 52 7.917 13.541 6.709 1.00 0.00 C ATOM 836 C LEU A 52 8.589 14.915 6.614 1.00 0.00 C ATOM 837 O LEU A 52 8.704 15.472 5.540 1.00 0.00 O ATOM 838 CB LEU A 52 8.984 12.447 6.658 1.00 0.00 C ATOM 839 CG LEU A 52 8.538 11.258 7.513 1.00 0.00 C ATOM 840 CD1 LEU A 52 7.165 10.776 7.038 1.00 0.00 C ATOM 841 CD2 LEU A 52 9.553 10.120 7.372 1.00 0.00 C ATOM 0 H LEU A 52 7.411 13.340 4.644 1.00 0.00 H new ATOM 0 HA LEU A 52 7.367 13.469 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.144 12.128 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.935 12.835 7.023 1.00 0.00 H new ATOM 0 HG LEU A 52 8.476 11.564 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.846 9.929 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.442 11.585 7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.228 10.470 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.237 9.273 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.614 9.814 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.532 10.462 7.708 1.00 0.00 H new ATOM 853 N PRO A 53 9.016 15.420 7.745 1.00 0.00 N ATOM 854 CA PRO A 53 9.687 16.731 7.831 1.00 0.00 C ATOM 855 C PRO A 53 11.155 16.627 7.421 1.00 0.00 C ATOM 856 O PRO A 53 12.013 17.267 7.996 1.00 0.00 O ATOM 857 CB PRO A 53 9.569 17.097 9.311 1.00 0.00 C ATOM 858 CG PRO A 53 9.369 15.764 10.075 1.00 0.00 C ATOM 859 CD PRO A 53 8.860 14.736 9.047 1.00 0.00 C ATOM 0 HA PRO A 53 9.243 17.473 7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.465 17.612 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.729 17.771 9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.305 15.431 10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.652 15.887 10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.440 13.814 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.820 14.467 9.234 1.00 0.00 H new ATOM 867 N ALA A 54 11.456 15.846 6.425 1.00 0.00 N ATOM 868 CA ALA A 54 12.870 15.738 5.989 1.00 0.00 C ATOM 869 C ALA A 54 13.681 14.985 7.046 1.00 0.00 C ATOM 870 O ALA A 54 14.887 14.868 6.948 1.00 0.00 O ATOM 871 CB ALA A 54 13.425 17.150 5.821 1.00 0.00 C ATOM 0 H ALA A 54 10.789 15.282 5.898 1.00 0.00 H new ATOM 0 HA ALA A 54 12.934 15.193 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.465 17.096 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.841 17.684 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.365 17.680 6.772 1.00 0.00 H new ATOM 877 N GLY A 55 13.031 14.473 8.055 1.00 0.00 N ATOM 878 CA GLY A 55 13.771 13.729 9.117 1.00 0.00 C ATOM 879 C GLY A 55 12.794 13.313 10.223 1.00 0.00 C ATOM 880 O GLY A 55 11.616 13.607 10.160 1.00 0.00 O ATOM 0 H GLY A 55 12.022 14.537 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.252 12.848 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.561 14.355 9.531 1.00 0.00 H new ATOM 884 N THR A 56 13.265 12.634 11.237 1.00 0.00 N ATOM 885 CA THR A 56 12.351 12.209 12.335 1.00 0.00 C ATOM 886 C THR A 56 13.166 11.551 13.450 1.00 0.00 C ATOM 887 O THR A 56 12.916 11.864 14.603 1.00 0.00 O ATOM 888 CB THR A 56 11.330 11.207 11.789 1.00 0.00 C ATOM 889 OG1 THR A 56 10.797 10.447 12.865 1.00 0.00 O ATOM 890 CG2 THR A 56 12.015 10.271 10.788 1.00 0.00 C ATOM 891 OXT THR A 56 14.025 10.745 13.133 1.00 0.00 O ATOM 0 H THR A 56 14.240 12.357 11.351 1.00 0.00 H new ATOM 0 HA THR A 56 11.829 13.080 12.732 1.00 0.00 H new ATOM 0 HB THR A 56 10.524 11.743 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.142 9.805 12.519 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.288 9.558 10.400 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.425 10.856 9.965 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.821 9.732 11.286 1.00 0.00 H new TER 899 THR A 56