USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 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 59 HIS :FLIP no HD1:sc= -3.96! C(o=-10!,f=-8.5!) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -4.55! C(o=-8.5!,f=-9.9!) USER MOD Set 1.3: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= -0.869 USER MOD Set 2.2: A 91 GLN : amide:sc= 0 K(o=-0.87,f=-1.9) USER MOD Set 3.1: A 1 GLU N :NH3+ -137:sc= -0.883 (180deg=-2.67!) USER MOD Set 3.2: A 2 HIS : no HD1:sc= -4.91! C(o=-5.8!,f=-18!) USER MOD Single : A 7 LYS NZ :NH3+ -138:sc= -1.39 (180deg=-3.49!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.624 K(o=-0.62,f=-2.2) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0764) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 162:sc= -0.693 USER MOD Single : A 41 TYR OH : rot -30:sc= -0.424 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -1.48 (180deg=-3.12!) USER MOD Single : A 46 THR OG1 : rot -110:sc= 0.567 USER MOD Single : A 48 GLN : amide:sc= -8.87! C(o=-8.9!,f=-11!) USER MOD Single : A 51 ASN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.938 K(o=-0.94,f=-5.9!) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00163 USER MOD Single : A 64 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.24) USER MOD Single : A 66 CYS SG : rot 22:sc= -2.77 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 170:sc= -0.358 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 80 GLN : amide:sc= -0.688 K(o=-0.69,f=-4.6!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -7.28! C(o=-7.3!,f=-8.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-1.05) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.0845 X(o=-0.085,f=-0.08) USER MOD Single : A 128 ASN :FLIP amide:sc= -4.63! C(o=-5.5!,f=-4.6!) USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 106.344 -2.967 14.566 1.00 0.00 N ATOM 2 CA GLU A 1 106.239 -4.432 14.824 1.00 0.00 C ATOM 3 C GLU A 1 104.769 -4.850 14.799 1.00 0.00 C ATOM 4 O GLU A 1 104.133 -4.980 15.825 1.00 0.00 O ATOM 5 CB GLU A 1 106.837 -4.751 16.196 1.00 0.00 C ATOM 6 CG GLU A 1 108.101 -3.915 16.411 1.00 0.00 C ATOM 7 CD GLU A 1 108.997 -4.019 15.175 1.00 0.00 C ATOM 8 OE1 GLU A 1 109.418 -5.120 14.863 1.00 0.00 O ATOM 9 OE2 GLU A 1 109.247 -2.994 14.562 1.00 0.00 O ATOM 0 H1 GLU A 1 107.127 -2.786 13.906 1.00 0.00 H new ATOM 0 H2 GLU A 1 105.455 -2.623 14.151 1.00 0.00 H new ATOM 0 H3 GLU A 1 106.524 -2.469 15.461 1.00 0.00 H new ATOM 0 HA GLU A 1 106.784 -4.977 14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 1 106.110 -4.538 16.980 1.00 0.00 H new ATOM 0 HB3 GLU A 1 107.075 -5.813 16.262 1.00 0.00 H new ATOM 0 HG2 GLU A 1 107.835 -2.874 16.594 1.00 0.00 H new ATOM 0 HG3 GLU A 1 108.637 -4.267 17.293 1.00 0.00 H new ATOM 18 N HIS A 2 104.223 -5.063 13.632 1.00 0.00 N ATOM 19 CA HIS A 2 102.793 -5.474 13.543 1.00 0.00 C ATOM 20 C HIS A 2 102.608 -6.415 12.351 1.00 0.00 C ATOM 21 O HIS A 2 101.818 -6.160 11.464 1.00 0.00 O ATOM 22 CB HIS A 2 101.918 -4.233 13.355 1.00 0.00 C ATOM 23 CG HIS A 2 102.290 -3.197 14.379 1.00 0.00 C ATOM 24 ND1 HIS A 2 103.536 -2.586 14.395 1.00 0.00 N ATOM 25 CD2 HIS A 2 101.590 -2.654 15.430 1.00 0.00 C ATOM 26 CE1 HIS A 2 103.549 -1.719 15.426 1.00 0.00 C ATOM 27 NE2 HIS A 2 102.390 -1.723 16.084 1.00 0.00 N ATOM 0 H HIS A 2 104.705 -4.970 12.738 1.00 0.00 H new ATOM 0 HA HIS A 2 102.503 -5.987 14.460 1.00 0.00 H new ATOM 0 HB2 HIS A 2 102.050 -3.831 12.351 1.00 0.00 H new ATOM 0 HB3 HIS A 2 100.866 -4.498 13.456 1.00 0.00 H new ATOM 0 HD2 HIS A 2 100.577 -2.910 15.705 1.00 0.00 H new ATOM 0 HE1 HIS A 2 104.393 -1.098 15.687 1.00 0.00 H new ATOM 0 HE2 HIS A 2 102.141 -1.160 16.898 1.00 0.00 H new ATOM 35 N PRO A 3 103.335 -7.500 12.336 1.00 0.00 N ATOM 36 CA PRO A 3 103.259 -8.508 11.239 1.00 0.00 C ATOM 37 C PRO A 3 101.917 -9.247 11.228 1.00 0.00 C ATOM 38 O PRO A 3 101.846 -10.433 11.486 1.00 0.00 O ATOM 39 CB PRO A 3 104.406 -9.477 11.548 1.00 0.00 C ATOM 40 CG PRO A 3 104.680 -9.319 13.008 1.00 0.00 C ATOM 41 CD PRO A 3 104.308 -7.882 13.369 1.00 0.00 C ATOM 0 HA PRO A 3 103.340 -8.044 10.256 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.127 -10.504 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.290 -9.241 10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 3 104.094 -10.029 13.591 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.729 -9.515 13.229 1.00 0.00 H new ATOM 0 HD2 PRO A 3 103.876 -7.820 14.368 1.00 0.00 H new ATOM 0 HD3 PRO A 3 105.180 -7.228 13.358 1.00 0.00 H new ATOM 49 N GLU A 4 100.851 -8.554 10.934 1.00 0.00 N ATOM 50 CA GLU A 4 99.515 -9.215 10.908 1.00 0.00 C ATOM 51 C GLU A 4 99.305 -9.903 9.559 1.00 0.00 C ATOM 52 O GLU A 4 98.873 -11.037 9.490 1.00 0.00 O ATOM 53 CB GLU A 4 98.424 -8.164 11.122 1.00 0.00 C ATOM 54 CG GLU A 4 98.650 -7.456 12.459 1.00 0.00 C ATOM 55 CD GLU A 4 97.472 -6.528 12.752 1.00 0.00 C ATOM 56 OE1 GLU A 4 96.906 -6.003 11.806 1.00 0.00 O ATOM 57 OE2 GLU A 4 97.153 -6.356 13.917 1.00 0.00 O ATOM 0 H GLU A 4 100.847 -7.559 10.711 1.00 0.00 H new ATOM 0 HA GLU A 4 99.465 -9.960 11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.438 -7.439 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 4 97.442 -8.637 11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 98.755 -8.190 13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.577 -6.884 12.427 1.00 0.00 H new ATOM 64 N PHE A 5 99.604 -9.227 8.487 1.00 0.00 N ATOM 65 CA PHE A 5 99.418 -9.846 7.144 1.00 0.00 C ATOM 66 C PHE A 5 100.404 -11.004 6.977 1.00 0.00 C ATOM 67 O PHE A 5 100.230 -11.862 6.135 1.00 0.00 O ATOM 68 CB PHE A 5 99.664 -8.804 6.051 1.00 0.00 C ATOM 69 CG PHE A 5 99.056 -9.292 4.757 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.666 -9.338 4.611 1.00 0.00 C ATOM 71 CD2 PHE A 5 99.882 -9.708 3.707 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.102 -9.802 3.420 1.00 0.00 C ATOM 73 CE2 PHE A 5 99.317 -10.170 2.512 1.00 0.00 C ATOM 74 CZ PHE A 5 97.927 -10.217 2.369 1.00 0.00 C ATOM 0 H PHE A 5 99.969 -8.274 8.481 1.00 0.00 H new ATOM 0 HA PHE A 5 98.397 -10.219 7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.224 -7.849 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.734 -8.637 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.028 -9.014 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 5 100.956 -9.673 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.028 -9.840 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 5 99.955 -10.490 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.490 -10.573 1.448 1.00 0.00 H new ATOM 84 N LEU A 6 101.438 -11.036 7.773 1.00 0.00 N ATOM 85 CA LEU A 6 102.430 -12.140 7.657 1.00 0.00 C ATOM 86 C LEU A 6 101.856 -13.407 8.292 1.00 0.00 C ATOM 87 O LEU A 6 102.064 -14.504 7.813 1.00 0.00 O ATOM 88 CB LEU A 6 103.721 -11.746 8.376 1.00 0.00 C ATOM 89 CG LEU A 6 104.121 -10.326 7.972 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.572 -10.066 8.379 1.00 0.00 C ATOM 91 CD2 LEU A 6 103.980 -10.165 6.457 1.00 0.00 C ATOM 0 H LEU A 6 101.638 -10.346 8.497 1.00 0.00 H new ATOM 0 HA LEU A 6 102.646 -12.326 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 6 103.579 -11.801 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 6 104.518 -12.445 8.123 1.00 0.00 H new ATOM 0 HG LEU A 6 103.470 -9.611 8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.855 -9.054 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 6 105.672 -10.177 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.224 -10.782 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.265 -9.153 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 6 104.629 -10.881 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 6 102.945 -10.346 6.167 1.00 0.00 H new ATOM 103 N LYS A 7 101.135 -13.263 9.367 1.00 0.00 N ATOM 104 CA LYS A 7 100.543 -14.454 10.035 1.00 0.00 C ATOM 105 C LYS A 7 99.200 -14.784 9.384 1.00 0.00 C ATOM 106 O LYS A 7 98.658 -15.858 9.561 1.00 0.00 O ATOM 107 CB LYS A 7 100.333 -14.158 11.520 1.00 0.00 C ATOM 108 CG LYS A 7 101.651 -14.355 12.273 1.00 0.00 C ATOM 109 CD LYS A 7 101.647 -13.502 13.542 1.00 0.00 C ATOM 110 CE LYS A 7 100.528 -13.978 14.472 1.00 0.00 C ATOM 111 NZ LYS A 7 99.250 -13.314 14.089 1.00 0.00 N ATOM 0 H LYS A 7 100.929 -12.369 9.813 1.00 0.00 H new ATOM 0 HA LYS A 7 101.218 -15.303 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 99.977 -13.136 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 7 99.567 -14.817 11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 101.782 -15.406 12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 7 102.491 -14.075 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 7 102.610 -13.577 14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 7 101.501 -12.452 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 7 100.422 -15.061 14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 7 100.776 -13.744 15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 98.740 -13.021 14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 99.455 -12.478 13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 98.662 -13.979 13.547 1.00 0.00 H new ATOM 125 N ALA A 8 98.654 -13.865 8.634 1.00 0.00 N ATOM 126 CA ALA A 8 97.345 -14.121 7.970 1.00 0.00 C ATOM 127 C ALA A 8 97.316 -15.552 7.429 1.00 0.00 C ATOM 128 O ALA A 8 98.306 -16.062 6.941 1.00 0.00 O ATOM 129 CB ALA A 8 97.160 -13.134 6.815 1.00 0.00 C ATOM 0 H ALA A 8 99.059 -12.947 8.453 1.00 0.00 H new ATOM 0 HA ALA A 8 96.539 -13.992 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.203 -13.320 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.179 -12.115 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 8 97.966 -13.264 6.093 1.00 0.00 H new ATOM 135 N GLY A 9 96.189 -16.206 7.511 1.00 0.00 N ATOM 136 CA GLY A 9 96.093 -17.605 7.004 1.00 0.00 C ATOM 137 C GLY A 9 95.433 -18.487 8.065 1.00 0.00 C ATOM 138 O GLY A 9 95.857 -19.599 8.310 1.00 0.00 O ATOM 0 H GLY A 9 95.328 -15.830 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 9 95.512 -17.630 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.086 -17.986 6.765 1.00 0.00 H new ATOM 142 N LYS A 10 94.402 -18.000 8.697 1.00 0.00 N ATOM 143 CA LYS A 10 93.716 -18.808 9.741 1.00 0.00 C ATOM 144 C LYS A 10 92.204 -18.606 9.638 1.00 0.00 C ATOM 145 O LYS A 10 91.482 -18.750 10.605 1.00 0.00 O ATOM 146 CB LYS A 10 94.196 -18.363 11.124 1.00 0.00 C ATOM 147 CG LYS A 10 94.224 -16.833 11.190 1.00 0.00 C ATOM 148 CD LYS A 10 93.862 -16.370 12.604 1.00 0.00 C ATOM 149 CE LYS A 10 94.938 -16.839 13.586 1.00 0.00 C ATOM 150 NZ LYS A 10 94.463 -16.623 14.982 1.00 0.00 N ATOM 0 H LYS A 10 94.005 -17.075 8.534 1.00 0.00 H new ATOM 0 HA LYS A 10 93.950 -19.862 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 10 93.534 -18.758 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.190 -18.764 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 10 95.214 -16.466 10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 10 93.521 -16.415 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 10 93.778 -15.284 12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 10 92.891 -16.773 12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 10 95.158 -17.894 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 10 95.865 -16.290 13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 95.193 -16.941 15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 94.274 -15.611 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 93.590 -17.165 15.139 1.00 0.00 H new ATOM 164 N GLU A 11 91.716 -18.275 8.473 1.00 0.00 N ATOM 165 CA GLU A 11 90.251 -18.068 8.314 1.00 0.00 C ATOM 166 C GLU A 11 89.832 -18.458 6.891 1.00 0.00 C ATOM 167 O GLU A 11 90.408 -17.999 5.925 1.00 0.00 O ATOM 168 CB GLU A 11 89.917 -16.594 8.557 1.00 0.00 C ATOM 169 CG GLU A 11 90.233 -16.232 10.008 1.00 0.00 C ATOM 170 CD GLU A 11 89.457 -14.974 10.402 1.00 0.00 C ATOM 171 OE1 GLU A 11 89.906 -13.892 10.060 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.426 -15.113 11.040 1.00 0.00 O ATOM 0 H GLU A 11 92.269 -18.140 7.627 1.00 0.00 H new ATOM 0 HA GLU A 11 89.715 -18.687 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 11 90.493 -15.963 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 88.864 -16.409 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 89.965 -17.058 10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.303 -16.064 10.127 1.00 0.00 H new ATOM 179 N PRO A 12 88.836 -19.299 6.757 1.00 0.00 N ATOM 180 CA PRO A 12 88.342 -19.750 5.424 1.00 0.00 C ATOM 181 C PRO A 12 87.505 -18.676 4.721 1.00 0.00 C ATOM 182 O PRO A 12 86.291 -18.719 4.733 1.00 0.00 O ATOM 183 CB PRO A 12 87.480 -20.969 5.753 1.00 0.00 C ATOM 184 CG PRO A 12 86.997 -20.744 7.147 1.00 0.00 C ATOM 185 CD PRO A 12 88.070 -19.915 7.857 1.00 0.00 C ATOM 0 HA PRO A 12 89.162 -19.967 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 12 86.646 -21.060 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 12 88.058 -21.891 5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 12 86.041 -20.220 7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 12 86.839 -21.693 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 12 87.626 -19.160 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 12 88.706 -20.540 8.484 1.00 0.00 H new ATOM 193 N GLY A 13 88.142 -17.716 4.109 1.00 0.00 N ATOM 194 CA GLY A 13 87.380 -16.646 3.409 1.00 0.00 C ATOM 195 C GLY A 13 88.345 -15.566 2.923 1.00 0.00 C ATOM 196 O GLY A 13 88.985 -15.707 1.899 1.00 0.00 O ATOM 0 H GLY A 13 89.157 -17.627 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 13 86.834 -17.067 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 13 86.641 -16.212 4.082 1.00 0.00 H new ATOM 200 N LEU A 14 88.455 -14.487 3.647 1.00 0.00 N ATOM 201 CA LEU A 14 89.381 -13.399 3.223 1.00 0.00 C ATOM 202 C LEU A 14 89.671 -12.475 4.405 1.00 0.00 C ATOM 203 O LEU A 14 88.868 -12.330 5.307 1.00 0.00 O ATOM 204 CB LEU A 14 88.734 -12.596 2.091 1.00 0.00 C ATOM 205 CG LEU A 14 89.653 -11.433 1.690 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.654 -11.282 0.167 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.146 -10.135 2.325 1.00 0.00 C ATOM 0 H LEU A 14 87.945 -14.311 4.513 1.00 0.00 H new ATOM 0 HA LEU A 14 90.316 -13.836 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.553 -13.242 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.765 -12.213 2.412 1.00 0.00 H new ATOM 0 HG LEU A 14 90.665 -11.639 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.307 -10.456 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.015 -12.203 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.641 -11.079 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.799 -9.311 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.133 -9.932 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 14 89.144 -10.237 3.410 1.00 0.00 H new ATOM 219 N GLN A 15 90.815 -11.846 4.409 1.00 0.00 N ATOM 220 CA GLN A 15 91.163 -10.927 5.530 1.00 0.00 C ATOM 221 C GLN A 15 91.769 -9.642 4.963 1.00 0.00 C ATOM 222 O GLN A 15 92.518 -9.669 4.004 1.00 0.00 O ATOM 223 CB GLN A 15 92.176 -11.609 6.450 1.00 0.00 C ATOM 224 CG GLN A 15 91.549 -12.864 7.059 1.00 0.00 C ATOM 225 CD GLN A 15 92.354 -13.293 8.288 1.00 0.00 C ATOM 226 OE1 GLN A 15 92.286 -12.663 9.323 1.00 0.00 O ATOM 227 NE2 GLN A 15 93.117 -14.349 8.215 1.00 0.00 N ATOM 0 H GLN A 15 91.526 -11.929 3.682 1.00 0.00 H new ATOM 0 HA GLN A 15 90.264 -10.685 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.072 -11.873 5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.485 -10.924 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 15 90.514 -12.667 7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.532 -13.668 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.174 -14.878 7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 15 93.657 -14.645 9.028 1.00 0.00 H new ATOM 236 N ILE A 16 91.445 -8.515 5.542 1.00 0.00 N ATOM 237 CA ILE A 16 91.991 -7.223 5.031 1.00 0.00 C ATOM 238 C ILE A 16 92.922 -6.597 6.072 1.00 0.00 C ATOM 239 O ILE A 16 92.646 -6.604 7.255 1.00 0.00 O ATOM 240 CB ILE A 16 90.833 -6.265 4.745 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.936 -6.857 3.654 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.387 -4.918 4.273 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.513 -6.324 3.817 1.00 0.00 C ATOM 0 H ILE A 16 90.825 -8.434 6.348 1.00 0.00 H new ATOM 0 HA ILE A 16 92.554 -7.409 4.116 1.00 0.00 H new ATOM 0 HB ILE A 16 90.251 -6.120 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.323 -6.595 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.937 -7.945 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.561 -4.236 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.024 -4.495 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.970 -5.063 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.875 -6.746 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.128 -6.608 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.519 -5.237 3.731 1.00 0.00 H new ATOM 255 N TRP A 17 94.022 -6.045 5.633 1.00 0.00 N ATOM 256 CA TRP A 17 94.973 -5.406 6.586 1.00 0.00 C ATOM 257 C TRP A 17 95.562 -4.154 5.929 1.00 0.00 C ATOM 258 O TRP A 17 95.588 -4.032 4.721 1.00 0.00 O ATOM 259 CB TRP A 17 96.097 -6.391 6.919 1.00 0.00 C ATOM 260 CG TRP A 17 95.810 -7.074 8.219 1.00 0.00 C ATOM 261 CD1 TRP A 17 95.882 -6.487 9.437 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.415 -8.458 8.457 1.00 0.00 C ATOM 263 NE1 TRP A 17 95.559 -7.422 10.404 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.264 -8.651 9.850 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.177 -9.554 7.607 1.00 0.00 C ATOM 266 CZ2 TRP A 17 94.891 -9.888 10.381 1.00 0.00 C ATOM 267 CZ3 TRP A 17 94.802 -10.798 8.138 1.00 0.00 C ATOM 268 CH2 TRP A 17 94.660 -10.965 9.521 1.00 0.00 C ATOM 0 H TRP A 17 94.303 -6.010 4.653 1.00 0.00 H new ATOM 0 HA TRP A 17 94.454 -5.131 7.504 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.192 -7.130 6.123 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.049 -5.863 6.978 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.148 -5.457 9.623 1.00 0.00 H new ATOM 0 HE1 TRP A 17 95.541 -7.227 11.405 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.284 -9.437 6.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 94.782 -10.011 11.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 94.622 -11.632 7.476 1.00 0.00 H new ATOM 0 HH2 TRP A 17 94.372 -11.925 9.923 1.00 0.00 H new ATOM 279 N ARG A 18 96.033 -3.220 6.714 1.00 0.00 N ATOM 280 CA ARG A 18 96.615 -1.976 6.126 1.00 0.00 C ATOM 281 C ARG A 18 98.101 -1.888 6.478 1.00 0.00 C ATOM 282 O ARG A 18 98.505 -2.202 7.579 1.00 0.00 O ATOM 283 CB ARG A 18 95.882 -0.756 6.690 1.00 0.00 C ATOM 284 CG ARG A 18 96.685 0.509 6.384 1.00 0.00 C ATOM 285 CD ARG A 18 95.796 1.739 6.576 1.00 0.00 C ATOM 286 NE ARG A 18 96.645 2.923 6.885 1.00 0.00 N ATOM 287 CZ ARG A 18 96.219 4.124 6.600 1.00 0.00 C ATOM 288 NH1 ARG A 18 96.962 5.162 6.871 1.00 0.00 N ATOM 289 NH2 ARG A 18 95.049 4.288 6.046 1.00 0.00 N ATOM 0 H ARG A 18 96.040 -3.264 7.733 1.00 0.00 H new ATOM 0 HA ARG A 18 96.502 -2.000 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.887 -0.682 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.750 -0.864 7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.553 0.569 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 18 97.061 0.475 5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 18 95.212 1.923 5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 18 95.087 1.566 7.386 1.00 0.00 H new ATOM 0 HE ARG A 18 97.559 2.796 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 18 97.876 5.035 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 18 96.629 6.100 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 18 94.466 3.478 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 18 94.717 5.226 5.824 1.00 0.00 H new ATOM 303 N VAL A 19 98.918 -1.458 5.554 1.00 0.00 N ATOM 304 CA VAL A 19 100.376 -1.350 5.844 1.00 0.00 C ATOM 305 C VAL A 19 100.663 -0.005 6.510 1.00 0.00 C ATOM 306 O VAL A 19 100.231 1.033 6.049 1.00 0.00 O ATOM 307 CB VAL A 19 101.168 -1.447 4.541 1.00 0.00 C ATOM 308 CG1 VAL A 19 101.010 -0.148 3.749 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.649 -1.666 4.863 1.00 0.00 C ATOM 0 H VAL A 19 98.639 -1.178 4.614 1.00 0.00 H new ATOM 0 HA VAL A 19 100.672 -2.160 6.510 1.00 0.00 H new ATOM 0 HB VAL A 19 100.793 -2.282 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 19 101.575 -0.218 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.956 0.014 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 19 101.386 0.687 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 19 103.217 -1.736 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 19 103.021 -0.829 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.765 -2.590 5.430 1.00 0.00 H new ATOM 319 N GLU A 20 101.395 -0.011 7.588 1.00 0.00 N ATOM 320 CA GLU A 20 101.714 1.270 8.274 1.00 0.00 C ATOM 321 C GLU A 20 102.926 1.913 7.601 1.00 0.00 C ATOM 322 O GLU A 20 103.771 1.241 7.046 1.00 0.00 O ATOM 323 CB GLU A 20 102.029 1.001 9.746 1.00 0.00 C ATOM 324 CG GLU A 20 101.802 2.278 10.559 1.00 0.00 C ATOM 325 CD GLU A 20 101.958 1.970 12.049 1.00 0.00 C ATOM 326 OE1 GLU A 20 100.987 1.537 12.648 1.00 0.00 O ATOM 327 OE2 GLU A 20 103.043 2.174 12.566 1.00 0.00 O ATOM 0 H GLU A 20 101.786 -0.847 8.023 1.00 0.00 H new ATOM 0 HA GLU A 20 100.858 1.942 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.395 0.199 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 20 103.061 0.668 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 20 102.516 3.045 10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.806 2.675 10.361 1.00 0.00 H new ATOM 334 N LYS A 21 103.014 3.213 7.641 1.00 0.00 N ATOM 335 CA LYS A 21 104.167 3.907 7.002 1.00 0.00 C ATOM 336 C LYS A 21 105.472 3.193 7.365 1.00 0.00 C ATOM 337 O LYS A 21 106.513 3.464 6.801 1.00 0.00 O ATOM 338 CB LYS A 21 104.224 5.355 7.492 1.00 0.00 C ATOM 339 CG LYS A 21 105.346 6.098 6.764 1.00 0.00 C ATOM 340 CD LYS A 21 105.064 7.601 6.783 1.00 0.00 C ATOM 341 CE LYS A 21 104.177 7.970 5.591 1.00 0.00 C ATOM 342 NZ LYS A 21 105.008 8.037 4.356 1.00 0.00 N ATOM 0 H LYS A 21 102.335 3.827 8.090 1.00 0.00 H new ATOM 0 HA LYS A 21 104.040 3.891 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 21 103.269 5.849 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 104.396 5.379 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 21 106.303 5.891 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 21 105.422 5.745 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 104.572 7.878 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 21 106.000 8.158 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 103.386 7.230 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 21 103.692 8.930 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 104.478 8.526 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 105.885 8.559 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 105.242 7.073 4.042 1.00 0.00 H new ATOM 356 N PHE A 22 105.433 2.286 8.305 1.00 0.00 N ATOM 357 CA PHE A 22 106.681 1.570 8.691 1.00 0.00 C ATOM 358 C PHE A 22 106.337 0.299 9.474 1.00 0.00 C ATOM 359 O PHE A 22 107.157 -0.232 10.195 1.00 0.00 O ATOM 360 CB PHE A 22 107.542 2.487 9.565 1.00 0.00 C ATOM 361 CG PHE A 22 108.390 3.373 8.685 1.00 0.00 C ATOM 362 CD1 PHE A 22 109.448 2.823 7.951 1.00 0.00 C ATOM 363 CD2 PHE A 22 108.119 4.744 8.603 1.00 0.00 C ATOM 364 CE1 PHE A 22 110.235 3.646 7.134 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.904 5.565 7.787 1.00 0.00 C ATOM 366 CZ PHE A 22 109.963 5.016 7.054 1.00 0.00 C ATOM 0 H PHE A 22 104.596 2.012 8.819 1.00 0.00 H new ATOM 0 HA PHE A 22 107.229 1.296 7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.906 3.096 10.207 1.00 0.00 H new ATOM 0 HB3 PHE A 22 108.178 1.891 10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 22 109.657 1.765 8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 22 107.303 5.168 9.170 1.00 0.00 H new ATOM 0 HE1 PHE A 22 111.051 3.223 6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.693 6.622 7.722 1.00 0.00 H new ATOM 0 HZ PHE A 22 110.571 5.651 6.426 1.00 0.00 H new ATOM 376 N ASP A 23 105.136 -0.196 9.336 1.00 0.00 N ATOM 377 CA ASP A 23 104.757 -1.435 10.076 1.00 0.00 C ATOM 378 C ASP A 23 103.452 -1.996 9.500 1.00 0.00 C ATOM 379 O ASP A 23 103.390 -2.391 8.353 1.00 0.00 O ATOM 380 CB ASP A 23 104.565 -1.112 11.561 1.00 0.00 C ATOM 381 CG ASP A 23 105.929 -1.042 12.249 1.00 0.00 C ATOM 382 OD1 ASP A 23 106.724 -1.943 12.041 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.156 -0.086 12.974 1.00 0.00 O ATOM 0 H ASP A 23 104.405 0.201 8.746 1.00 0.00 H new ATOM 0 HA ASP A 23 105.550 -2.176 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.041 -0.163 11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.947 -1.875 12.033 1.00 0.00 H new ATOM 388 N LEU A 24 102.412 -2.037 10.288 1.00 0.00 N ATOM 389 CA LEU A 24 101.119 -2.577 9.784 1.00 0.00 C ATOM 390 C LEU A 24 99.974 -2.037 10.647 1.00 0.00 C ATOM 391 O LEU A 24 100.079 -1.963 11.855 1.00 0.00 O ATOM 392 CB LEU A 24 101.148 -4.110 9.858 1.00 0.00 C ATOM 393 CG LEU A 24 100.619 -4.713 8.552 1.00 0.00 C ATOM 394 CD1 LEU A 24 101.059 -6.175 8.453 1.00 0.00 C ATOM 395 CD2 LEU A 24 99.089 -4.639 8.538 1.00 0.00 C ATOM 0 H LEU A 24 102.403 -1.720 11.258 1.00 0.00 H new ATOM 0 HA LEU A 24 100.967 -2.268 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.166 -4.453 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.542 -4.452 10.697 1.00 0.00 H new ATOM 0 HG LEU A 24 101.017 -4.154 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.684 -6.606 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 102.148 -6.229 8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 24 100.660 -6.733 9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 24 98.712 -5.068 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.690 -5.199 9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.774 -3.598 8.611 1.00 0.00 H new ATOM 407 N VAL A 25 98.882 -1.663 10.036 1.00 0.00 N ATOM 408 CA VAL A 25 97.729 -1.132 10.818 1.00 0.00 C ATOM 409 C VAL A 25 96.504 -2.023 10.582 1.00 0.00 C ATOM 410 O VAL A 25 96.186 -2.358 9.459 1.00 0.00 O ATOM 411 CB VAL A 25 97.417 0.293 10.355 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.654 1.034 11.454 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.726 1.030 10.062 1.00 0.00 C ATOM 0 H VAL A 25 98.739 -1.703 9.027 1.00 0.00 H new ATOM 0 HA VAL A 25 97.977 -1.125 11.879 1.00 0.00 H new ATOM 0 HB VAL A 25 96.807 0.255 9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.433 2.049 11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.722 0.510 11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 25 97.263 1.072 12.357 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.506 2.045 9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.334 1.066 10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.272 0.504 9.279 1.00 0.00 H new ATOM 423 N PRO A 26 95.819 -2.408 11.631 1.00 0.00 N ATOM 424 CA PRO A 26 94.612 -3.277 11.523 1.00 0.00 C ATOM 425 C PRO A 26 93.394 -2.518 10.987 1.00 0.00 C ATOM 426 O PRO A 26 93.122 -1.401 11.383 1.00 0.00 O ATOM 427 CB PRO A 26 94.365 -3.737 12.959 1.00 0.00 C ATOM 428 CG PRO A 26 94.956 -2.672 13.821 1.00 0.00 C ATOM 429 CD PRO A 26 96.116 -2.061 13.032 1.00 0.00 C ATOM 0 HA PRO A 26 94.768 -4.098 10.823 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.300 -3.856 13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.834 -4.702 13.149 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.212 -1.914 14.064 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.307 -3.089 14.765 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.169 -0.981 13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.074 -2.471 13.350 1.00 0.00 H new ATOM 437 N VAL A 27 92.657 -3.117 10.092 1.00 0.00 N ATOM 438 CA VAL A 27 91.456 -2.434 9.533 1.00 0.00 C ATOM 439 C VAL A 27 90.206 -2.919 10.279 1.00 0.00 C ATOM 440 O VAL A 27 89.818 -4.064 10.158 1.00 0.00 O ATOM 441 CB VAL A 27 91.326 -2.775 8.048 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.044 -2.153 7.492 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.532 -2.218 7.290 1.00 0.00 C ATOM 0 H VAL A 27 92.835 -4.051 9.723 1.00 0.00 H new ATOM 0 HA VAL A 27 91.558 -1.355 9.652 1.00 0.00 H new ATOM 0 HB VAL A 27 91.287 -3.857 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.951 -2.396 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.184 -2.549 8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.082 -1.071 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.440 -2.461 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.570 -1.136 7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.446 -2.660 7.686 1.00 0.00 H new ATOM 453 N PRO A 28 89.579 -2.061 11.044 1.00 0.00 N ATOM 454 CA PRO A 28 88.355 -2.425 11.814 1.00 0.00 C ATOM 455 C PRO A 28 87.353 -3.211 10.965 1.00 0.00 C ATOM 456 O PRO A 28 86.982 -2.799 9.883 1.00 0.00 O ATOM 457 CB PRO A 28 87.770 -1.074 12.223 1.00 0.00 C ATOM 458 CG PRO A 28 88.934 -0.141 12.276 1.00 0.00 C ATOM 459 CD PRO A 28 89.959 -0.653 11.261 1.00 0.00 C ATOM 0 HA PRO A 28 88.583 -3.073 12.660 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.025 -0.734 11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.272 -1.138 13.191 1.00 0.00 H new ATOM 0 HG2 PRO A 28 88.625 0.876 12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.362 -0.114 13.278 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.920 -0.082 10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.976 -0.569 11.645 1.00 0.00 H new ATOM 467 N THR A 29 86.912 -4.342 11.444 1.00 0.00 N ATOM 468 CA THR A 29 85.939 -5.153 10.664 1.00 0.00 C ATOM 469 C THR A 29 84.576 -4.460 10.671 1.00 0.00 C ATOM 470 O THR A 29 83.673 -4.837 9.951 1.00 0.00 O ATOM 471 CB THR A 29 85.813 -6.543 11.293 1.00 0.00 C ATOM 472 OG1 THR A 29 86.020 -6.445 12.696 1.00 0.00 O ATOM 473 CG2 THR A 29 86.860 -7.478 10.686 1.00 0.00 C ATOM 0 H THR A 29 87.185 -4.739 12.343 1.00 0.00 H new ATOM 0 HA THR A 29 86.288 -5.252 9.636 1.00 0.00 H new ATOM 0 HB THR A 29 84.818 -6.942 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 29 85.938 -7.333 13.102 1.00 0.00 H new ATOM 0 HG21 THR A 29 86.769 -8.467 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 29 86.702 -7.552 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 29 87.857 -7.082 10.880 1.00 0.00 H new ATOM 481 N ASN A 30 84.420 -3.448 11.477 1.00 0.00 N ATOM 482 CA ASN A 30 83.118 -2.730 11.524 1.00 0.00 C ATOM 483 C ASN A 30 83.145 -1.578 10.519 1.00 0.00 C ATOM 484 O ASN A 30 82.171 -0.874 10.338 1.00 0.00 O ATOM 485 CB ASN A 30 82.888 -2.176 12.932 1.00 0.00 C ATOM 486 CG ASN A 30 81.394 -1.924 13.146 1.00 0.00 C ATOM 487 OD1 ASN A 30 80.895 -0.861 12.836 1.00 0.00 O ATOM 488 ND2 ASN A 30 80.655 -2.867 13.665 1.00 0.00 N ATOM 0 H ASN A 30 85.138 -3.087 12.105 1.00 0.00 H new ATOM 0 HA ASN A 30 82.311 -3.418 11.273 1.00 0.00 H new ATOM 0 HB2 ASN A 30 83.259 -2.881 13.676 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.446 -1.249 13.065 1.00 0.00 H new ATOM 0 HD21 ASN A 30 79.657 -2.711 13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 30 81.075 -3.759 13.925 1.00 0.00 H new ATOM 495 N LEU A 31 84.259 -1.377 9.865 1.00 0.00 N ATOM 496 CA LEU A 31 84.354 -0.270 8.874 1.00 0.00 C ATOM 497 C LEU A 31 85.076 -0.761 7.615 1.00 0.00 C ATOM 498 O LEU A 31 85.236 -0.029 6.658 1.00 0.00 O ATOM 499 CB LEU A 31 85.139 0.897 9.482 1.00 0.00 C ATOM 500 CG LEU A 31 84.468 1.353 10.778 1.00 0.00 C ATOM 501 CD1 LEU A 31 85.413 2.284 11.542 1.00 0.00 C ATOM 502 CD2 LEU A 31 83.174 2.103 10.450 1.00 0.00 C ATOM 0 H LEU A 31 85.107 -1.933 9.976 1.00 0.00 H new ATOM 0 HA LEU A 31 83.349 0.060 8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.166 0.592 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.184 1.725 8.774 1.00 0.00 H new ATOM 0 HG LEU A 31 84.238 0.482 11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 84.935 2.609 12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 31 86.335 1.753 11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 31 85.643 3.154 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 31 82.697 2.427 11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 83.404 2.974 9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 31 82.499 1.443 9.906 1.00 0.00 H new ATOM 514 N TYR A 32 85.514 -1.990 7.606 1.00 0.00 N ATOM 515 CA TYR A 32 86.226 -2.514 6.406 1.00 0.00 C ATOM 516 C TYR A 32 85.397 -2.223 5.152 1.00 0.00 C ATOM 517 O TYR A 32 84.198 -2.423 5.128 1.00 0.00 O ATOM 518 CB TYR A 32 86.437 -4.025 6.555 1.00 0.00 C ATOM 519 CG TYR A 32 85.248 -4.771 5.991 1.00 0.00 C ATOM 520 CD1 TYR A 32 84.075 -4.888 6.743 1.00 0.00 C ATOM 521 CD2 TYR A 32 85.323 -5.342 4.715 1.00 0.00 C ATOM 522 CE1 TYR A 32 82.974 -5.579 6.221 1.00 0.00 C ATOM 523 CE2 TYR A 32 84.223 -6.033 4.191 1.00 0.00 C ATOM 524 CZ TYR A 32 83.049 -6.151 4.944 1.00 0.00 C ATOM 525 OH TYR A 32 81.964 -6.833 4.429 1.00 0.00 O ATOM 0 H TYR A 32 85.410 -2.652 8.375 1.00 0.00 H new ATOM 0 HA TYR A 32 87.196 -2.025 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.346 -4.327 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 32 86.572 -4.280 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 32 84.018 -4.446 7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 32 86.229 -5.250 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.068 -5.671 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 32 84.281 -6.474 3.207 1.00 0.00 H new ATOM 0 HH TYR A 32 82.182 -7.166 3.533 1.00 0.00 H new ATOM 535 N GLY A 33 86.025 -1.754 4.109 1.00 0.00 N ATOM 536 CA GLY A 33 85.274 -1.450 2.856 1.00 0.00 C ATOM 537 C GLY A 33 85.736 -0.104 2.300 1.00 0.00 C ATOM 538 O GLY A 33 85.640 0.156 1.117 1.00 0.00 O ATOM 0 H GLY A 33 87.027 -1.568 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.440 -2.236 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.203 -1.424 3.058 1.00 0.00 H new ATOM 542 N ASP A 34 86.237 0.757 3.144 1.00 0.00 N ATOM 543 CA ASP A 34 86.706 2.088 2.663 1.00 0.00 C ATOM 544 C ASP A 34 88.230 2.073 2.530 1.00 0.00 C ATOM 545 O ASP A 34 88.947 2.118 3.510 1.00 0.00 O ATOM 546 CB ASP A 34 86.292 3.166 3.667 1.00 0.00 C ATOM 547 CG ASP A 34 86.437 2.622 5.088 1.00 0.00 C ATOM 548 OD1 ASP A 34 87.534 2.221 5.438 1.00 0.00 O ATOM 549 OD2 ASP A 34 85.450 2.616 5.804 1.00 0.00 O ATOM 0 H ASP A 34 86.342 0.596 4.146 1.00 0.00 H new ATOM 0 HA ASP A 34 86.259 2.303 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.913 4.053 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 34 85.261 3.470 3.486 1.00 0.00 H new ATOM 554 N PHE A 35 88.730 2.009 1.328 1.00 0.00 N ATOM 555 CA PHE A 35 90.207 1.992 1.135 1.00 0.00 C ATOM 556 C PHE A 35 90.699 3.408 0.834 1.00 0.00 C ATOM 557 O PHE A 35 90.018 4.192 0.204 1.00 0.00 O ATOM 558 CB PHE A 35 90.558 1.069 -0.034 1.00 0.00 C ATOM 559 CG PHE A 35 90.308 -0.366 0.365 1.00 0.00 C ATOM 560 CD1 PHE A 35 91.386 -1.205 0.671 1.00 0.00 C ATOM 561 CD2 PHE A 35 88.998 -0.856 0.431 1.00 0.00 C ATOM 562 CE1 PHE A 35 91.153 -2.535 1.042 1.00 0.00 C ATOM 563 CE2 PHE A 35 88.766 -2.186 0.802 1.00 0.00 C ATOM 564 CZ PHE A 35 89.844 -3.025 1.108 1.00 0.00 C ATOM 0 H PHE A 35 88.180 1.968 0.470 1.00 0.00 H new ATOM 0 HA PHE A 35 90.688 1.627 2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.957 1.325 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.602 1.203 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 35 92.396 -0.827 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 35 88.167 -0.208 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 35 91.984 -3.183 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 35 87.756 -2.564 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.665 -4.051 1.395 1.00 0.00 H new ATOM 574 N PHE A 36 91.879 3.743 1.279 1.00 0.00 N ATOM 575 CA PHE A 36 92.415 5.109 1.017 1.00 0.00 C ATOM 576 C PHE A 36 93.286 5.085 -0.239 1.00 0.00 C ATOM 577 O PHE A 36 94.185 4.276 -0.367 1.00 0.00 O ATOM 578 CB PHE A 36 93.256 5.565 2.212 1.00 0.00 C ATOM 579 CG PHE A 36 92.354 6.156 3.268 1.00 0.00 C ATOM 580 CD1 PHE A 36 92.299 7.544 3.445 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.571 5.318 4.071 1.00 0.00 C ATOM 582 CE1 PHE A 36 91.462 8.093 4.424 1.00 0.00 C ATOM 583 CE2 PHE A 36 90.733 5.866 5.050 1.00 0.00 C ATOM 584 CZ PHE A 36 90.680 7.255 5.226 1.00 0.00 C ATOM 0 H PHE A 36 92.495 3.130 1.813 1.00 0.00 H new ATOM 0 HA PHE A 36 91.586 5.801 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.810 4.721 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.991 6.304 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 36 92.903 8.191 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 36 91.613 4.247 3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 36 91.420 9.164 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 36 90.129 5.219 5.668 1.00 0.00 H new ATOM 0 HZ PHE A 36 90.035 7.679 5.981 1.00 0.00 H new ATOM 594 N THR A 37 93.030 5.966 -1.166 1.00 0.00 N ATOM 595 CA THR A 37 93.845 5.993 -2.412 1.00 0.00 C ATOM 596 C THR A 37 95.238 6.541 -2.097 1.00 0.00 C ATOM 597 O THR A 37 96.109 6.577 -2.945 1.00 0.00 O ATOM 598 CB THR A 37 93.163 6.892 -3.446 1.00 0.00 C ATOM 599 OG1 THR A 37 93.223 8.243 -3.009 1.00 0.00 O ATOM 600 CG2 THR A 37 91.702 6.470 -3.608 1.00 0.00 C ATOM 0 H THR A 37 92.292 6.668 -1.114 1.00 0.00 H new ATOM 0 HA THR A 37 93.935 4.983 -2.812 1.00 0.00 H new ATOM 0 HB THR A 37 93.674 6.797 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.058 8.840 -3.768 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.218 7.111 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.658 5.434 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.188 6.564 -2.651 1.00 0.00 H new ATOM 608 N GLY A 38 95.457 6.970 -0.884 1.00 0.00 N ATOM 609 CA GLY A 38 96.796 7.517 -0.512 1.00 0.00 C ATOM 610 C GLY A 38 97.501 6.542 0.433 1.00 0.00 C ATOM 611 O GLY A 38 98.173 6.941 1.362 1.00 0.00 O ATOM 0 H GLY A 38 94.767 6.966 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.399 7.672 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.683 8.489 -0.031 1.00 0.00 H new ATOM 615 N ASP A 39 97.355 5.267 0.201 1.00 0.00 N ATOM 616 CA ASP A 39 98.019 4.267 1.086 1.00 0.00 C ATOM 617 C ASP A 39 98.042 2.905 0.389 1.00 0.00 C ATOM 618 O ASP A 39 97.744 2.791 -0.784 1.00 0.00 O ATOM 619 CB ASP A 39 97.245 4.155 2.400 1.00 0.00 C ATOM 620 CG ASP A 39 97.546 5.372 3.278 1.00 0.00 C ATOM 621 OD1 ASP A 39 96.631 6.139 3.530 1.00 0.00 O ATOM 622 OD2 ASP A 39 98.688 5.516 3.682 1.00 0.00 O ATOM 0 H ASP A 39 96.805 4.874 -0.563 1.00 0.00 H new ATOM 0 HA ASP A 39 99.040 4.586 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.175 4.094 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.524 3.240 2.922 1.00 0.00 H new ATOM 627 N ALA A 40 98.394 1.869 1.102 1.00 0.00 N ATOM 628 CA ALA A 40 98.435 0.515 0.481 1.00 0.00 C ATOM 629 C ALA A 40 97.814 -0.504 1.441 1.00 0.00 C ATOM 630 O ALA A 40 98.045 -0.470 2.634 1.00 0.00 O ATOM 631 CB ALA A 40 99.890 0.131 0.193 1.00 0.00 C ATOM 0 H ALA A 40 98.655 1.902 2.088 1.00 0.00 H new ATOM 0 HA ALA A 40 97.872 0.523 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.922 -0.859 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.330 0.858 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.455 0.121 1.125 1.00 0.00 H new ATOM 637 N TYR A 41 97.026 -1.411 0.927 1.00 0.00 N ATOM 638 CA TYR A 41 96.387 -2.432 1.808 1.00 0.00 C ATOM 639 C TYR A 41 96.702 -3.831 1.280 1.00 0.00 C ATOM 640 O TYR A 41 96.678 -4.078 0.091 1.00 0.00 O ATOM 641 CB TYR A 41 94.872 -2.221 1.816 1.00 0.00 C ATOM 642 CG TYR A 41 94.550 -0.865 2.397 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.004 -0.767 3.683 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.798 0.294 1.651 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.706 0.491 4.222 1.00 0.00 C ATOM 646 CE2 TYR A 41 94.499 1.550 2.191 1.00 0.00 C ATOM 647 CZ TYR A 41 93.953 1.649 3.475 1.00 0.00 C ATOM 648 OH TYR A 41 93.658 2.888 4.008 1.00 0.00 O ATOM 0 H TYR A 41 96.797 -1.489 -0.064 1.00 0.00 H new ATOM 0 HA TYR A 41 96.775 -2.330 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.479 -2.295 0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.389 -3.003 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 41 93.813 -1.661 4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.220 0.219 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 41 93.286 0.568 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 41 94.690 2.444 1.616 1.00 0.00 H new ATOM 0 HH TYR A 41 92.901 2.807 4.625 1.00 0.00 H new ATOM 658 N VAL A 42 96.992 -4.756 2.158 1.00 0.00 N ATOM 659 CA VAL A 42 97.303 -6.138 1.710 1.00 0.00 C ATOM 660 C VAL A 42 96.114 -7.038 2.033 1.00 0.00 C ATOM 661 O VAL A 42 95.534 -6.949 3.098 1.00 0.00 O ATOM 662 CB VAL A 42 98.522 -6.649 2.464 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.434 -7.420 1.507 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.290 -5.468 3.062 1.00 0.00 C ATOM 0 H VAL A 42 97.026 -4.610 3.167 1.00 0.00 H new ATOM 0 HA VAL A 42 97.502 -6.143 0.638 1.00 0.00 H new ATOM 0 HB VAL A 42 98.196 -7.312 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.306 -7.785 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.889 -8.265 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.758 -6.760 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.162 -5.837 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.613 -4.802 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.642 -4.923 3.749 1.00 0.00 H new ATOM 674 N ILE A 43 95.738 -7.898 1.127 1.00 0.00 N ATOM 675 CA ILE A 43 94.577 -8.786 1.397 1.00 0.00 C ATOM 676 C ILE A 43 94.955 -10.248 1.147 1.00 0.00 C ATOM 677 O ILE A 43 95.609 -10.576 0.179 1.00 0.00 O ATOM 678 CB ILE A 43 93.413 -8.393 0.486 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.638 -6.980 -0.066 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.123 -8.416 1.295 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.732 -5.977 1.088 1.00 0.00 C ATOM 0 H ILE A 43 96.182 -8.023 0.217 1.00 0.00 H new ATOM 0 HA ILE A 43 94.281 -8.674 2.440 1.00 0.00 H new ATOM 0 HB ILE A 43 93.347 -9.096 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.553 -6.953 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.820 -6.706 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.287 -8.137 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 43 91.959 -9.419 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.199 -7.709 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.892 -4.976 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.805 -5.995 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.566 -6.246 1.737 1.00 0.00 H new ATOM 693 N LEU A 44 94.539 -11.124 2.024 1.00 0.00 N ATOM 694 CA LEU A 44 94.862 -12.569 1.857 1.00 0.00 C ATOM 695 C LEU A 44 93.564 -13.363 1.697 1.00 0.00 C ATOM 696 O LEU A 44 92.738 -13.406 2.589 1.00 0.00 O ATOM 697 CB LEU A 44 95.617 -13.065 3.093 1.00 0.00 C ATOM 698 CG LEU A 44 96.161 -14.474 2.837 1.00 0.00 C ATOM 699 CD1 LEU A 44 97.222 -14.810 3.887 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.021 -15.495 2.919 1.00 0.00 C ATOM 0 H LEU A 44 93.987 -10.898 2.852 1.00 0.00 H new ATOM 0 HA LEU A 44 95.483 -12.707 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.437 -12.386 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 44 94.953 -13.073 3.957 1.00 0.00 H new ATOM 0 HG LEU A 44 96.606 -14.511 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 44 97.609 -15.813 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.037 -14.089 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 44 96.776 -14.768 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 44 95.414 -16.495 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 44 94.570 -15.458 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.267 -15.259 2.169 1.00 0.00 H new ATOM 712 N LYS A 45 93.375 -13.992 0.569 1.00 0.00 N ATOM 713 CA LYS A 45 92.128 -14.779 0.355 1.00 0.00 C ATOM 714 C LYS A 45 92.407 -16.261 0.615 1.00 0.00 C ATOM 715 O LYS A 45 93.211 -16.879 -0.055 1.00 0.00 O ATOM 716 CB LYS A 45 91.645 -14.597 -1.086 1.00 0.00 C ATOM 717 CG LYS A 45 90.233 -15.168 -1.226 1.00 0.00 C ATOM 718 CD LYS A 45 89.680 -14.842 -2.616 1.00 0.00 C ATOM 719 CE LYS A 45 90.046 -15.962 -3.592 1.00 0.00 C ATOM 720 NZ LYS A 45 91.523 -15.988 -3.791 1.00 0.00 N ATOM 0 H LYS A 45 94.030 -13.995 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 45 91.358 -14.427 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.649 -13.540 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.323 -15.101 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.250 -16.247 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 45 89.583 -14.749 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 45 88.597 -14.727 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.087 -13.894 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 89.704 -16.922 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 45 89.543 -15.806 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 91.744 -16.461 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 91.888 -15.014 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 91.970 -16.507 -3.008 1.00 0.00 H new ATOM 734 N THR A 46 91.745 -16.836 1.584 1.00 0.00 N ATOM 735 CA THR A 46 91.965 -18.280 1.890 1.00 0.00 C ATOM 736 C THR A 46 90.654 -19.042 1.690 1.00 0.00 C ATOM 737 O THR A 46 89.613 -18.634 2.168 1.00 0.00 O ATOM 738 CB THR A 46 92.426 -18.429 3.343 1.00 0.00 C ATOM 739 OG1 THR A 46 93.773 -17.996 3.456 1.00 0.00 O ATOM 740 CG2 THR A 46 92.324 -19.896 3.763 1.00 0.00 C ATOM 0 H THR A 46 91.061 -16.367 2.178 1.00 0.00 H new ATOM 0 HA THR A 46 92.728 -18.684 1.225 1.00 0.00 H new ATOM 0 HB THR A 46 91.793 -17.822 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.353 -18.770 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 46 92.652 -20.002 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 46 91.290 -20.229 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 46 92.957 -20.504 3.117 1.00 0.00 H new ATOM 748 N VAL A 47 90.689 -20.139 0.981 1.00 0.00 N ATOM 749 CA VAL A 47 89.441 -20.914 0.747 1.00 0.00 C ATOM 750 C VAL A 47 89.694 -22.389 1.037 1.00 0.00 C ATOM 751 O VAL A 47 90.815 -22.818 1.181 1.00 0.00 O ATOM 752 CB VAL A 47 89.025 -20.769 -0.711 1.00 0.00 C ATOM 753 CG1 VAL A 47 87.499 -20.797 -0.817 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.554 -19.446 -1.268 1.00 0.00 C ATOM 0 H VAL A 47 91.529 -20.530 0.555 1.00 0.00 H new ATOM 0 HA VAL A 47 88.655 -20.537 1.402 1.00 0.00 H new ATOM 0 HB VAL A 47 89.441 -21.595 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.205 -20.693 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.124 -21.743 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.079 -19.974 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.255 -19.345 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.143 -18.618 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.642 -19.431 -1.199 1.00 0.00 H new ATOM 764 N GLN A 48 88.653 -23.164 1.104 1.00 0.00 N ATOM 765 CA GLN A 48 88.812 -24.621 1.369 1.00 0.00 C ATOM 766 C GLN A 48 88.809 -25.375 0.037 1.00 0.00 C ATOM 767 O GLN A 48 87.809 -25.435 -0.651 1.00 0.00 O ATOM 768 CB GLN A 48 87.649 -25.107 2.236 1.00 0.00 C ATOM 769 CG GLN A 48 87.587 -26.634 2.202 1.00 0.00 C ATOM 770 CD GLN A 48 86.761 -27.091 0.997 1.00 0.00 C ATOM 771 OE1 GLN A 48 85.990 -26.327 0.449 1.00 0.00 O ATOM 772 NE2 GLN A 48 86.888 -28.313 0.559 1.00 0.00 N ATOM 0 H GLN A 48 87.690 -22.850 0.986 1.00 0.00 H new ATOM 0 HA GLN A 48 89.752 -24.803 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 48 87.777 -24.761 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 48 86.711 -24.687 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 48 88.594 -27.047 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 48 87.142 -27.010 3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 48 87.535 -28.955 1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 48 86.341 -28.627 -0.243 1.00 0.00 H new ATOM 781 N LEU A 49 89.922 -25.948 -0.335 1.00 0.00 N ATOM 782 CA LEU A 49 89.983 -26.692 -1.625 1.00 0.00 C ATOM 783 C LEU A 49 89.207 -28.004 -1.502 1.00 0.00 C ATOM 784 O LEU A 49 89.033 -28.536 -0.424 1.00 0.00 O ATOM 785 CB LEU A 49 91.442 -26.992 -1.971 1.00 0.00 C ATOM 786 CG LEU A 49 92.130 -25.711 -2.444 1.00 0.00 C ATOM 787 CD1 LEU A 49 93.643 -25.933 -2.505 1.00 0.00 C ATOM 788 CD2 LEU A 49 91.613 -25.331 -3.836 1.00 0.00 C ATOM 0 H LEU A 49 90.791 -25.933 0.199 1.00 0.00 H new ATOM 0 HA LEU A 49 89.539 -26.084 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 49 91.958 -27.393 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 49 91.493 -27.753 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 49 91.909 -24.905 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.132 -25.019 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.012 -26.197 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 49 93.864 -26.741 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.105 -24.418 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 49 91.829 -26.137 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.536 -25.168 -3.792 1.00 0.00 H new ATOM 800 N ARG A 50 88.742 -28.533 -2.602 1.00 0.00 N ATOM 801 CA ARG A 50 87.980 -29.812 -2.551 1.00 0.00 C ATOM 802 C ARG A 50 88.678 -30.781 -1.596 1.00 0.00 C ATOM 803 O ARG A 50 88.252 -30.979 -0.475 1.00 0.00 O ATOM 804 CB ARG A 50 87.924 -30.428 -3.951 1.00 0.00 C ATOM 805 CG ARG A 50 87.408 -29.387 -4.947 1.00 0.00 C ATOM 806 CD ARG A 50 87.309 -30.016 -6.337 1.00 0.00 C ATOM 807 NE ARG A 50 88.635 -29.941 -7.013 1.00 0.00 N ATOM 808 CZ ARG A 50 89.482 -30.930 -6.909 1.00 0.00 C ATOM 809 NH1 ARG A 50 90.642 -30.860 -7.504 1.00 0.00 N ATOM 810 NH2 ARG A 50 89.170 -31.989 -6.211 1.00 0.00 N ATOM 0 H ARG A 50 88.857 -28.134 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 50 86.967 -29.619 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 50 88.915 -30.772 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 50 87.271 -31.301 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 50 86.431 -29.020 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 50 88.079 -28.528 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 50 86.989 -31.055 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 50 86.557 -29.496 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 50 88.882 -29.115 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 50 90.886 -30.033 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 50 91.304 -31.632 -7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 50 88.264 -32.045 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 89.833 -32.760 -6.131 1.00 0.00 H new ATOM 824 N ASN A 51 89.751 -31.387 -2.028 1.00 0.00 N ATOM 825 CA ASN A 51 90.476 -32.340 -1.142 1.00 0.00 C ATOM 826 C ASN A 51 90.578 -31.745 0.262 1.00 0.00 C ATOM 827 O ASN A 51 90.588 -32.453 1.248 1.00 0.00 O ATOM 828 CB ASN A 51 91.879 -32.588 -1.698 1.00 0.00 C ATOM 829 CG ASN A 51 92.385 -33.949 -1.217 1.00 0.00 C ATOM 830 OD1 ASN A 51 93.357 -34.028 -0.491 1.00 0.00 O ATOM 831 ND2 ASN A 51 91.761 -35.033 -1.591 1.00 0.00 N ATOM 0 H ASN A 51 90.156 -31.263 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 51 89.934 -33.285 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 51 91.860 -32.559 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.556 -31.800 -1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.089 -35.945 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 51 90.945 -34.968 -2.200 1.00 0.00 H new ATOM 838 N GLY A 52 90.649 -30.446 0.358 1.00 0.00 N ATOM 839 CA GLY A 52 90.746 -29.802 1.698 1.00 0.00 C ATOM 840 C GLY A 52 92.198 -29.411 1.981 1.00 0.00 C ATOM 841 O GLY A 52 92.881 -30.050 2.756 1.00 0.00 O ATOM 0 H GLY A 52 90.644 -29.803 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 52 90.108 -28.919 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 52 90.387 -30.486 2.467 1.00 0.00 H new ATOM 845 N ASN A 53 92.673 -28.361 1.366 1.00 0.00 N ATOM 846 CA ASN A 53 94.075 -27.926 1.607 1.00 0.00 C ATOM 847 C ASN A 53 94.097 -26.424 1.860 1.00 0.00 C ATOM 848 O ASN A 53 95.129 -25.783 1.837 1.00 0.00 O ATOM 849 CB ASN A 53 94.938 -28.260 0.387 1.00 0.00 C ATOM 850 CG ASN A 53 96.372 -28.551 0.835 1.00 0.00 C ATOM 851 OD1 ASN A 53 97.284 -27.821 0.504 1.00 0.00 O ATOM 852 ND2 ASN A 53 96.610 -29.596 1.579 1.00 0.00 N ATOM 0 H ASN A 53 92.148 -27.786 0.707 1.00 0.00 H new ATOM 0 HA ASN A 53 94.475 -28.448 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 53 94.527 -29.124 -0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 53 94.928 -27.428 -0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 53 97.562 -29.800 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 53 95.844 -30.209 1.857 1.00 0.00 H new ATOM 859 N LEU A 54 92.954 -25.867 2.104 1.00 0.00 N ATOM 860 CA LEU A 54 92.858 -24.411 2.369 1.00 0.00 C ATOM 861 C LEU A 54 93.738 -23.651 1.380 1.00 0.00 C ATOM 862 O LEU A 54 94.926 -23.494 1.581 1.00 0.00 O ATOM 863 CB LEU A 54 93.306 -24.115 3.803 1.00 0.00 C ATOM 864 CG LEU A 54 92.096 -24.172 4.740 1.00 0.00 C ATOM 865 CD1 LEU A 54 92.551 -23.911 6.176 1.00 0.00 C ATOM 866 CD2 LEU A 54 91.067 -23.108 4.331 1.00 0.00 C ATOM 0 H LEU A 54 92.065 -26.366 2.132 1.00 0.00 H new ATOM 0 HA LEU A 54 91.824 -24.089 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 94.057 -24.840 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 54 93.772 -23.131 3.854 1.00 0.00 H new ATOM 0 HG LEU A 54 91.638 -25.159 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 54 91.690 -23.951 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 54 93.275 -24.670 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.012 -22.925 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 54 90.209 -23.155 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 54 91.522 -22.119 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 54 90.738 -23.294 3.308 1.00 0.00 H new ATOM 878 N GLN A 55 93.159 -23.177 0.315 1.00 0.00 N ATOM 879 CA GLN A 55 93.958 -22.422 -0.692 1.00 0.00 C ATOM 880 C GLN A 55 94.393 -21.087 -0.088 1.00 0.00 C ATOM 881 O GLN A 55 93.758 -20.569 0.809 1.00 0.00 O ATOM 882 CB GLN A 55 93.106 -22.166 -1.938 1.00 0.00 C ATOM 883 CG GLN A 55 93.785 -21.111 -2.813 1.00 0.00 C ATOM 884 CD GLN A 55 93.350 -21.297 -4.269 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.979 -22.381 -4.670 1.00 0.00 O ATOM 886 NE2 GLN A 55 93.383 -20.277 -5.083 1.00 0.00 N ATOM 0 H GLN A 55 92.168 -23.278 0.096 1.00 0.00 H new ATOM 0 HA GLN A 55 94.837 -23.003 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 55 92.977 -23.091 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.111 -21.828 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.520 -20.112 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.868 -21.199 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 55 93.695 -19.366 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 55 93.097 -20.391 -6.055 1.00 0.00 H new ATOM 895 N TYR A 56 95.471 -20.528 -0.567 1.00 0.00 N ATOM 896 CA TYR A 56 95.948 -19.229 -0.017 1.00 0.00 C ATOM 897 C TYR A 56 96.322 -18.289 -1.166 1.00 0.00 C ATOM 898 O TYR A 56 97.167 -18.594 -1.982 1.00 0.00 O ATOM 899 CB TYR A 56 97.178 -19.467 0.862 1.00 0.00 C ATOM 900 CG TYR A 56 96.784 -20.277 2.075 1.00 0.00 C ATOM 901 CD1 TYR A 56 96.265 -19.636 3.206 1.00 0.00 C ATOM 902 CD2 TYR A 56 96.940 -21.668 2.068 1.00 0.00 C ATOM 903 CE1 TYR A 56 95.901 -20.386 4.330 1.00 0.00 C ATOM 904 CE2 TYR A 56 96.574 -22.418 3.194 1.00 0.00 C ATOM 905 CZ TYR A 56 96.055 -21.777 4.324 1.00 0.00 C ATOM 906 OH TYR A 56 95.697 -22.517 5.433 1.00 0.00 O ATOM 0 H TYR A 56 96.043 -20.917 -1.317 1.00 0.00 H new ATOM 0 HA TYR A 56 95.154 -18.778 0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 56 97.947 -19.992 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 56 97.606 -18.514 1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 56 96.145 -18.563 3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.342 -22.163 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 56 95.501 -19.891 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 56 96.693 -23.491 3.189 1.00 0.00 H new ATOM 0 HH TYR A 56 95.867 -23.467 5.261 1.00 0.00 H new ATOM 916 N ASP A 57 95.698 -17.145 -1.229 1.00 0.00 N ATOM 917 CA ASP A 57 96.013 -16.173 -2.316 1.00 0.00 C ATOM 918 C ASP A 57 96.192 -14.788 -1.695 1.00 0.00 C ATOM 919 O ASP A 57 95.675 -14.508 -0.632 1.00 0.00 O ATOM 920 CB ASP A 57 94.862 -16.151 -3.327 1.00 0.00 C ATOM 921 CG ASP A 57 94.859 -14.820 -4.084 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.932 -14.356 -4.430 1.00 0.00 O ATOM 923 OD2 ASP A 57 93.782 -14.289 -4.303 1.00 0.00 O ATOM 0 H ASP A 57 94.980 -16.840 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 57 96.929 -16.464 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.967 -16.978 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 57 93.911 -16.289 -2.812 1.00 0.00 H new ATOM 928 N LEU A 58 96.923 -13.915 -2.334 1.00 0.00 N ATOM 929 CA LEU A 58 97.122 -12.560 -1.749 1.00 0.00 C ATOM 930 C LEU A 58 97.156 -11.503 -2.853 1.00 0.00 C ATOM 931 O LEU A 58 97.640 -11.736 -3.945 1.00 0.00 O ATOM 932 CB LEU A 58 98.442 -12.527 -0.974 1.00 0.00 C ATOM 933 CG LEU A 58 99.496 -13.360 -1.712 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.854 -12.658 -1.639 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.606 -14.741 -1.061 1.00 0.00 C ATOM 0 H LEU A 58 97.387 -14.080 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 58 96.292 -12.342 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 58 98.787 -11.498 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.294 -12.919 0.032 1.00 0.00 H new ATOM 0 HG LEU A 58 99.199 -13.469 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.600 -13.254 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 100.781 -11.675 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.149 -12.545 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.356 -15.332 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.899 -14.629 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.642 -15.247 -1.115 1.00 0.00 H new ATOM 947 N HIS A 59 96.651 -10.335 -2.569 1.00 0.00 N ATOM 948 CA HIS A 59 96.655 -9.252 -3.590 1.00 0.00 C ATOM 949 C HIS A 59 96.963 -7.922 -2.902 1.00 0.00 C ATOM 950 O HIS A 59 96.382 -7.589 -1.889 1.00 0.00 O ATOM 951 CB HIS A 59 95.284 -9.176 -4.271 1.00 0.00 C ATOM 952 CG HIS A 59 94.301 -10.040 -3.529 1.00 0.00 C ATOM 953 ND1 HIS A 59 94.207 -11.402 -3.378 1.00 0.00 N flip ATOM 954 CD2 HIS A 59 93.236 -9.506 -2.818 1.00 0.00 C flip ATOM 955 CE1 HIS A 59 93.104 -11.707 -2.589 1.00 0.00 C flip ATOM 956 NE2 HIS A 59 92.553 -10.533 -2.276 1.00 0.00 N flip ATOM 0 H HIS A 59 96.235 -10.084 -1.672 1.00 0.00 H new ATOM 0 HA HIS A 59 97.414 -9.461 -4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.934 -8.144 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 59 95.363 -9.505 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 59 92.998 -8.457 -2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.764 -12.688 -2.292 1.00 0.00 H new ATOM 0 HE2 HIS A 59 91.719 -10.426 -1.699 1.00 0.00 H new ATOM 964 N TYR A 60 97.874 -7.157 -3.439 1.00 0.00 N ATOM 965 CA TYR A 60 98.208 -5.850 -2.799 1.00 0.00 C ATOM 966 C TYR A 60 97.428 -4.730 -3.490 1.00 0.00 C ATOM 967 O TYR A 60 97.556 -4.508 -4.677 1.00 0.00 O ATOM 968 CB TYR A 60 99.717 -5.576 -2.909 1.00 0.00 C ATOM 969 CG TYR A 60 100.383 -6.634 -3.755 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.274 -7.986 -3.408 1.00 0.00 C ATOM 971 CD2 TYR A 60 101.119 -6.260 -4.886 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.899 -8.962 -4.192 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.743 -7.236 -5.670 1.00 0.00 C ATOM 974 CZ TYR A 60 101.633 -8.588 -5.323 1.00 0.00 C ATOM 975 OH TYR A 60 102.249 -9.550 -6.097 1.00 0.00 O ATOM 0 H TYR A 60 98.398 -7.377 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 60 97.934 -5.889 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.884 -4.592 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 60 100.164 -5.561 -1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 60 99.708 -8.276 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.205 -5.217 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 60 100.815 -10.005 -3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.310 -6.947 -6.543 1.00 0.00 H new ATOM 0 HH TYR A 60 102.715 -9.120 -6.844 1.00 0.00 H new ATOM 985 N TRP A 61 96.620 -4.019 -2.750 1.00 0.00 N ATOM 986 CA TRP A 61 95.831 -2.912 -3.359 1.00 0.00 C ATOM 987 C TRP A 61 96.644 -1.618 -3.300 1.00 0.00 C ATOM 988 O TRP A 61 97.068 -1.186 -2.246 1.00 0.00 O ATOM 989 CB TRP A 61 94.526 -2.730 -2.581 1.00 0.00 C ATOM 990 CG TRP A 61 93.564 -1.929 -3.398 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.592 -2.448 -4.183 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.462 -0.481 -3.521 1.00 0.00 C ATOM 993 NE1 TRP A 61 91.901 -1.409 -4.782 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.400 -0.178 -4.404 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.180 0.588 -2.958 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.062 1.138 -4.719 1.00 0.00 C ATOM 997 CZ3 TRP A 61 93.844 1.915 -3.273 1.00 0.00 C ATOM 998 CH2 TRP A 61 92.785 2.189 -4.151 1.00 0.00 C ATOM 0 H TRP A 61 96.473 -4.158 -1.750 1.00 0.00 H new ATOM 0 HA TRP A 61 95.605 -3.153 -4.398 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.095 -3.702 -2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.722 -2.227 -1.634 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.389 -3.500 -4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.119 -1.537 -5.424 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.995 0.388 -2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.247 1.343 -5.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 94.404 2.729 -2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.529 3.211 -4.387 1.00 0.00 H new ATOM 1009 N LEU A 62 96.865 -0.995 -4.428 1.00 0.00 N ATOM 1010 CA LEU A 62 97.650 0.271 -4.445 1.00 0.00 C ATOM 1011 C LEU A 62 96.706 1.452 -4.682 1.00 0.00 C ATOM 1012 O LEU A 62 95.590 1.285 -5.133 1.00 0.00 O ATOM 1013 CB LEU A 62 98.687 0.211 -5.570 1.00 0.00 C ATOM 1014 CG LEU A 62 99.239 -1.211 -5.683 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.291 -1.264 -6.793 1.00 0.00 C ATOM 1016 CD2 LEU A 62 99.881 -1.616 -4.355 1.00 0.00 C ATOM 0 H LEU A 62 96.534 -1.311 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 62 98.158 0.399 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.232 0.512 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.497 0.912 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 62 98.426 -1.898 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.684 -2.277 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.835 -0.975 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.104 -0.577 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.274 -2.629 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.694 -0.929 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.133 -1.579 -3.563 1.00 0.00 H new ATOM 1028 N GLY A 63 97.143 2.645 -4.379 1.00 0.00 N ATOM 1029 CA GLY A 63 96.269 3.836 -4.584 1.00 0.00 C ATOM 1030 C GLY A 63 96.824 4.693 -5.724 1.00 0.00 C ATOM 1031 O GLY A 63 97.997 4.644 -6.038 1.00 0.00 O ATOM 0 H GLY A 63 98.068 2.846 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.253 3.518 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.217 4.423 -3.667 1.00 0.00 H new ATOM 1035 N ASN A 64 95.989 5.480 -6.345 1.00 0.00 N ATOM 1036 CA ASN A 64 96.462 6.342 -7.465 1.00 0.00 C ATOM 1037 C ASN A 64 97.240 7.532 -6.896 1.00 0.00 C ATOM 1038 O ASN A 64 97.915 8.245 -7.614 1.00 0.00 O ATOM 1039 CB ASN A 64 95.256 6.846 -8.268 1.00 0.00 C ATOM 1040 CG ASN A 64 95.460 6.541 -9.754 1.00 0.00 C ATOM 1041 OD1 ASN A 64 95.780 5.427 -10.119 1.00 0.00 O ATOM 1042 ND2 ASN A 64 95.288 7.490 -10.632 1.00 0.00 N ATOM 0 H ASN A 64 94.997 5.563 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 64 97.114 5.765 -8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 64 94.344 6.368 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.132 7.919 -8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 95.422 7.297 -11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 64 95.019 8.425 -10.326 1.00 0.00 H new ATOM 1049 N GLU A 65 97.159 7.744 -5.613 1.00 0.00 N ATOM 1050 CA GLU A 65 97.897 8.877 -4.994 1.00 0.00 C ATOM 1051 C GLU A 65 99.081 8.311 -4.222 1.00 0.00 C ATOM 1052 O GLU A 65 99.566 8.899 -3.275 1.00 0.00 O ATOM 1053 CB GLU A 65 96.971 9.637 -4.041 1.00 0.00 C ATOM 1054 CG GLU A 65 95.526 9.500 -4.521 1.00 0.00 C ATOM 1055 CD GLU A 65 94.669 10.598 -3.890 1.00 0.00 C ATOM 1056 OE1 GLU A 65 93.467 10.403 -3.795 1.00 0.00 O ATOM 1057 OE2 GLU A 65 95.226 11.615 -3.514 1.00 0.00 O ATOM 0 H GLU A 65 96.611 7.179 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 65 98.246 9.565 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.069 9.243 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.255 10.689 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 65 95.485 9.572 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.134 8.519 -4.252 1.00 0.00 H new ATOM 1064 N CYS A 66 99.550 7.167 -4.631 1.00 0.00 N ATOM 1065 CA CYS A 66 100.698 6.538 -3.953 1.00 0.00 C ATOM 1066 C CYS A 66 101.713 6.129 -5.008 1.00 0.00 C ATOM 1067 O CYS A 66 101.611 5.094 -5.636 1.00 0.00 O ATOM 1068 CB CYS A 66 100.225 5.306 -3.198 1.00 0.00 C ATOM 1069 SG CYS A 66 99.811 5.758 -1.496 1.00 0.00 S ATOM 0 H CYS A 66 99.176 6.639 -5.419 1.00 0.00 H new ATOM 0 HA CYS A 66 101.150 7.237 -3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.354 4.876 -3.693 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.003 4.543 -3.203 1.00 0.00 H new ATOM 0 HG CYS A 66 99.562 7.032 -1.434 1.00 0.00 H new ATOM 1075 N SER A 67 102.682 6.947 -5.196 1.00 0.00 N ATOM 1076 CA SER A 67 103.740 6.661 -6.207 1.00 0.00 C ATOM 1077 C SER A 67 104.271 5.240 -6.006 1.00 0.00 C ATOM 1078 O SER A 67 103.803 4.504 -5.160 1.00 0.00 O ATOM 1079 CB SER A 67 104.885 7.661 -6.041 1.00 0.00 C ATOM 1080 OG SER A 67 105.333 7.643 -4.691 1.00 0.00 O ATOM 0 H SER A 67 102.801 7.824 -4.689 1.00 0.00 H new ATOM 0 HA SER A 67 103.319 6.751 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.705 7.406 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 67 104.551 8.662 -6.312 1.00 0.00 H new ATOM 0 HG SER A 67 106.068 8.282 -4.582 1.00 0.00 H new ATOM 1086 N GLN A 68 105.248 4.850 -6.779 1.00 0.00 N ATOM 1087 CA GLN A 68 105.812 3.480 -6.638 1.00 0.00 C ATOM 1088 C GLN A 68 106.502 3.349 -5.278 1.00 0.00 C ATOM 1089 O GLN A 68 106.754 2.259 -4.802 1.00 0.00 O ATOM 1090 CB GLN A 68 106.831 3.230 -7.753 1.00 0.00 C ATOM 1091 CG GLN A 68 106.098 3.081 -9.088 1.00 0.00 C ATOM 1092 CD GLN A 68 107.047 3.439 -10.233 1.00 0.00 C ATOM 1093 OE1 GLN A 68 107.028 4.548 -10.730 1.00 0.00 O ATOM 1094 NE2 GLN A 68 107.883 2.540 -10.676 1.00 0.00 N ATOM 0 H GLN A 68 105.680 5.424 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 68 105.008 2.748 -6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.540 4.057 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.407 2.329 -7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 68 105.738 2.059 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 68 105.223 3.731 -9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 68 107.899 1.609 -10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 68 108.520 2.768 -11.439 1.00 0.00 H new ATOM 1103 N ASP A 69 106.811 4.449 -4.650 1.00 0.00 N ATOM 1104 CA ASP A 69 107.485 4.383 -3.323 1.00 0.00 C ATOM 1105 C ASP A 69 106.554 3.714 -2.315 1.00 0.00 C ATOM 1106 O ASP A 69 106.880 2.702 -1.725 1.00 0.00 O ATOM 1107 CB ASP A 69 107.823 5.798 -2.848 1.00 0.00 C ATOM 1108 CG ASP A 69 108.531 6.558 -3.971 1.00 0.00 C ATOM 1109 OD1 ASP A 69 108.943 7.680 -3.731 1.00 0.00 O ATOM 1110 OD2 ASP A 69 108.650 6.002 -5.051 1.00 0.00 O ATOM 0 H ASP A 69 106.626 5.390 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 69 108.404 3.803 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 69 106.913 6.322 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 69 108.461 5.754 -1.966 1.00 0.00 H new ATOM 1115 N GLU A 70 105.394 4.269 -2.115 1.00 0.00 N ATOM 1116 CA GLU A 70 104.436 3.665 -1.148 1.00 0.00 C ATOM 1117 C GLU A 70 104.079 2.254 -1.612 1.00 0.00 C ATOM 1118 O GLU A 70 104.163 1.300 -0.863 1.00 0.00 O ATOM 1119 CB GLU A 70 103.168 4.520 -1.081 1.00 0.00 C ATOM 1120 CG GLU A 70 103.377 5.665 -0.089 1.00 0.00 C ATOM 1121 CD GLU A 70 104.620 6.465 -0.486 1.00 0.00 C ATOM 1122 OE1 GLU A 70 105.644 6.285 0.152 1.00 0.00 O ATOM 1123 OE2 GLU A 70 104.527 7.241 -1.421 1.00 0.00 O ATOM 0 H GLU A 70 105.066 5.116 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 70 104.892 3.621 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 70 102.932 4.918 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.320 3.908 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 70 102.502 6.315 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 70 103.493 5.269 0.920 1.00 0.00 H new ATOM 1130 N SER A 71 103.688 2.116 -2.847 1.00 0.00 N ATOM 1131 CA SER A 71 103.330 0.769 -3.370 1.00 0.00 C ATOM 1132 C SER A 71 104.575 -0.120 -3.355 1.00 0.00 C ATOM 1133 O SER A 71 104.488 -1.327 -3.246 1.00 0.00 O ATOM 1134 CB SER A 71 102.812 0.899 -4.803 1.00 0.00 C ATOM 1135 OG SER A 71 101.654 1.722 -4.810 1.00 0.00 O ATOM 0 H SER A 71 103.601 2.879 -3.518 1.00 0.00 H new ATOM 0 HA SER A 71 102.554 0.326 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 71 103.582 1.330 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.575 -0.085 -5.207 1.00 0.00 H new ATOM 0 HG SER A 71 101.413 1.940 -5.735 1.00 0.00 H new ATOM 1141 N GLY A 72 105.736 0.470 -3.457 1.00 0.00 N ATOM 1142 CA GLY A 72 106.986 -0.339 -3.445 1.00 0.00 C ATOM 1143 C GLY A 72 107.194 -0.928 -2.048 1.00 0.00 C ATOM 1144 O GLY A 72 107.546 -2.080 -1.896 1.00 0.00 O ATOM 0 H GLY A 72 105.871 1.477 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 72 106.923 -1.138 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 72 107.838 0.283 -3.721 1.00 0.00 H new ATOM 1148 N ALA A 73 106.976 -0.145 -1.027 1.00 0.00 N ATOM 1149 CA ALA A 73 107.159 -0.660 0.358 1.00 0.00 C ATOM 1150 C ALA A 73 106.146 -1.775 0.619 1.00 0.00 C ATOM 1151 O ALA A 73 106.460 -2.790 1.210 1.00 0.00 O ATOM 1152 CB ALA A 73 106.940 0.476 1.361 1.00 0.00 C ATOM 0 H ALA A 73 106.679 0.829 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 73 108.170 -1.050 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.074 0.098 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.661 1.272 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.929 0.868 1.251 1.00 0.00 H new ATOM 1158 N ALA A 74 104.934 -1.594 0.178 1.00 0.00 N ATOM 1159 CA ALA A 74 103.898 -2.643 0.394 1.00 0.00 C ATOM 1160 C ALA A 74 104.342 -3.937 -0.286 1.00 0.00 C ATOM 1161 O ALA A 74 104.285 -5.006 0.290 1.00 0.00 O ATOM 1162 CB ALA A 74 102.570 -2.180 -0.208 1.00 0.00 C ATOM 0 H ALA A 74 104.615 -0.765 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 74 103.770 -2.816 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.812 -2.947 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.255 -1.254 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.695 -2.008 -1.277 1.00 0.00 H new ATOM 1168 N ALA A 75 104.787 -3.852 -1.510 1.00 0.00 N ATOM 1169 CA ALA A 75 105.238 -5.078 -2.227 1.00 0.00 C ATOM 1170 C ALA A 75 106.340 -5.762 -1.417 1.00 0.00 C ATOM 1171 O ALA A 75 106.322 -6.960 -1.213 1.00 0.00 O ATOM 1172 CB ALA A 75 105.780 -4.694 -3.605 1.00 0.00 C ATOM 0 H ALA A 75 104.858 -2.986 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 75 104.397 -5.760 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.110 -5.591 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.995 -4.205 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.622 -4.012 -3.488 1.00 0.00 H new ATOM 1178 N ILE A 76 107.300 -5.010 -0.949 1.00 0.00 N ATOM 1179 CA ILE A 76 108.400 -5.618 -0.151 1.00 0.00 C ATOM 1180 C ILE A 76 107.798 -6.456 0.980 1.00 0.00 C ATOM 1181 O ILE A 76 108.157 -7.600 1.177 1.00 0.00 O ATOM 1182 CB ILE A 76 109.274 -4.511 0.441 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.141 -3.904 -0.665 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.175 -5.096 1.529 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.856 -2.661 -0.130 1.00 0.00 C ATOM 0 H ILE A 76 107.369 -4.002 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 76 109.010 -6.254 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 76 108.638 -3.739 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.871 -4.635 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.522 -3.640 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.797 -4.306 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.559 -5.531 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.812 -5.868 1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.473 -2.229 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.118 -1.928 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.487 -2.939 0.714 1.00 0.00 H new ATOM 1197 N PHE A 77 106.882 -5.895 1.722 1.00 0.00 N ATOM 1198 CA PHE A 77 106.256 -6.663 2.835 1.00 0.00 C ATOM 1199 C PHE A 77 105.614 -7.932 2.274 1.00 0.00 C ATOM 1200 O PHE A 77 105.590 -8.965 2.915 1.00 0.00 O ATOM 1201 CB PHE A 77 105.188 -5.802 3.514 1.00 0.00 C ATOM 1202 CG PHE A 77 105.828 -4.949 4.581 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.803 -4.006 4.233 1.00 0.00 C ATOM 1204 CD2 PHE A 77 105.449 -5.102 5.920 1.00 0.00 C ATOM 1205 CE1 PHE A 77 107.398 -3.216 5.224 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.044 -4.312 6.911 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.018 -3.369 6.562 1.00 0.00 C ATOM 0 H PHE A 77 106.541 -4.941 1.606 1.00 0.00 H new ATOM 0 HA PHE A 77 107.017 -6.933 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.694 -5.169 2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.420 -6.438 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 77 107.096 -3.888 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 77 104.697 -5.830 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 77 108.150 -2.489 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 77 105.752 -4.430 7.944 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.477 -2.759 7.326 1.00 0.00 H new ATOM 1217 N THR A 78 105.094 -7.865 1.079 1.00 0.00 N ATOM 1218 CA THR A 78 104.456 -9.068 0.476 1.00 0.00 C ATOM 1219 C THR A 78 105.531 -10.113 0.178 1.00 0.00 C ATOM 1220 O THR A 78 105.386 -11.277 0.492 1.00 0.00 O ATOM 1221 CB THR A 78 103.750 -8.675 -0.825 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.155 -7.394 -0.670 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.669 -9.707 -1.151 1.00 0.00 C ATOM 0 H THR A 78 105.084 -7.029 0.495 1.00 0.00 H new ATOM 0 HA THR A 78 103.726 -9.482 1.172 1.00 0.00 H new ATOM 0 HB THR A 78 104.475 -8.643 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.704 -7.140 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.166 -9.427 -2.077 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.127 -10.689 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.942 -9.741 -0.340 1.00 0.00 H new ATOM 1231 N VAL A 79 106.617 -9.705 -0.424 1.00 0.00 N ATOM 1232 CA VAL A 79 107.703 -10.673 -0.737 1.00 0.00 C ATOM 1233 C VAL A 79 108.164 -11.350 0.553 1.00 0.00 C ATOM 1234 O VAL A 79 108.566 -12.497 0.559 1.00 0.00 O ATOM 1235 CB VAL A 79 108.880 -9.933 -1.373 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.932 -10.943 -1.832 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.384 -9.132 -2.580 1.00 0.00 C ATOM 0 H VAL A 79 106.797 -8.743 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 79 107.331 -11.426 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 79 109.322 -9.257 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.771 -10.414 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.285 -11.516 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.492 -11.620 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.222 -8.603 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.943 -9.810 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.634 -8.411 -2.255 1.00 0.00 H new ATOM 1247 N GLN A 80 108.105 -10.648 1.651 1.00 0.00 N ATOM 1248 CA GLN A 80 108.535 -11.251 2.944 1.00 0.00 C ATOM 1249 C GLN A 80 107.550 -12.352 3.339 1.00 0.00 C ATOM 1250 O GLN A 80 107.931 -13.480 3.581 1.00 0.00 O ATOM 1251 CB GLN A 80 108.562 -10.172 4.028 1.00 0.00 C ATOM 1252 CG GLN A 80 109.585 -9.098 3.657 1.00 0.00 C ATOM 1253 CD GLN A 80 110.990 -9.588 4.010 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.234 -10.777 4.076 1.00 0.00 O ATOM 1255 NE2 GLN A 80 111.933 -8.716 4.241 1.00 0.00 N ATOM 0 H GLN A 80 107.778 -9.684 1.709 1.00 0.00 H new ATOM 0 HA GLN A 80 109.533 -11.676 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.574 -9.725 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.818 -10.615 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 80 109.523 -8.874 2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.366 -8.173 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 80 111.729 -7.718 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 80 112.874 -9.032 4.477 1.00 0.00 H new ATOM 1264 N LEU A 81 106.285 -12.035 3.404 1.00 0.00 N ATOM 1265 CA LEU A 81 105.284 -13.070 3.781 1.00 0.00 C ATOM 1266 C LEU A 81 105.451 -14.283 2.861 1.00 0.00 C ATOM 1267 O LEU A 81 105.187 -15.405 3.244 1.00 0.00 O ATOM 1268 CB LEU A 81 103.867 -12.485 3.659 1.00 0.00 C ATOM 1269 CG LEU A 81 103.192 -12.953 2.362 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.728 -14.410 2.509 1.00 0.00 C ATOM 1271 CD2 LEU A 81 101.980 -12.059 2.075 1.00 0.00 C ATOM 0 H LEU A 81 105.904 -11.108 3.213 1.00 0.00 H new ATOM 0 HA LEU A 81 105.439 -13.384 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.268 -12.791 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.916 -11.396 3.676 1.00 0.00 H new ATOM 0 HG LEU A 81 103.905 -12.887 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.250 -14.735 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.588 -15.047 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 81 102.016 -14.484 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.496 -12.386 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.273 -12.129 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.308 -11.025 1.964 1.00 0.00 H new ATOM 1283 N ASP A 82 105.899 -14.067 1.655 1.00 0.00 N ATOM 1284 CA ASP A 82 106.092 -15.210 0.721 1.00 0.00 C ATOM 1285 C ASP A 82 107.214 -16.099 1.252 1.00 0.00 C ATOM 1286 O ASP A 82 107.014 -17.265 1.526 1.00 0.00 O ATOM 1287 CB ASP A 82 106.461 -14.684 -0.668 1.00 0.00 C ATOM 1288 CG ASP A 82 105.187 -14.305 -1.426 1.00 0.00 C ATOM 1289 OD1 ASP A 82 104.567 -15.195 -1.984 1.00 0.00 O ATOM 1290 OD2 ASP A 82 104.855 -13.132 -1.437 1.00 0.00 O ATOM 0 H ASP A 82 106.139 -13.150 1.277 1.00 0.00 H new ATOM 0 HA ASP A 82 105.170 -15.787 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 82 107.115 -13.817 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 82 107.013 -15.444 -1.221 1.00 0.00 H new ATOM 1295 N ASP A 83 108.393 -15.559 1.411 1.00 0.00 N ATOM 1296 CA ASP A 83 109.508 -16.388 1.941 1.00 0.00 C ATOM 1297 C ASP A 83 108.989 -17.179 3.139 1.00 0.00 C ATOM 1298 O ASP A 83 109.372 -18.308 3.368 1.00 0.00 O ATOM 1299 CB ASP A 83 110.664 -15.485 2.379 1.00 0.00 C ATOM 1300 CG ASP A 83 111.478 -15.068 1.153 1.00 0.00 C ATOM 1301 OD1 ASP A 83 112.612 -15.504 1.043 1.00 0.00 O ATOM 1302 OD2 ASP A 83 110.954 -14.320 0.345 1.00 0.00 O ATOM 0 H ASP A 83 108.628 -14.590 1.199 1.00 0.00 H new ATOM 0 HA ASP A 83 109.869 -17.068 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.277 -14.603 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 83 111.301 -16.011 3.090 1.00 0.00 H new ATOM 1307 N TYR A 84 108.100 -16.595 3.892 1.00 0.00 N ATOM 1308 CA TYR A 84 107.530 -17.312 5.062 1.00 0.00 C ATOM 1309 C TYR A 84 106.641 -18.443 4.545 1.00 0.00 C ATOM 1310 O TYR A 84 106.534 -19.491 5.150 1.00 0.00 O ATOM 1311 CB TYR A 84 106.704 -16.334 5.906 1.00 0.00 C ATOM 1312 CG TYR A 84 105.645 -17.086 6.679 1.00 0.00 C ATOM 1313 CD1 TYR A 84 105.965 -18.287 7.322 1.00 0.00 C ATOM 1314 CD2 TYR A 84 104.341 -16.581 6.749 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.983 -18.982 8.037 1.00 0.00 C ATOM 1316 CE2 TYR A 84 103.358 -17.276 7.464 1.00 0.00 C ATOM 1317 CZ TYR A 84 103.679 -18.476 8.108 1.00 0.00 C ATOM 1318 OH TYR A 84 102.711 -19.161 8.811 1.00 0.00 O ATOM 0 H TYR A 84 107.744 -15.650 3.746 1.00 0.00 H new ATOM 0 HA TYR A 84 108.326 -17.723 5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.355 -15.795 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.236 -15.590 5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 84 106.970 -18.678 7.266 1.00 0.00 H new ATOM 0 HD2 TYR A 84 104.093 -15.655 6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 84 105.231 -19.908 8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 84 102.352 -16.886 7.518 1.00 0.00 H new ATOM 0 HH TYR A 84 101.863 -18.672 8.761 1.00 0.00 H new ATOM 1328 N LEU A 85 106.010 -18.239 3.419 1.00 0.00 N ATOM 1329 CA LEU A 85 105.136 -19.300 2.848 1.00 0.00 C ATOM 1330 C LEU A 85 105.856 -19.959 1.671 1.00 0.00 C ATOM 1331 O LEU A 85 105.239 -20.475 0.758 1.00 0.00 O ATOM 1332 CB LEU A 85 103.818 -18.679 2.369 1.00 0.00 C ATOM 1333 CG LEU A 85 102.728 -18.910 3.418 1.00 0.00 C ATOM 1334 CD1 LEU A 85 103.073 -18.143 4.695 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.386 -18.414 2.873 1.00 0.00 C ATOM 0 H LEU A 85 106.064 -17.381 2.870 1.00 0.00 H new ATOM 0 HA LEU A 85 104.919 -20.049 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.950 -17.611 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.521 -19.121 1.418 1.00 0.00 H new ATOM 0 HG LEU A 85 102.661 -19.974 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 85 102.295 -18.309 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.029 -18.494 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.141 -17.078 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 85 100.608 -18.577 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.456 -17.350 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 85 101.138 -18.961 1.964 1.00 0.00 H new ATOM 1347 N ASN A 86 107.158 -19.950 1.688 1.00 0.00 N ATOM 1348 CA ASN A 86 107.929 -20.577 0.578 1.00 0.00 C ATOM 1349 C ASN A 86 107.286 -20.209 -0.760 1.00 0.00 C ATOM 1350 O ASN A 86 107.270 -20.994 -1.689 1.00 0.00 O ATOM 1351 CB ASN A 86 107.923 -22.096 0.753 1.00 0.00 C ATOM 1352 CG ASN A 86 109.101 -22.515 1.634 1.00 0.00 C ATOM 1353 OD1 ASN A 86 110.177 -22.789 1.140 1.00 0.00 O ATOM 1354 ND2 ASN A 86 108.944 -22.577 2.928 1.00 0.00 N ATOM 0 H ASN A 86 107.725 -19.533 2.426 1.00 0.00 H new ATOM 0 HA ASN A 86 108.957 -20.215 0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 86 106.985 -22.416 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.991 -22.585 -0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 86 109.724 -22.855 3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 86 108.041 -22.347 3.344 1.00 0.00 H new ATOM 1361 N GLY A 87 106.758 -19.022 -0.868 1.00 0.00 N ATOM 1362 CA GLY A 87 106.119 -18.604 -2.147 1.00 0.00 C ATOM 1363 C GLY A 87 105.261 -19.747 -2.690 1.00 0.00 C ATOM 1364 O GLY A 87 105.698 -20.533 -3.507 1.00 0.00 O ATOM 0 H GLY A 87 106.741 -18.323 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.503 -17.719 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.883 -18.332 -2.875 1.00 0.00 H new ATOM 1368 N ARG A 88 104.039 -19.846 -2.243 1.00 0.00 N ATOM 1369 CA ARG A 88 103.151 -20.934 -2.732 1.00 0.00 C ATOM 1370 C ARG A 88 101.711 -20.421 -2.803 1.00 0.00 C ATOM 1371 O ARG A 88 100.789 -21.062 -2.337 1.00 0.00 O ATOM 1372 CB ARG A 88 103.222 -22.123 -1.772 1.00 0.00 C ATOM 1373 CG ARG A 88 102.761 -21.687 -0.381 1.00 0.00 C ATOM 1374 CD ARG A 88 103.344 -22.632 0.672 1.00 0.00 C ATOM 1375 NE ARG A 88 102.913 -22.189 2.028 1.00 0.00 N ATOM 1376 CZ ARG A 88 103.546 -22.619 3.086 1.00 0.00 C ATOM 1377 NH1 ARG A 88 103.169 -22.232 4.273 1.00 0.00 N ATOM 1378 NH2 ARG A 88 104.557 -23.435 2.955 1.00 0.00 N ATOM 0 H ARG A 88 103.618 -19.218 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 88 103.475 -21.250 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 88 102.594 -22.936 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 88 104.242 -22.505 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 88 103.082 -20.664 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 88 101.672 -21.695 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 88 103.008 -23.652 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 88 104.432 -22.638 0.608 1.00 0.00 H new ATOM 0 HE ARG A 88 102.124 -21.550 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 88 102.380 -21.594 4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 88 103.663 -22.568 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 88 104.852 -23.736 2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 88 105.052 -23.771 3.781 1.00 0.00 H new ATOM 1392 N ALA A 89 101.511 -19.268 -3.379 1.00 0.00 N ATOM 1393 CA ALA A 89 100.133 -18.711 -3.476 1.00 0.00 C ATOM 1394 C ALA A 89 100.054 -17.746 -4.662 1.00 0.00 C ATOM 1395 O ALA A 89 101.026 -17.522 -5.357 1.00 0.00 O ATOM 1396 CB ALA A 89 99.796 -17.965 -2.184 1.00 0.00 C ATOM 0 H ALA A 89 102.243 -18.687 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 89 99.421 -19.523 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 89 98.788 -17.556 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.852 -18.654 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 89 100.508 -17.153 -2.037 1.00 0.00 H new ATOM 1402 N VAL A 90 98.904 -17.178 -4.902 1.00 0.00 N ATOM 1403 CA VAL A 90 98.764 -16.230 -6.044 1.00 0.00 C ATOM 1404 C VAL A 90 98.964 -14.796 -5.549 1.00 0.00 C ATOM 1405 O VAL A 90 98.198 -14.291 -4.753 1.00 0.00 O ATOM 1406 CB VAL A 90 97.367 -16.370 -6.652 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.323 -15.652 -8.001 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.045 -17.852 -6.854 1.00 0.00 C ATOM 0 H VAL A 90 98.055 -17.329 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 90 99.516 -16.459 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 90 96.633 -15.926 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.328 -15.752 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.553 -14.596 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 90 98.057 -16.096 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.050 -17.952 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 90 97.780 -18.296 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.076 -18.365 -5.893 1.00 0.00 H new ATOM 1418 N GLN A 91 99.988 -14.135 -6.017 1.00 0.00 N ATOM 1419 CA GLN A 91 100.240 -12.731 -5.579 1.00 0.00 C ATOM 1420 C GLN A 91 99.954 -11.781 -6.745 1.00 0.00 C ATOM 1421 O GLN A 91 100.496 -11.932 -7.822 1.00 0.00 O ATOM 1422 CB GLN A 91 101.702 -12.593 -5.148 1.00 0.00 C ATOM 1423 CG GLN A 91 102.604 -13.296 -6.163 1.00 0.00 C ATOM 1424 CD GLN A 91 104.060 -13.197 -5.707 1.00 0.00 C ATOM 1425 OE1 GLN A 91 104.426 -12.283 -4.996 1.00 0.00 O ATOM 1426 NE2 GLN A 91 104.915 -14.107 -6.090 1.00 0.00 N ATOM 0 H GLN A 91 100.663 -14.507 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 91 99.590 -12.481 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.972 -11.540 -5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.843 -13.028 -4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.313 -14.342 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 91 102.488 -12.839 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 91 104.609 -14.875 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 91 105.889 -14.049 -5.792 1.00 0.00 H new ATOM 1435 N HIS A 92 99.106 -10.805 -6.548 1.00 0.00 N ATOM 1436 CA HIS A 92 98.801 -9.863 -7.664 1.00 0.00 C ATOM 1437 C HIS A 92 98.425 -8.488 -7.107 1.00 0.00 C ATOM 1438 O HIS A 92 97.677 -8.371 -6.159 1.00 0.00 O ATOM 1439 CB HIS A 92 97.641 -10.415 -8.500 1.00 0.00 C ATOM 1440 CG HIS A 92 96.594 -11.019 -7.602 1.00 0.00 C ATOM 1441 ND1 HIS A 92 95.259 -10.645 -7.674 1.00 0.00 N ATOM 1442 CD2 HIS A 92 96.660 -11.982 -6.621 1.00 0.00 C ATOM 1443 CE1 HIS A 92 94.581 -11.372 -6.765 1.00 0.00 C ATOM 1444 NE2 HIS A 92 95.389 -12.199 -6.099 1.00 0.00 N ATOM 0 H HIS A 92 98.616 -10.621 -5.672 1.00 0.00 H new ATOM 0 HA HIS A 92 99.686 -9.760 -8.292 1.00 0.00 H new ATOM 0 HB2 HIS A 92 97.201 -9.616 -9.097 1.00 0.00 H new ATOM 0 HB3 HIS A 92 98.011 -11.167 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 92 97.559 -12.490 -6.305 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.517 -11.295 -6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 92 95.129 -12.854 -5.361 1.00 0.00 H new ATOM 1452 N ARG A 93 98.945 -7.442 -7.691 1.00 0.00 N ATOM 1453 CA ARG A 93 98.622 -6.074 -7.197 1.00 0.00 C ATOM 1454 C ARG A 93 97.327 -5.583 -7.847 1.00 0.00 C ATOM 1455 O ARG A 93 97.154 -5.658 -9.048 1.00 0.00 O ATOM 1456 CB ARG A 93 99.764 -5.119 -7.555 1.00 0.00 C ATOM 1457 CG ARG A 93 99.709 -4.788 -9.048 1.00 0.00 C ATOM 1458 CD ARG A 93 101.059 -4.222 -9.496 1.00 0.00 C ATOM 1459 NE ARG A 93 102.018 -5.341 -9.716 1.00 0.00 N ATOM 1460 CZ ARG A 93 103.302 -5.126 -9.626 1.00 0.00 C ATOM 1461 NH1 ARG A 93 104.142 -6.105 -9.817 1.00 0.00 N ATOM 1462 NH2 ARG A 93 103.745 -3.931 -9.343 1.00 0.00 N ATOM 0 H ARG A 93 99.580 -7.477 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 93 98.495 -6.103 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.685 -4.205 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.723 -5.575 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 93 99.470 -5.684 -9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 93 98.917 -4.065 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 93 100.938 -3.647 -10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.448 -3.539 -8.741 1.00 0.00 H new ATOM 0 HE ARG A 93 101.671 -6.274 -9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 93 103.795 -7.039 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 93 105.146 -5.937 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 93 103.088 -3.166 -9.192 1.00 0.00 H new ATOM 0 HH22 ARG A 93 104.749 -3.763 -9.273 1.00 0.00 H new ATOM 1476 N GLU A 94 96.415 -5.074 -7.063 1.00 0.00 N ATOM 1477 CA GLU A 94 95.134 -4.571 -7.634 1.00 0.00 C ATOM 1478 C GLU A 94 95.196 -3.047 -7.754 1.00 0.00 C ATOM 1479 O GLU A 94 95.391 -2.346 -6.781 1.00 0.00 O ATOM 1480 CB GLU A 94 93.975 -4.966 -6.715 1.00 0.00 C ATOM 1481 CG GLU A 94 94.308 -6.281 -6.008 1.00 0.00 C ATOM 1482 CD GLU A 94 93.033 -6.884 -5.420 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.846 -8.081 -5.562 1.00 0.00 O ATOM 1484 OE2 GLU A 94 92.263 -6.138 -4.835 1.00 0.00 O ATOM 0 H GLU A 94 96.503 -4.985 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 94 94.978 -5.008 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 94 93.796 -4.181 -5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.058 -5.075 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 94 94.762 -6.979 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 94 95.038 -6.106 -5.217 1.00 0.00 H new ATOM 1491 N VAL A 95 95.035 -2.528 -8.940 1.00 0.00 N ATOM 1492 CA VAL A 95 95.090 -1.049 -9.120 1.00 0.00 C ATOM 1493 C VAL A 95 93.690 -0.458 -8.945 1.00 0.00 C ATOM 1494 O VAL A 95 92.704 -1.168 -8.919 1.00 0.00 O ATOM 1495 CB VAL A 95 95.609 -0.725 -10.521 1.00 0.00 C ATOM 1496 CG1 VAL A 95 95.757 0.790 -10.673 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.971 -1.391 -10.727 1.00 0.00 C ATOM 0 H VAL A 95 94.868 -3.063 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 95 95.760 -0.619 -8.375 1.00 0.00 H new ATOM 0 HB VAL A 95 94.904 -1.099 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL A 95 96.127 1.021 -11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 95 94.788 1.267 -10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 95 96.462 1.163 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.341 -1.160 -11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.675 -1.017 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.868 -2.471 -10.619 1.00 0.00 H new ATOM 1507 N GLN A 96 93.596 0.839 -8.826 1.00 0.00 N ATOM 1508 CA GLN A 96 92.260 1.477 -8.654 1.00 0.00 C ATOM 1509 C GLN A 96 91.657 1.772 -10.029 1.00 0.00 C ATOM 1510 O GLN A 96 92.326 2.256 -10.920 1.00 0.00 O ATOM 1511 CB GLN A 96 92.418 2.785 -7.871 1.00 0.00 C ATOM 1512 CG GLN A 96 91.174 3.656 -8.065 1.00 0.00 C ATOM 1513 CD GLN A 96 89.916 2.792 -7.952 1.00 0.00 C ATOM 1514 OE1 GLN A 96 89.782 2.012 -7.031 1.00 0.00 O ATOM 1515 NE2 GLN A 96 88.982 2.901 -8.857 1.00 0.00 N ATOM 0 H GLN A 96 94.386 1.484 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 96 91.601 0.804 -8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.562 2.571 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.305 3.319 -8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.152 4.447 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.207 4.142 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 96 89.095 3.556 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 96 88.139 2.331 -8.791 1.00 0.00 H new ATOM 1524 N GLY A 97 90.396 1.486 -10.207 1.00 0.00 N ATOM 1525 CA GLY A 97 89.745 1.749 -11.523 1.00 0.00 C ATOM 1526 C GLY A 97 89.428 0.420 -12.210 1.00 0.00 C ATOM 1527 O GLY A 97 88.514 0.326 -13.006 1.00 0.00 O ATOM 0 H GLY A 97 89.787 1.081 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 97 88.830 2.324 -11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.403 2.348 -12.153 1.00 0.00 H new ATOM 1531 N PHE A 98 90.176 -0.606 -11.909 1.00 0.00 N ATOM 1532 CA PHE A 98 89.919 -1.931 -12.545 1.00 0.00 C ATOM 1533 C PHE A 98 89.928 -3.021 -11.471 1.00 0.00 C ATOM 1534 O PHE A 98 89.253 -4.024 -11.585 1.00 0.00 O ATOM 1535 CB PHE A 98 91.011 -2.220 -13.579 1.00 0.00 C ATOM 1536 CG PHE A 98 90.447 -3.084 -14.682 1.00 0.00 C ATOM 1537 CD1 PHE A 98 90.130 -2.516 -15.922 1.00 0.00 C ATOM 1538 CD2 PHE A 98 90.239 -4.450 -14.463 1.00 0.00 C ATOM 1539 CE1 PHE A 98 89.607 -3.317 -16.944 1.00 0.00 C ATOM 1540 CE2 PHE A 98 89.716 -5.251 -15.486 1.00 0.00 C ATOM 1541 CZ PHE A 98 89.399 -4.686 -16.727 1.00 0.00 C ATOM 0 H PHE A 98 90.954 -0.585 -11.250 1.00 0.00 H new ATOM 0 HA PHE A 98 88.947 -1.917 -13.039 1.00 0.00 H new ATOM 0 HB2 PHE A 98 91.391 -1.286 -13.993 1.00 0.00 H new ATOM 0 HB3 PHE A 98 91.853 -2.723 -13.103 1.00 0.00 H new ATOM 0 HD1 PHE A 98 90.289 -1.461 -16.090 1.00 0.00 H new ATOM 0 HD2 PHE A 98 90.482 -4.887 -13.505 1.00 0.00 H new ATOM 0 HE1 PHE A 98 89.363 -2.880 -17.901 1.00 0.00 H new ATOM 0 HE2 PHE A 98 89.557 -6.306 -15.317 1.00 0.00 H new ATOM 0 HZ PHE A 98 88.995 -5.304 -17.515 1.00 0.00 H new ATOM 1551 N GLU A 99 90.688 -2.831 -10.427 1.00 0.00 N ATOM 1552 CA GLU A 99 90.740 -3.855 -9.346 1.00 0.00 C ATOM 1553 C GLU A 99 90.915 -5.243 -9.966 1.00 0.00 C ATOM 1554 O GLU A 99 91.065 -5.384 -11.163 1.00 0.00 O ATOM 1555 CB GLU A 99 89.438 -3.816 -8.544 1.00 0.00 C ATOM 1556 CG GLU A 99 89.153 -2.379 -8.101 1.00 0.00 C ATOM 1557 CD GLU A 99 88.550 -1.594 -9.267 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.813 -2.189 -10.038 1.00 0.00 O ATOM 1559 OE2 GLU A 99 88.836 -0.413 -9.372 1.00 0.00 O ATOM 0 H GLU A 99 91.275 -2.011 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 99 91.581 -3.643 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.614 -4.191 -9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.515 -4.467 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 99 88.466 -2.378 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 99 90.074 -1.902 -7.765 1.00 0.00 H new ATOM 1566 N SER A 100 90.902 -6.269 -9.160 1.00 0.00 N ATOM 1567 CA SER A 100 91.069 -7.647 -9.703 1.00 0.00 C ATOM 1568 C SER A 100 89.703 -8.329 -9.796 1.00 0.00 C ATOM 1569 O SER A 100 88.841 -8.134 -8.962 1.00 0.00 O ATOM 1570 CB SER A 100 91.978 -8.453 -8.774 1.00 0.00 C ATOM 1571 OG SER A 100 92.315 -9.684 -9.399 1.00 0.00 O ATOM 0 H SER A 100 90.783 -6.213 -8.149 1.00 0.00 H new ATOM 0 HA SER A 100 91.516 -7.594 -10.696 1.00 0.00 H new ATOM 0 HB2 SER A 100 92.882 -7.887 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.474 -8.639 -7.825 1.00 0.00 H new ATOM 0 HG SER A 100 92.899 -10.202 -8.807 1.00 0.00 H new ATOM 1577 N ALA A 101 89.496 -9.127 -10.809 1.00 0.00 N ATOM 1578 CA ALA A 101 88.187 -9.821 -10.956 1.00 0.00 C ATOM 1579 C ALA A 101 87.792 -10.456 -9.621 1.00 0.00 C ATOM 1580 O ALA A 101 86.644 -10.427 -9.225 1.00 0.00 O ATOM 1581 CB ALA A 101 88.304 -10.909 -12.025 1.00 0.00 C ATOM 0 H ALA A 101 90.178 -9.327 -11.541 1.00 0.00 H new ATOM 0 HA ALA A 101 87.425 -9.100 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.346 -11.417 -12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 101 88.584 -10.456 -12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 101 89.066 -11.630 -11.729 1.00 0.00 H new ATOM 1587 N THR A 102 88.734 -11.031 -8.925 1.00 0.00 N ATOM 1588 CA THR A 102 88.411 -11.667 -7.618 1.00 0.00 C ATOM 1589 C THR A 102 87.703 -10.653 -6.720 1.00 0.00 C ATOM 1590 O THR A 102 86.716 -10.956 -6.078 1.00 0.00 O ATOM 1591 CB THR A 102 89.703 -12.131 -6.940 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.430 -12.965 -7.831 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.363 -12.914 -5.670 1.00 0.00 C ATOM 0 H THR A 102 89.713 -11.088 -9.205 1.00 0.00 H new ATOM 0 HA THR A 102 87.760 -12.525 -7.784 1.00 0.00 H new ATOM 0 HB THR A 102 90.308 -11.263 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.258 -13.262 -7.399 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.284 -13.244 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.805 -12.274 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.758 -13.783 -5.929 1.00 0.00 H new ATOM 1601 N PHE A 103 88.198 -9.449 -6.672 1.00 0.00 N ATOM 1602 CA PHE A 103 87.556 -8.410 -5.818 1.00 0.00 C ATOM 1603 C PHE A 103 86.214 -8.004 -6.438 1.00 0.00 C ATOM 1604 O PHE A 103 85.182 -8.066 -5.799 1.00 0.00 O ATOM 1605 CB PHE A 103 88.476 -7.185 -5.726 1.00 0.00 C ATOM 1606 CG PHE A 103 88.883 -6.960 -4.288 1.00 0.00 C ATOM 1607 CD1 PHE A 103 88.152 -6.078 -3.484 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.991 -7.633 -3.761 1.00 0.00 C ATOM 1609 CE1 PHE A 103 88.528 -5.870 -2.151 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.368 -7.424 -2.429 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.638 -6.543 -1.624 1.00 0.00 C ATOM 0 H PHE A 103 89.021 -9.138 -7.188 1.00 0.00 H new ATOM 0 HA PHE A 103 87.387 -8.809 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.360 -7.335 -6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 103 87.963 -6.304 -6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 103 87.298 -5.558 -3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.555 -8.313 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 103 87.963 -5.191 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.223 -7.943 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 103 89.930 -6.382 -0.597 1.00 0.00 H new ATOM 1621 N LEU A 104 86.223 -7.588 -7.674 1.00 0.00 N ATOM 1622 CA LEU A 104 84.950 -7.178 -8.330 1.00 0.00 C ATOM 1623 C LEU A 104 83.883 -8.247 -8.087 1.00 0.00 C ATOM 1624 O LEU A 104 82.698 -7.986 -8.174 1.00 0.00 O ATOM 1625 CB LEU A 104 85.178 -7.022 -9.835 1.00 0.00 C ATOM 1626 CG LEU A 104 86.220 -5.929 -10.086 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.536 -5.858 -11.581 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.669 -4.580 -9.616 1.00 0.00 C ATOM 0 H LEU A 104 87.056 -7.514 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 104 84.617 -6.228 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.517 -7.966 -10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.241 -6.766 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 104 87.130 -6.162 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.278 -5.080 -11.759 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.929 -6.818 -11.916 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.626 -5.626 -12.135 1.00 0.00 H new ATOM 0 HD21 LEU A 104 86.411 -3.802 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.758 -4.347 -10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 104 85.445 -4.630 -8.550 1.00 0.00 H new ATOM 1640 N GLY A 105 84.290 -9.449 -7.783 1.00 0.00 N ATOM 1641 CA GLY A 105 83.296 -10.533 -7.535 1.00 0.00 C ATOM 1642 C GLY A 105 83.118 -10.732 -6.030 1.00 0.00 C ATOM 1643 O GLY A 105 82.098 -11.212 -5.574 1.00 0.00 O ATOM 0 H GLY A 105 85.267 -9.728 -7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.341 -10.276 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.632 -11.461 -7.997 1.00 0.00 H new ATOM 1647 N TYR A 106 84.100 -10.368 -5.252 1.00 0.00 N ATOM 1648 CA TYR A 106 83.985 -10.540 -3.777 1.00 0.00 C ATOM 1649 C TYR A 106 83.249 -9.339 -3.177 1.00 0.00 C ATOM 1650 O TYR A 106 82.944 -9.310 -2.001 1.00 0.00 O ATOM 1651 CB TYR A 106 85.386 -10.640 -3.165 1.00 0.00 C ATOM 1652 CG TYR A 106 85.325 -11.457 -1.896 1.00 0.00 C ATOM 1653 CD1 TYR A 106 85.308 -10.816 -0.652 1.00 0.00 C ATOM 1654 CD2 TYR A 106 85.287 -12.855 -1.965 1.00 0.00 C ATOM 1655 CE1 TYR A 106 85.252 -11.574 0.526 1.00 0.00 C ATOM 1656 CE2 TYR A 106 85.231 -13.612 -0.788 1.00 0.00 C ATOM 1657 CZ TYR A 106 85.214 -12.972 0.456 1.00 0.00 C ATOM 1658 OH TYR A 106 85.159 -13.719 1.616 1.00 0.00 O ATOM 0 H TYR A 106 84.977 -9.959 -5.574 1.00 0.00 H new ATOM 0 HA TYR A 106 83.427 -11.451 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.072 -11.102 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.772 -9.644 -2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.338 -9.738 -0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.301 -13.349 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.238 -11.080 1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.201 -14.690 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 106 85.137 -14.672 1.390 1.00 0.00 H new ATOM 1668 N PHE A 107 82.962 -8.347 -3.975 1.00 0.00 N ATOM 1669 CA PHE A 107 82.247 -7.151 -3.447 1.00 0.00 C ATOM 1670 C PHE A 107 80.959 -7.593 -2.749 1.00 0.00 C ATOM 1671 O PHE A 107 80.077 -8.165 -3.358 1.00 0.00 O ATOM 1672 CB PHE A 107 81.904 -6.207 -4.603 1.00 0.00 C ATOM 1673 CG PHE A 107 80.768 -6.788 -5.412 1.00 0.00 C ATOM 1674 CD1 PHE A 107 80.949 -7.985 -6.115 1.00 0.00 C ATOM 1675 CD2 PHE A 107 79.535 -6.129 -5.457 1.00 0.00 C ATOM 1676 CE1 PHE A 107 79.894 -8.522 -6.863 1.00 0.00 C ATOM 1677 CE2 PHE A 107 78.481 -6.665 -6.206 1.00 0.00 C ATOM 1678 CZ PHE A 107 78.660 -7.862 -6.909 1.00 0.00 C ATOM 0 H PHE A 107 83.191 -8.313 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 107 82.887 -6.632 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 107 81.624 -5.228 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 107 82.778 -6.060 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 107 81.901 -8.494 -6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 107 79.396 -5.206 -4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 107 80.032 -9.446 -7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 107 77.530 -6.155 -6.241 1.00 0.00 H new ATOM 0 HZ PHE A 107 77.847 -8.276 -7.487 1.00 0.00 H new ATOM 1688 N LYS A 108 80.845 -7.335 -1.475 1.00 0.00 N ATOM 1689 CA LYS A 108 79.616 -7.741 -0.734 1.00 0.00 C ATOM 1690 C LYS A 108 78.874 -6.492 -0.253 1.00 0.00 C ATOM 1691 O LYS A 108 77.711 -6.298 -0.544 1.00 0.00 O ATOM 1692 CB LYS A 108 80.007 -8.595 0.475 1.00 0.00 C ATOM 1693 CG LYS A 108 78.786 -9.376 0.967 1.00 0.00 C ATOM 1694 CD LYS A 108 78.920 -9.647 2.469 1.00 0.00 C ATOM 1695 CE LYS A 108 78.824 -8.331 3.246 1.00 0.00 C ATOM 1696 NZ LYS A 108 78.068 -8.555 4.510 1.00 0.00 N ATOM 0 H LYS A 108 81.551 -6.859 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 108 78.969 -8.318 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 108 80.807 -9.284 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 108 80.391 -7.960 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 108 77.876 -8.810 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 108 78.701 -10.317 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 108 78.136 -10.330 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 108 79.873 -10.133 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 108 79.822 -7.954 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 108 78.325 -7.574 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 78.002 -7.662 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 77.111 -8.896 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 78.562 -9.264 5.089 1.00 0.00 H new ATOM 1710 N SER A 109 79.539 -5.643 0.483 1.00 0.00 N ATOM 1711 CA SER A 109 78.871 -4.409 0.985 1.00 0.00 C ATOM 1712 C SER A 109 79.110 -3.260 0.000 1.00 0.00 C ATOM 1713 O SER A 109 78.464 -2.234 0.062 1.00 0.00 O ATOM 1714 CB SER A 109 79.448 -4.037 2.351 1.00 0.00 C ATOM 1715 OG SER A 109 80.536 -3.139 2.173 1.00 0.00 O ATOM 0 H SER A 109 80.515 -5.751 0.758 1.00 0.00 H new ATOM 0 HA SER A 109 77.800 -4.589 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 109 78.679 -3.576 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 109 79.783 -4.933 2.873 1.00 0.00 H new ATOM 0 HG SER A 109 80.907 -2.897 3.047 1.00 0.00 H new ATOM 1721 N GLY A 110 80.035 -3.424 -0.907 1.00 0.00 N ATOM 1722 CA GLY A 110 80.313 -2.341 -1.891 1.00 0.00 C ATOM 1723 C GLY A 110 81.522 -1.527 -1.428 1.00 0.00 C ATOM 1724 O GLY A 110 81.390 -0.425 -0.935 1.00 0.00 O ATOM 0 H GLY A 110 80.609 -4.261 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.505 -2.770 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.442 -1.693 -1.990 1.00 0.00 H new ATOM 1728 N LEU A 111 82.702 -2.065 -1.580 1.00 0.00 N ATOM 1729 CA LEU A 111 83.921 -1.325 -1.146 1.00 0.00 C ATOM 1730 C LEU A 111 83.974 0.034 -1.848 1.00 0.00 C ATOM 1731 O LEU A 111 83.301 0.262 -2.833 1.00 0.00 O ATOM 1732 CB LEU A 111 85.167 -2.136 -1.512 1.00 0.00 C ATOM 1733 CG LEU A 111 85.138 -2.481 -3.005 1.00 0.00 C ATOM 1734 CD1 LEU A 111 86.538 -2.894 -3.459 1.00 0.00 C ATOM 1735 CD2 LEU A 111 84.157 -3.635 -3.259 1.00 0.00 C ATOM 0 H LEU A 111 82.874 -2.985 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 111 83.888 -1.174 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 111 86.066 -1.565 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.206 -3.049 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 111 84.813 -1.606 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 111 86.518 -3.140 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 111 87.233 -2.071 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.862 -3.766 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 111 84.143 -3.873 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 111 84.473 -4.512 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 111 83.157 -3.340 -2.940 1.00 0.00 H new ATOM 1747 N LYS A 112 84.774 0.937 -1.347 1.00 0.00 N ATOM 1748 CA LYS A 112 84.876 2.278 -1.983 1.00 0.00 C ATOM 1749 C LYS A 112 86.331 2.749 -1.947 1.00 0.00 C ATOM 1750 O LYS A 112 87.203 2.064 -1.450 1.00 0.00 O ATOM 1751 CB LYS A 112 84.000 3.279 -1.221 1.00 0.00 C ATOM 1752 CG LYS A 112 82.517 2.954 -1.449 1.00 0.00 C ATOM 1753 CD LYS A 112 81.739 4.249 -1.699 1.00 0.00 C ATOM 1754 CE LYS A 112 81.747 5.111 -0.434 1.00 0.00 C ATOM 1755 NZ LYS A 112 81.794 6.551 -0.815 1.00 0.00 N ATOM 0 H LYS A 112 85.361 0.802 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 112 84.537 2.213 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 112 84.230 3.240 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.215 4.293 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.408 2.283 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 112 82.110 2.436 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.186 4.799 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 112 80.713 4.018 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 112 80.856 4.910 0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 112 82.608 4.859 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 81.799 7.137 0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 82.656 6.736 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 80.959 6.786 -1.389 1.00 0.00 H new ATOM 1769 N TYR A 113 86.601 3.914 -2.472 1.00 0.00 N ATOM 1770 CA TYR A 113 88.001 4.427 -2.471 1.00 0.00 C ATOM 1771 C TYR A 113 87.993 5.921 -2.138 1.00 0.00 C ATOM 1772 O TYR A 113 87.536 6.737 -2.913 1.00 0.00 O ATOM 1773 CB TYR A 113 88.629 4.205 -3.853 1.00 0.00 C ATOM 1774 CG TYR A 113 87.590 3.644 -4.796 1.00 0.00 C ATOM 1775 CD1 TYR A 113 86.915 4.493 -5.680 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.305 2.273 -4.786 1.00 0.00 C ATOM 1777 CE1 TYR A 113 85.953 3.972 -6.553 1.00 0.00 C ATOM 1778 CE2 TYR A 113 86.342 1.752 -5.659 1.00 0.00 C ATOM 1779 CZ TYR A 113 85.666 2.602 -6.543 1.00 0.00 C ATOM 1780 OH TYR A 113 84.717 2.089 -7.404 1.00 0.00 O ATOM 0 H TYR A 113 85.913 4.532 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 113 88.587 3.894 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 113 89.018 5.146 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.472 3.519 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 113 87.136 5.550 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 113 87.828 1.618 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 113 85.432 4.628 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 113 86.121 0.695 -5.651 1.00 0.00 H new ATOM 0 HH TYR A 113 84.641 1.121 -7.268 1.00 0.00 H new ATOM 1790 N LYS A 114 88.496 6.285 -0.991 1.00 0.00 N ATOM 1791 CA LYS A 114 88.518 7.726 -0.609 1.00 0.00 C ATOM 1792 C LYS A 114 89.624 8.442 -1.387 1.00 0.00 C ATOM 1793 O LYS A 114 90.797 8.230 -1.151 1.00 0.00 O ATOM 1794 CB LYS A 114 88.784 7.853 0.892 1.00 0.00 C ATOM 1795 CG LYS A 114 89.036 9.319 1.246 1.00 0.00 C ATOM 1796 CD LYS A 114 87.910 10.184 0.676 1.00 0.00 C ATOM 1797 CE LYS A 114 87.869 11.522 1.418 1.00 0.00 C ATOM 1798 NZ LYS A 114 89.257 11.939 1.766 1.00 0.00 N ATOM 0 H LYS A 114 88.893 5.647 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 114 87.555 8.180 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.932 7.474 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 114 89.646 7.248 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 114 89.088 9.439 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 114 89.996 9.641 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 114 88.069 10.351 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.954 9.670 0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 114 87.395 12.281 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 114 87.268 11.430 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 89.276 12.962 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 89.571 11.426 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 89.894 11.720 0.974 1.00 0.00 H new ATOM 1812 N LYS A 115 89.260 9.287 -2.312 1.00 0.00 N ATOM 1813 CA LYS A 115 90.293 10.016 -3.103 1.00 0.00 C ATOM 1814 C LYS A 115 90.867 11.157 -2.262 1.00 0.00 C ATOM 1815 O LYS A 115 90.177 12.096 -1.919 1.00 0.00 O ATOM 1816 CB LYS A 115 89.655 10.586 -4.371 1.00 0.00 C ATOM 1817 CG LYS A 115 89.534 9.483 -5.425 1.00 0.00 C ATOM 1818 CD LYS A 115 89.050 10.088 -6.744 1.00 0.00 C ATOM 1819 CE LYS A 115 88.926 8.984 -7.795 1.00 0.00 C ATOM 1820 NZ LYS A 115 87.604 8.312 -7.654 1.00 0.00 N ATOM 0 H LYS A 115 88.293 9.504 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 115 91.094 9.329 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 115 88.671 10.995 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.259 11.407 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 115 90.498 8.995 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 115 88.836 8.717 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 115 88.087 10.578 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.749 10.852 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 115 89.027 9.406 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 115 89.730 8.258 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 87.518 7.561 -8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 87.525 7.897 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 86.844 9.009 -7.791 1.00 0.00 H new ATOM 1834 N GLY A 116 92.126 11.084 -1.928 1.00 0.00 N ATOM 1835 CA GLY A 116 92.744 12.164 -1.109 1.00 0.00 C ATOM 1836 C GLY A 116 92.915 13.420 -1.965 1.00 0.00 C ATOM 1837 O GLY A 116 91.973 13.917 -2.551 1.00 0.00 O ATOM 0 H GLY A 116 92.754 10.323 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 116 92.117 12.383 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 116 93.711 11.837 -0.727 1.00 0.00 H new ATOM 1841 N GLY A 117 94.110 13.939 -2.043 1.00 0.00 N ATOM 1842 CA GLY A 117 94.339 15.163 -2.862 1.00 0.00 C ATOM 1843 C GLY A 117 95.830 15.506 -2.860 1.00 0.00 C ATOM 1844 O GLY A 117 96.419 15.748 -1.826 1.00 0.00 O ATOM 0 H GLY A 117 94.937 13.569 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 117 93.994 15.000 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 117 93.763 15.996 -2.459 1.00 0.00 H new ATOM 1848 N VAL A 118 96.443 15.533 -4.011 1.00 0.00 N ATOM 1849 CA VAL A 118 97.894 15.863 -4.075 1.00 0.00 C ATOM 1850 C VAL A 118 98.067 17.379 -4.188 1.00 0.00 C ATOM 1851 O VAL A 118 97.181 18.141 -3.856 1.00 0.00 O ATOM 1852 CB VAL A 118 98.517 15.186 -5.296 1.00 0.00 C ATOM 1853 CG1 VAL A 118 98.551 13.672 -5.079 1.00 0.00 C ATOM 1854 CG2 VAL A 118 97.682 15.504 -6.537 1.00 0.00 C ATOM 0 H VAL A 118 96.001 15.341 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 118 98.388 15.507 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 118 99.533 15.556 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 118 98.995 13.190 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 118 99.146 13.444 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 118 97.536 13.302 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 118 98.126 15.021 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 118 96.666 15.135 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 118 97.658 16.583 -6.693 1.00 0.00 H new ATOM 1864 N ALA A 119 99.202 17.823 -4.656 1.00 0.00 N ATOM 1865 CA ALA A 119 99.430 19.289 -4.789 1.00 0.00 C ATOM 1866 C ALA A 119 98.651 19.817 -5.996 1.00 0.00 C ATOM 1867 O ALA A 119 99.077 20.736 -6.668 1.00 0.00 O ATOM 1868 CB ALA A 119 100.923 19.557 -4.989 1.00 0.00 C ATOM 0 H ALA A 119 99.980 17.234 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 119 99.088 19.794 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 119 101.090 20.630 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 119 101.479 19.180 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 119 101.265 19.053 -5.893 1.00 0.00 H new ATOM 1874 N SER A 120 97.511 19.246 -6.275 1.00 0.00 N ATOM 1875 CA SER A 120 96.705 19.716 -7.436 1.00 0.00 C ATOM 1876 C SER A 120 97.555 19.647 -8.707 1.00 0.00 C ATOM 1877 O SER A 120 98.712 19.279 -8.673 1.00 0.00 O ATOM 1878 CB SER A 120 96.262 21.160 -7.197 1.00 0.00 C ATOM 1879 OG SER A 120 95.115 21.435 -7.991 1.00 0.00 O ATOM 0 H SER A 120 97.103 18.474 -5.748 1.00 0.00 H new ATOM 0 HA SER A 120 95.827 19.081 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 120 96.034 21.313 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 120 97.069 21.847 -7.452 1.00 0.00 H new ATOM 0 HG SER A 120 94.826 22.359 -7.840 1.00 0.00 H new ATOM 1885 N GLY A 121 96.988 19.999 -9.829 1.00 0.00 N ATOM 1886 CA GLY A 121 97.764 19.951 -11.102 1.00 0.00 C ATOM 1887 C GLY A 121 96.879 20.426 -12.256 1.00 0.00 C ATOM 1888 O GLY A 121 95.847 19.851 -12.535 1.00 0.00 O ATOM 0 H GLY A 121 96.023 20.317 -9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 121 98.649 20.582 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 121 98.112 18.935 -11.290 1.00 0.00 H new ATOM 1892 N PHE A 122 97.275 21.472 -12.929 1.00 0.00 N ATOM 1893 CA PHE A 122 96.455 21.984 -14.063 1.00 0.00 C ATOM 1894 C PHE A 122 97.177 23.163 -14.720 1.00 0.00 C ATOM 1895 O PHE A 122 98.346 23.394 -14.487 1.00 0.00 O ATOM 1896 CB PHE A 122 95.091 22.447 -13.539 1.00 0.00 C ATOM 1897 CG PHE A 122 94.091 21.321 -13.660 1.00 0.00 C ATOM 1898 CD1 PHE A 122 93.779 20.795 -14.919 1.00 0.00 C ATOM 1899 CD2 PHE A 122 93.475 20.805 -12.512 1.00 0.00 C ATOM 1900 CE1 PHE A 122 92.851 19.752 -15.030 1.00 0.00 C ATOM 1901 CE2 PHE A 122 92.548 19.762 -12.625 1.00 0.00 C ATOM 1902 CZ PHE A 122 92.235 19.236 -13.883 1.00 0.00 C ATOM 0 H PHE A 122 98.131 21.994 -12.742 1.00 0.00 H new ATOM 0 HA PHE A 122 96.311 21.191 -14.796 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.177 22.760 -12.498 1.00 0.00 H new ATOM 0 HB3 PHE A 122 94.748 23.313 -14.105 1.00 0.00 H new ATOM 0 HD1 PHE A 122 94.253 21.193 -15.804 1.00 0.00 H new ATOM 0 HD2 PHE A 122 93.715 21.212 -11.541 1.00 0.00 H new ATOM 0 HE1 PHE A 122 92.610 19.345 -16.001 1.00 0.00 H new ATOM 0 HE2 PHE A 122 92.074 19.363 -11.740 1.00 0.00 H new ATOM 0 HZ PHE A 122 91.519 18.432 -13.970 1.00 0.00 H new ATOM 1912 N LYS A 123 96.486 23.910 -15.540 1.00 0.00 N ATOM 1913 CA LYS A 123 97.126 25.077 -16.213 1.00 0.00 C ATOM 1914 C LYS A 123 98.344 24.607 -17.014 1.00 0.00 C ATOM 1915 O LYS A 123 99.258 24.010 -16.483 1.00 0.00 O ATOM 1916 CB LYS A 123 97.569 26.097 -15.158 1.00 0.00 C ATOM 1917 CG LYS A 123 96.427 27.078 -14.884 1.00 0.00 C ATOM 1918 CD LYS A 123 95.235 26.323 -14.296 1.00 0.00 C ATOM 1919 CE LYS A 123 94.095 27.304 -14.021 1.00 0.00 C ATOM 1920 NZ LYS A 123 93.329 27.542 -15.278 1.00 0.00 N ATOM 0 H LYS A 123 95.504 23.762 -15.773 1.00 0.00 H new ATOM 0 HA LYS A 123 96.408 25.542 -16.889 1.00 0.00 H new ATOM 0 HB2 LYS A 123 97.851 25.585 -14.238 1.00 0.00 H new ATOM 0 HB3 LYS A 123 98.450 26.636 -15.506 1.00 0.00 H new ATOM 0 HG2 LYS A 123 96.757 27.853 -14.192 1.00 0.00 H new ATOM 0 HG3 LYS A 123 96.134 27.579 -15.807 1.00 0.00 H new ATOM 0 HD2 LYS A 123 94.904 25.549 -14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 123 95.528 25.821 -13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 123 93.435 26.905 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 123 94.494 28.245 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 92.554 28.209 -15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 93.962 27.941 -16.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 92.936 26.642 -15.621 1.00 0.00 H new ATOM 1934 N HIS A 124 98.361 24.876 -18.291 1.00 0.00 N ATOM 1935 CA HIS A 124 99.516 24.450 -19.129 1.00 0.00 C ATOM 1936 C HIS A 124 100.766 25.221 -18.703 1.00 0.00 C ATOM 1937 O HIS A 124 100.902 25.619 -17.564 1.00 0.00 O ATOM 1938 CB HIS A 124 99.212 24.746 -20.600 1.00 0.00 C ATOM 1939 CG HIS A 124 97.864 24.182 -20.956 1.00 0.00 C ATOM 1940 ND1 HIS A 124 96.981 24.849 -21.793 1.00 0.00 N ATOM 1941 CD2 HIS A 124 97.233 23.016 -20.594 1.00 0.00 C ATOM 1942 CE1 HIS A 124 95.877 24.087 -21.909 1.00 0.00 C ATOM 1943 NE2 HIS A 124 95.983 22.962 -21.199 1.00 0.00 N ATOM 0 H HIS A 124 97.623 25.373 -18.790 1.00 0.00 H new ATOM 0 HA HIS A 124 99.686 23.381 -18.999 1.00 0.00 H new ATOM 0 HB2 HIS A 124 99.226 25.822 -20.776 1.00 0.00 H new ATOM 0 HB3 HIS A 124 99.981 24.308 -21.237 1.00 0.00 H new ATOM 0 HD2 HIS A 124 97.644 22.260 -19.941 1.00 0.00 H new ATOM 0 HE1 HIS A 124 95.014 24.353 -22.502 1.00 0.00 H new ATOM 0 HE2 HIS A 124 95.291 22.217 -21.117 1.00 0.00 H new ATOM 1951 N VAL A 125 101.678 25.429 -19.613 1.00 0.00 N ATOM 1952 CA VAL A 125 102.927 26.173 -19.273 1.00 0.00 C ATOM 1953 C VAL A 125 102.616 27.261 -18.239 1.00 0.00 C ATOM 1954 O VAL A 125 102.038 28.282 -18.553 1.00 0.00 O ATOM 1955 CB VAL A 125 103.492 26.814 -20.545 1.00 0.00 C ATOM 1956 CG1 VAL A 125 102.346 27.392 -21.379 1.00 0.00 C ATOM 1957 CG2 VAL A 125 104.467 27.934 -20.173 1.00 0.00 C ATOM 0 H VAL A 125 101.613 25.115 -20.581 1.00 0.00 H new ATOM 0 HA VAL A 125 103.661 25.484 -18.854 1.00 0.00 H new ATOM 0 HB VAL A 125 104.019 26.056 -21.124 1.00 0.00 H new ATOM 0 HG11 VAL A 125 102.748 27.848 -22.284 1.00 0.00 H new ATOM 0 HG12 VAL A 125 101.655 26.594 -21.651 1.00 0.00 H new ATOM 0 HG13 VAL A 125 101.817 28.147 -20.797 1.00 0.00 H new ATOM 0 HG21 VAL A 125 104.866 28.386 -21.081 1.00 0.00 H new ATOM 0 HG22 VAL A 125 103.945 28.692 -19.589 1.00 0.00 H new ATOM 0 HG23 VAL A 125 105.286 27.522 -19.583 1.00 0.00 H new ATOM 1967 N VAL A 126 102.993 27.045 -17.007 1.00 0.00 N ATOM 1968 CA VAL A 126 102.717 28.065 -15.956 1.00 0.00 C ATOM 1969 C VAL A 126 103.809 29.140 -15.972 1.00 0.00 C ATOM 1970 O VAL A 126 103.528 30.314 -15.837 1.00 0.00 O ATOM 1971 CB VAL A 126 102.679 27.388 -14.579 1.00 0.00 C ATOM 1972 CG1 VAL A 126 101.560 28.003 -13.734 1.00 0.00 C ATOM 1973 CG2 VAL A 126 102.417 25.891 -14.752 1.00 0.00 C ATOM 0 H VAL A 126 103.479 26.208 -16.684 1.00 0.00 H new ATOM 0 HA VAL A 126 101.753 28.533 -16.156 1.00 0.00 H new ATOM 0 HB VAL A 126 103.636 27.536 -14.079 1.00 0.00 H new ATOM 0 HG11 VAL A 126 101.535 27.521 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 126 101.744 29.070 -13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.603 27.857 -14.235 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.390 25.411 -13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 126 101.461 25.745 -15.254 1.00 0.00 H new ATOM 0 HG23 VAL A 126 103.213 25.449 -15.351 1.00 0.00 H new ATOM 1983 N PRO A 127 105.048 28.746 -16.130 1.00 0.00 N ATOM 1984 CA PRO A 127 106.190 29.695 -16.158 1.00 0.00 C ATOM 1985 C PRO A 127 106.399 30.315 -17.544 1.00 0.00 C ATOM 1986 O PRO A 127 105.682 31.211 -17.945 1.00 0.00 O ATOM 1987 CB PRO A 127 107.380 28.817 -15.770 1.00 0.00 C ATOM 1988 CG PRO A 127 107.030 27.442 -16.244 1.00 0.00 C ATOM 1989 CD PRO A 127 105.498 27.355 -16.300 1.00 0.00 C ATOM 0 HA PRO A 127 106.037 30.546 -15.494 1.00 0.00 H new ATOM 0 HB2 PRO A 127 108.299 29.172 -16.237 1.00 0.00 H new ATOM 0 HB3 PRO A 127 107.544 28.831 -14.693 1.00 0.00 H new ATOM 0 HG2 PRO A 127 107.462 27.253 -17.227 1.00 0.00 H new ATOM 0 HG3 PRO A 127 107.433 26.688 -15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 127 105.158 26.940 -17.249 1.00 0.00 H new ATOM 0 HD3 PRO A 127 105.107 26.711 -15.512 1.00 0.00 H new ATOM 1997 N ASN A 128 107.370 29.846 -18.281 1.00 0.00 N ATOM 1998 CA ASN A 128 107.616 30.412 -19.638 1.00 0.00 C ATOM 1999 C ASN A 128 108.429 29.416 -20.468 1.00 0.00 C ATOM 2000 O ASN A 128 108.463 28.236 -20.181 1.00 0.00 O ATOM 2001 CB ASN A 128 108.396 31.723 -19.511 1.00 0.00 C ATOM 2002 CG ASN A 128 107.742 32.608 -18.447 1.00 0.00 C ATOM 2003 OD1 ASN A 128 106.630 33.232 -18.730 1.00 0.00 O flip ATOM 2004 ND2 ASN A 128 108.246 32.734 -17.350 1.00 0.00 N flip ATOM 0 H ASN A 128 108.003 29.096 -18.002 1.00 0.00 H new ATOM 0 HA ASN A 128 106.662 30.602 -20.129 1.00 0.00 H new ATOM 0 HB2 ASN A 128 109.432 31.517 -19.241 1.00 0.00 H new ATOM 0 HB3 ASN A 128 108.414 32.242 -20.469 1.00 0.00 H new ATOM 0 HD21 ASN A 128 109.114 32.247 -17.129 1.00 0.00 H new ATOM 0 HD22 ASN A 128 107.801 33.327 -16.649 1.00 0.00 H new ATOM 2011 N GLU A 129 109.084 29.884 -21.494 1.00 0.00 N ATOM 2012 CA GLU A 129 109.896 28.966 -22.343 1.00 0.00 C ATOM 2013 C GLU A 129 110.675 29.786 -23.373 1.00 0.00 C ATOM 2014 O GLU A 129 110.144 30.198 -24.385 1.00 0.00 O ATOM 2015 CB GLU A 129 108.970 27.985 -23.065 1.00 0.00 C ATOM 2016 CG GLU A 129 109.807 27.011 -23.897 1.00 0.00 C ATOM 2017 CD GLU A 129 110.221 27.684 -25.207 1.00 0.00 C ATOM 2018 OE1 GLU A 129 109.354 27.904 -26.037 1.00 0.00 O ATOM 2019 OE2 GLU A 129 111.399 27.967 -25.358 1.00 0.00 O ATOM 0 H GLU A 129 109.092 30.863 -21.782 1.00 0.00 H new ATOM 0 HA GLU A 129 110.593 28.410 -21.716 1.00 0.00 H new ATOM 0 HB2 GLU A 129 108.368 27.437 -22.341 1.00 0.00 H new ATOM 0 HB3 GLU A 129 108.278 28.528 -23.709 1.00 0.00 H new ATOM 0 HG2 GLU A 129 110.691 26.705 -23.338 1.00 0.00 H new ATOM 0 HG3 GLU A 129 109.233 26.108 -24.105 1.00 0.00 H new ATOM 2026 N VAL A 130 111.934 30.024 -23.126 1.00 0.00 N ATOM 2027 CA VAL A 130 112.747 30.815 -24.090 1.00 0.00 C ATOM 2028 C VAL A 130 114.230 30.494 -23.895 1.00 0.00 C ATOM 2029 O VAL A 130 114.892 30.005 -24.787 1.00 0.00 O ATOM 2030 CB VAL A 130 112.513 32.308 -23.851 1.00 0.00 C ATOM 2031 CG1 VAL A 130 113.531 33.120 -24.652 1.00 0.00 C ATOM 2032 CG2 VAL A 130 111.098 32.682 -24.301 1.00 0.00 C ATOM 0 H VAL A 130 112.435 29.704 -22.297 1.00 0.00 H new ATOM 0 HA VAL A 130 112.452 30.559 -25.107 1.00 0.00 H new ATOM 0 HB VAL A 130 112.628 32.526 -22.789 1.00 0.00 H new ATOM 0 HG11 VAL A 130 113.364 34.183 -24.481 1.00 0.00 H new ATOM 0 HG12 VAL A 130 114.539 32.856 -24.333 1.00 0.00 H new ATOM 0 HG13 VAL A 130 113.417 32.901 -25.714 1.00 0.00 H new ATOM 0 HG21 VAL A 130 110.931 33.746 -24.131 1.00 0.00 H new ATOM 0 HG22 VAL A 130 110.984 32.462 -25.362 1.00 0.00 H new ATOM 0 HG23 VAL A 130 110.370 32.105 -23.731 1.00 0.00 H new ATOM 2042 N VAL A 131 114.758 30.767 -22.732 1.00 0.00 N ATOM 2043 CA VAL A 131 116.197 30.478 -22.479 1.00 0.00 C ATOM 2044 C VAL A 131 116.554 29.109 -23.064 1.00 0.00 C ATOM 2045 O VAL A 131 116.084 28.086 -22.607 1.00 0.00 O ATOM 2046 CB VAL A 131 116.458 30.471 -20.972 1.00 0.00 C ATOM 2047 CG1 VAL A 131 117.966 30.471 -20.717 1.00 0.00 C ATOM 2048 CG2 VAL A 131 115.835 31.720 -20.343 1.00 0.00 C ATOM 0 H VAL A 131 114.254 31.178 -21.946 1.00 0.00 H new ATOM 0 HA VAL A 131 116.810 31.246 -22.951 1.00 0.00 H new ATOM 0 HB VAL A 131 116.014 29.579 -20.529 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.153 30.466 -19.643 1.00 0.00 H new ATOM 0 HG12 VAL A 131 118.411 29.584 -21.167 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.410 31.363 -21.159 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.020 31.717 -19.269 1.00 0.00 H new ATOM 0 HG22 VAL A 131 116.280 32.611 -20.785 1.00 0.00 H new ATOM 0 HG23 VAL A 131 114.761 31.722 -20.526 1.00 0.00 H new ATOM 2058 N VAL A 132 117.382 29.083 -24.072 1.00 0.00 N ATOM 2059 CA VAL A 132 117.769 27.781 -24.684 1.00 0.00 C ATOM 2060 C VAL A 132 118.849 27.115 -23.831 1.00 0.00 C ATOM 2061 O VAL A 132 119.881 26.707 -24.326 1.00 0.00 O ATOM 2062 CB VAL A 132 118.310 28.023 -26.095 1.00 0.00 C ATOM 2063 CG1 VAL A 132 118.221 26.729 -26.906 1.00 0.00 C ATOM 2064 CG2 VAL A 132 117.479 29.110 -26.780 1.00 0.00 C ATOM 0 H VAL A 132 117.807 29.907 -24.498 1.00 0.00 H new ATOM 0 HA VAL A 132 116.896 27.130 -24.735 1.00 0.00 H new ATOM 0 HB VAL A 132 119.350 28.343 -26.034 1.00 0.00 H new ATOM 0 HG11 VAL A 132 118.606 26.902 -27.911 1.00 0.00 H new ATOM 0 HG12 VAL A 132 118.812 25.953 -26.419 1.00 0.00 H new ATOM 0 HG13 VAL A 132 117.181 26.408 -26.967 1.00 0.00 H new ATOM 0 HG21 VAL A 132 117.864 29.283 -27.785 1.00 0.00 H new ATOM 0 HG22 VAL A 132 116.439 28.789 -26.840 1.00 0.00 H new ATOM 0 HG23 VAL A 132 117.542 30.033 -26.204 1.00 0.00 H new ATOM 2074 N GLN A 133 118.620 27.000 -22.552 1.00 0.00 N ATOM 2075 CA GLN A 133 119.635 26.360 -21.668 1.00 0.00 C ATOM 2076 C GLN A 133 119.332 24.865 -21.544 1.00 0.00 C ATOM 2077 O GLN A 133 118.254 24.535 -21.082 1.00 0.00 O ATOM 2078 CB GLN A 133 119.588 27.007 -20.282 1.00 0.00 C ATOM 2079 CG GLN A 133 120.713 26.439 -19.413 1.00 0.00 C ATOM 2080 CD GLN A 133 120.742 27.171 -18.071 1.00 0.00 C ATOM 2081 OE1 GLN A 133 119.814 27.876 -17.729 1.00 0.00 O ATOM 2082 NE2 GLN A 133 121.779 27.034 -17.290 1.00 0.00 N ATOM 2083 OXT GLN A 133 120.185 24.075 -21.913 1.00 0.00 O ATOM 0 H GLN A 133 117.774 27.321 -22.081 1.00 0.00 H new ATOM 0 HA GLN A 133 120.628 26.496 -22.097 1.00 0.00 H new ATOM 0 HB2 GLN A 133 119.693 28.088 -20.370 1.00 0.00 H new ATOM 0 HB3 GLN A 133 118.622 26.818 -19.814 1.00 0.00 H new ATOM 0 HG2 GLN A 133 120.560 25.372 -19.254 1.00 0.00 H new ATOM 0 HG3 GLN A 133 121.671 26.551 -19.921 1.00 0.00 H new ATOM 0 HE21 GLN A 133 122.559 26.442 -17.577 1.00 0.00 H new ATOM 0 HE22 GLN A 133 121.810 27.519 -16.393 1.00 0.00 H new TER 2092 GLN A 133