USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 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 63 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 1.2: A 108 MET CE :methyl 164:sc= -0.117 (180deg=-0.597) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=-0.82,f=-0.82) USER MOD Set 2.2: A 19 THR OG1 : rot -140:sc= -0.816 USER MOD Set 2.3: A 60 THR OG1 : rot 178:sc= 0.0012 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 1.16 USER MOD Single : A 3 SER OG : rot 180:sc= -0.241 USER MOD Single : A 5 SER OG : rot 66:sc= 0.471 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -7:sc= 0.577 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00337 K(o=-0.0034,f=-1.3) USER MOD Single : A 22 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.06) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -0.546 (180deg=-1.75!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.787 USER MOD Single : A 41 ASN : amide:sc= -6.05! C(o=-6.1!,f=-14!) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -1.03 (180deg=-2.32!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 47 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.19) USER MOD Single : A 56 SER OG : rot 133:sc= 0.085 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.39 K(o=-0.39,f=-0.9) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.089) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 79 THR OG1 : rot 134:sc= -3.95! USER MOD Single : A 80 HIS : no HE2:sc= -6.14! C(o=-6.1!,f=-9!) USER MOD Single : A 81 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.085) USER MOD Single : A 89 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.3!) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.26 F(o=-2.9!,f=-1.3) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 112 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.64) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 43:sc= 1.15 USER MOD Single : A 118 SER OG : rot 180:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.570 7.616 29.007 1.00 0.00 N ATOM 2 CA GLY A 1 -11.256 7.416 28.419 1.00 0.00 C ATOM 3 C GLY A 1 -11.062 5.959 27.995 1.00 0.00 C ATOM 4 O GLY A 1 -11.860 5.094 28.350 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.144 8.213 28.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.038 6.696 29.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.469 8.083 29.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.137 8.069 27.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.486 7.695 29.138 1.00 0.00 H new ATOM 8 N SER A 2 -9.996 5.733 27.242 1.00 0.00 N ATOM 9 CA SER A 2 -9.686 4.396 26.765 1.00 0.00 C ATOM 10 C SER A 2 -8.428 4.428 25.895 1.00 0.00 C ATOM 11 O SER A 2 -7.938 5.501 25.546 1.00 0.00 O ATOM 12 CB SER A 2 -10.859 3.805 25.981 1.00 0.00 C ATOM 13 OG SER A 2 -11.771 3.111 26.827 1.00 0.00 O ATOM 0 H SER A 2 -9.336 6.454 26.950 1.00 0.00 H new ATOM 0 HA SER A 2 -9.505 3.758 27.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.385 4.604 25.459 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.480 3.123 25.220 1.00 0.00 H new ATOM 0 HG SER A 2 -11.841 3.578 27.686 1.00 0.00 H new ATOM 19 N SER A 3 -7.941 3.240 25.570 1.00 0.00 N ATOM 20 CA SER A 3 -6.749 3.119 24.748 1.00 0.00 C ATOM 21 C SER A 3 -6.359 1.646 24.605 1.00 0.00 C ATOM 22 O SER A 3 -6.783 0.808 25.399 1.00 0.00 O ATOM 23 CB SER A 3 -5.588 3.920 25.339 1.00 0.00 C ATOM 24 OG SER A 3 -4.330 3.503 24.816 1.00 0.00 O ATOM 0 H SER A 3 -8.350 2.352 25.861 1.00 0.00 H new ATOM 0 HA SER A 3 -6.971 3.527 23.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.735 4.979 25.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.585 3.808 26.423 1.00 0.00 H new ATOM 0 HG SER A 3 -3.615 4.040 25.217 1.00 0.00 H new ATOM 30 N GLY A 4 -5.557 1.376 23.586 1.00 0.00 N ATOM 31 CA GLY A 4 -5.105 0.019 23.328 1.00 0.00 C ATOM 32 C GLY A 4 -5.169 -0.306 21.834 1.00 0.00 C ATOM 33 O GLY A 4 -6.084 0.132 21.139 1.00 0.00 O ATOM 0 H GLY A 4 -5.208 2.074 22.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.083 -0.102 23.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.723 -0.686 23.884 1.00 0.00 H new ATOM 37 N SER A 5 -4.185 -1.071 21.385 1.00 0.00 N ATOM 38 CA SER A 5 -4.117 -1.460 19.987 1.00 0.00 C ATOM 39 C SER A 5 -2.830 -2.242 19.723 1.00 0.00 C ATOM 40 O SER A 5 -1.745 -1.808 20.108 1.00 0.00 O ATOM 41 CB SER A 5 -4.193 -0.236 19.071 1.00 0.00 C ATOM 42 OG SER A 5 -5.464 -0.120 18.439 1.00 0.00 O ATOM 0 H SER A 5 -3.428 -1.432 21.965 1.00 0.00 H new ATOM 0 HA SER A 5 -4.973 -2.098 19.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.994 0.664 19.652 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.415 -0.303 18.311 1.00 0.00 H new ATOM 0 HG SER A 5 -6.151 0.056 19.115 1.00 0.00 H new ATOM 48 N SER A 6 -2.992 -3.382 19.067 1.00 0.00 N ATOM 49 CA SER A 6 -1.855 -4.229 18.747 1.00 0.00 C ATOM 50 C SER A 6 -2.294 -5.364 17.819 1.00 0.00 C ATOM 51 O SER A 6 -3.488 -5.610 17.654 1.00 0.00 O ATOM 52 CB SER A 6 -1.217 -4.798 20.016 1.00 0.00 C ATOM 53 OG SER A 6 0.192 -4.957 19.879 1.00 0.00 O ATOM 0 H SER A 6 -3.893 -3.739 18.748 1.00 0.00 H new ATOM 0 HA SER A 6 -1.107 -3.620 18.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.427 -4.136 20.856 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.670 -5.762 20.249 1.00 0.00 H new ATOM 0 HG SER A 6 0.563 -5.321 20.710 1.00 0.00 H new ATOM 59 N GLY A 7 -1.304 -6.025 17.236 1.00 0.00 N ATOM 60 CA GLY A 7 -1.573 -7.127 16.329 1.00 0.00 C ATOM 61 C GLY A 7 -0.405 -7.340 15.363 1.00 0.00 C ATOM 62 O GLY A 7 0.073 -6.391 14.743 1.00 0.00 O ATOM 0 H GLY A 7 -0.315 -5.818 17.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.748 -8.039 16.900 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.484 -6.925 15.765 1.00 0.00 H new ATOM 66 N ALA A 8 0.021 -8.591 15.267 1.00 0.00 N ATOM 67 CA ALA A 8 1.124 -8.940 14.388 1.00 0.00 C ATOM 68 C ALA A 8 1.109 -10.448 14.132 1.00 0.00 C ATOM 69 O ALA A 8 0.815 -11.232 15.034 1.00 0.00 O ATOM 70 CB ALA A 8 2.441 -8.467 15.008 1.00 0.00 C ATOM 0 H ALA A 8 -0.378 -9.375 15.783 1.00 0.00 H new ATOM 0 HA ALA A 8 1.019 -8.441 13.425 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.268 -8.729 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.412 -7.386 15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.582 -8.949 15.975 1.00 0.00 H new ATOM 76 N THR A 9 1.428 -10.810 12.898 1.00 0.00 N ATOM 77 CA THR A 9 1.455 -12.211 12.512 1.00 0.00 C ATOM 78 C THR A 9 2.279 -12.397 11.236 1.00 0.00 C ATOM 79 O THR A 9 1.725 -12.487 10.142 1.00 0.00 O ATOM 80 CB THR A 9 0.009 -12.691 12.376 1.00 0.00 C ATOM 81 OG1 THR A 9 -0.441 -12.825 13.722 1.00 0.00 O ATOM 82 CG2 THR A 9 -0.087 -14.109 11.809 1.00 0.00 C ATOM 0 H THR A 9 1.670 -10.157 12.152 1.00 0.00 H new ATOM 0 HA THR A 9 1.946 -12.821 13.270 1.00 0.00 H new ATOM 0 HB THR A 9 -0.541 -12.005 11.733 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.311 -12.681 14.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.135 -14.400 11.733 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.370 -14.137 10.820 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.435 -14.801 12.470 1.00 0.00 H new ATOM 90 N LEU A 10 3.590 -12.449 11.420 1.00 0.00 N ATOM 91 CA LEU A 10 4.497 -12.623 10.298 1.00 0.00 C ATOM 92 C LEU A 10 4.689 -14.117 10.030 1.00 0.00 C ATOM 93 O LEU A 10 4.858 -14.902 10.962 1.00 0.00 O ATOM 94 CB LEU A 10 5.805 -11.869 10.544 1.00 0.00 C ATOM 95 CG LEU A 10 5.683 -10.354 10.721 1.00 0.00 C ATOM 96 CD1 LEU A 10 6.716 -9.834 11.723 1.00 0.00 C ATOM 97 CD2 LEU A 10 5.778 -9.635 9.374 1.00 0.00 C ATOM 0 H LEU A 10 4.046 -12.374 12.329 1.00 0.00 H new ATOM 0 HA LEU A 10 4.071 -12.189 9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.277 -12.282 11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.477 -12.064 9.708 1.00 0.00 H new ATOM 0 HG LEU A 10 4.697 -10.137 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.608 -8.755 11.830 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.558 -10.312 12.690 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.719 -10.064 11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.688 -8.560 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.739 -9.856 8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.974 -9.976 8.722 1.00 0.00 H new ATOM 109 N LYS A 11 4.657 -14.465 8.752 1.00 0.00 N ATOM 110 CA LYS A 11 4.826 -15.851 8.349 1.00 0.00 C ATOM 111 C LYS A 11 5.472 -15.900 6.963 1.00 0.00 C ATOM 112 O LYS A 11 5.893 -14.873 6.434 1.00 0.00 O ATOM 113 CB LYS A 11 3.495 -16.600 8.435 1.00 0.00 C ATOM 114 CG LYS A 11 3.368 -17.344 9.766 1.00 0.00 C ATOM 115 CD LYS A 11 1.991 -17.116 10.392 1.00 0.00 C ATOM 116 CE LYS A 11 1.340 -18.444 10.784 1.00 0.00 C ATOM 117 NZ LYS A 11 1.990 -19.003 11.990 1.00 0.00 N ATOM 0 H LYS A 11 4.517 -13.811 7.982 1.00 0.00 H new ATOM 0 HA LYS A 11 5.500 -16.367 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.670 -15.896 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.418 -17.308 7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.527 -18.411 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.144 -17.005 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.089 -16.481 11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.350 -16.587 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.277 -18.293 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.419 -19.152 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.536 -19.904 12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.999 -19.165 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.892 -18.333 12.779 1.00 0.00 H new ATOM 131 N GLN A 12 5.529 -17.105 6.415 1.00 0.00 N ATOM 132 CA GLN A 12 6.116 -17.302 5.100 1.00 0.00 C ATOM 133 C GLN A 12 5.022 -17.570 4.065 1.00 0.00 C ATOM 134 O GLN A 12 4.750 -18.722 3.729 1.00 0.00 O ATOM 135 CB GLN A 12 7.142 -18.437 5.122 1.00 0.00 C ATOM 136 CG GLN A 12 8.560 -17.899 4.919 1.00 0.00 C ATOM 137 CD GLN A 12 9.509 -19.012 4.472 1.00 0.00 C ATOM 138 OE1 GLN A 12 9.154 -20.178 4.407 1.00 0.00 O ATOM 139 NE2 GLN A 12 10.734 -18.590 4.170 1.00 0.00 N ATOM 0 H GLN A 12 5.178 -17.955 6.857 1.00 0.00 H new ATOM 0 HA GLN A 12 6.640 -16.389 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.083 -18.967 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.908 -19.159 4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.548 -17.105 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.922 -17.458 5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.965 -17.600 4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.442 -19.257 3.862 1.00 0.00 H new ATOM 148 N LEU A 13 4.424 -16.488 3.588 1.00 0.00 N ATOM 149 CA LEU A 13 3.366 -16.593 2.598 1.00 0.00 C ATOM 150 C LEU A 13 2.806 -15.199 2.308 1.00 0.00 C ATOM 151 O LEU A 13 3.169 -14.229 2.971 1.00 0.00 O ATOM 152 CB LEU A 13 2.307 -17.600 3.051 1.00 0.00 C ATOM 153 CG LEU A 13 2.101 -17.723 4.562 1.00 0.00 C ATOM 154 CD1 LEU A 13 2.453 -16.415 5.272 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.679 -18.186 4.885 1.00 0.00 C ATOM 0 H LEU A 13 4.652 -15.534 3.869 1.00 0.00 H new ATOM 0 HA LEU A 13 3.759 -16.981 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.355 -17.326 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.576 -18.581 2.660 1.00 0.00 H new ATOM 0 HG LEU A 13 2.782 -18.486 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.298 -16.530 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.497 -16.167 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.815 -15.614 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.559 -18.265 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.037 -17.464 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.501 -19.159 4.428 1.00 0.00 H new ATOM 167 N ASP A 14 1.929 -15.143 1.316 1.00 0.00 N ATOM 168 CA ASP A 14 1.315 -13.884 0.930 1.00 0.00 C ATOM 169 C ASP A 14 2.330 -13.043 0.153 1.00 0.00 C ATOM 170 O ASP A 14 2.193 -12.857 -1.055 1.00 0.00 O ATOM 171 CB ASP A 14 0.880 -13.084 2.159 1.00 0.00 C ATOM 172 CG ASP A 14 -0.578 -12.619 2.144 1.00 0.00 C ATOM 173 OD1 ASP A 14 -1.386 -13.305 1.483 1.00 0.00 O ATOM 174 OD2 ASP A 14 -0.850 -11.587 2.795 1.00 0.00 O ATOM 0 H ASP A 14 1.629 -15.949 0.768 1.00 0.00 H new ATOM 0 HA ASP A 14 0.441 -14.109 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.042 -13.694 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.524 -12.209 2.251 1.00 0.00 H new ATOM 179 N GLY A 15 3.327 -12.559 0.879 1.00 0.00 N ATOM 180 CA GLY A 15 4.365 -11.742 0.273 1.00 0.00 C ATOM 181 C GLY A 15 4.047 -10.253 0.420 1.00 0.00 C ATOM 182 O GLY A 15 4.575 -9.425 -0.321 1.00 0.00 O ATOM 0 H GLY A 15 3.438 -12.717 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.325 -11.960 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.461 -11.994 -0.783 1.00 0.00 H new ATOM 186 N ILE A 16 3.184 -9.957 1.381 1.00 0.00 N ATOM 187 CA ILE A 16 2.789 -8.582 1.635 1.00 0.00 C ATOM 188 C ILE A 16 3.788 -7.938 2.598 1.00 0.00 C ATOM 189 O ILE A 16 4.233 -8.573 3.553 1.00 0.00 O ATOM 190 CB ILE A 16 1.340 -8.522 2.121 1.00 0.00 C ATOM 191 CG1 ILE A 16 0.441 -9.431 1.281 1.00 0.00 C ATOM 192 CG2 ILE A 16 0.830 -7.079 2.149 1.00 0.00 C ATOM 193 CD1 ILE A 16 0.465 -9.016 -0.192 1.00 0.00 C ATOM 0 H ILE A 16 2.747 -10.646 1.993 1.00 0.00 H new ATOM 0 HA ILE A 16 2.816 -8.002 0.713 1.00 0.00 H new ATOM 0 HB ILE A 16 1.308 -8.895 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.772 -10.465 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.581 -9.387 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.202 -7.065 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.449 -6.487 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.880 -6.656 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.182 -9.678 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.110 -7.990 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.484 -9.084 -0.573 1.00 0.00 H new ATOM 205 N HIS A 17 4.111 -6.684 2.315 1.00 0.00 N ATOM 206 CA HIS A 17 5.050 -5.947 3.144 1.00 0.00 C ATOM 207 C HIS A 17 4.443 -4.597 3.530 1.00 0.00 C ATOM 208 O HIS A 17 4.101 -3.795 2.662 1.00 0.00 O ATOM 209 CB HIS A 17 6.403 -5.811 2.444 1.00 0.00 C ATOM 210 CG HIS A 17 7.562 -5.586 3.385 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.073 -6.583 4.197 1.00 0.00 N ATOM 212 CD2 HIS A 17 8.304 -4.468 3.635 1.00 0.00 C ATOM 213 CE1 HIS A 17 9.076 -6.078 4.899 1.00 0.00 C ATOM 214 NE2 HIS A 17 9.217 -4.767 4.550 1.00 0.00 N ATOM 0 H HIS A 17 3.739 -6.160 1.523 1.00 0.00 H new ATOM 0 HA HIS A 17 5.238 -6.498 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.591 -6.713 1.861 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.354 -4.981 1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.171 -3.504 3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.677 -6.611 5.621 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.910 -4.123 4.930 1.00 0.00 H new ATOM 222 N VAL A 18 4.327 -4.387 4.833 1.00 0.00 N ATOM 223 CA VAL A 18 3.768 -3.148 5.345 1.00 0.00 C ATOM 224 C VAL A 18 4.902 -2.163 5.637 1.00 0.00 C ATOM 225 O VAL A 18 5.959 -2.556 6.129 1.00 0.00 O ATOM 226 CB VAL A 18 2.894 -3.433 6.568 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.587 -2.146 7.335 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.605 -4.152 6.165 1.00 0.00 C ATOM 0 H VAL A 18 4.611 -5.055 5.550 1.00 0.00 H new ATOM 0 HA VAL A 18 3.120 -2.686 4.600 1.00 0.00 H new ATOM 0 HB VAL A 18 3.452 -4.093 7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.964 -2.377 8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.519 -1.691 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.058 -1.451 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.002 -4.343 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.042 -3.528 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.852 -5.098 5.684 1.00 0.00 H new ATOM 238 N THR A 19 4.644 -0.902 5.321 1.00 0.00 N ATOM 239 CA THR A 19 5.631 0.141 5.544 1.00 0.00 C ATOM 240 C THR A 19 5.002 1.317 6.294 1.00 0.00 C ATOM 241 O THR A 19 3.979 1.852 5.871 1.00 0.00 O ATOM 242 CB THR A 19 6.221 0.531 4.187 1.00 0.00 C ATOM 243 OG1 THR A 19 7.419 -0.235 4.097 1.00 0.00 O ATOM 244 CG2 THR A 19 6.703 1.983 4.154 1.00 0.00 C ATOM 0 H THR A 19 3.767 -0.579 4.913 1.00 0.00 H new ATOM 0 HA THR A 19 6.444 -0.212 6.179 1.00 0.00 H new ATOM 0 HB THR A 19 5.473 0.379 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.127 0.311 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.112 2.208 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.865 2.649 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.475 2.127 4.910 1.00 0.00 H new ATOM 252 N ILE A 20 5.642 1.686 7.394 1.00 0.00 N ATOM 253 CA ILE A 20 5.159 2.789 8.207 1.00 0.00 C ATOM 254 C ILE A 20 6.009 4.030 7.932 1.00 0.00 C ATOM 255 O ILE A 20 7.168 4.097 8.341 1.00 0.00 O ATOM 256 CB ILE A 20 5.115 2.388 9.683 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.191 1.187 9.898 1.00 0.00 C ATOM 258 CG2 ILE A 20 4.725 3.577 10.563 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.734 1.560 9.617 1.00 0.00 C ATOM 0 H ILE A 20 6.491 1.240 7.741 1.00 0.00 H new ATOM 0 HA ILE A 20 4.133 3.039 7.938 1.00 0.00 H new ATOM 0 HB ILE A 20 6.117 2.081 9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.493 0.369 9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.287 0.828 10.923 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.701 3.265 11.607 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.456 4.376 10.440 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.739 3.939 10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.098 0.689 9.777 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.428 2.362 10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.637 1.895 8.584 1.00 0.00 H new ATOM 271 N LEU A 21 5.401 4.984 7.242 1.00 0.00 N ATOM 272 CA LEU A 21 6.089 6.219 6.907 1.00 0.00 C ATOM 273 C LEU A 21 5.886 7.232 8.036 1.00 0.00 C ATOM 274 O LEU A 21 4.755 7.508 8.432 1.00 0.00 O ATOM 275 CB LEU A 21 5.639 6.729 5.536 1.00 0.00 C ATOM 276 CG LEU A 21 6.707 6.741 4.441 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.537 5.456 4.470 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.082 6.990 3.067 1.00 0.00 C ATOM 0 H LEU A 21 4.440 4.926 6.906 1.00 0.00 H new ATOM 0 HA LEU A 21 7.162 6.046 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.806 6.113 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.258 7.743 5.655 1.00 0.00 H new ATOM 0 HG LEU A 21 7.389 7.568 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.289 5.491 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.030 5.363 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.884 4.598 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.863 6.994 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.364 6.200 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.573 7.954 3.068 1.00 0.00 H new ATOM 290 N HIS A 22 7.001 7.759 8.522 1.00 0.00 N ATOM 291 CA HIS A 22 6.960 8.735 9.598 1.00 0.00 C ATOM 292 C HIS A 22 7.216 10.133 9.032 1.00 0.00 C ATOM 293 O HIS A 22 8.349 10.472 8.695 1.00 0.00 O ATOM 294 CB HIS A 22 7.939 8.358 10.711 1.00 0.00 C ATOM 295 CG HIS A 22 7.972 6.881 11.026 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.223 6.314 12.042 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.670 5.862 10.447 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.468 5.012 12.065 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.365 4.734 11.076 1.00 0.00 N ATOM 0 H HIS A 22 7.938 7.529 8.190 1.00 0.00 H new ATOM 0 HA HIS A 22 5.969 8.740 10.052 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.940 8.680 10.425 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.674 8.906 11.615 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.355 5.957 9.617 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.034 4.296 12.747 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.740 3.811 10.856 1.00 0.00 H new ATOM 307 N LYS A 23 6.144 10.907 8.944 1.00 0.00 N ATOM 308 CA LYS A 23 6.238 12.260 8.425 1.00 0.00 C ATOM 309 C LYS A 23 5.370 13.190 9.275 1.00 0.00 C ATOM 310 O LYS A 23 4.666 12.736 10.176 1.00 0.00 O ATOM 311 CB LYS A 23 5.892 12.288 6.935 1.00 0.00 C ATOM 312 CG LYS A 23 4.382 12.166 6.720 1.00 0.00 C ATOM 313 CD LYS A 23 4.025 10.822 6.083 1.00 0.00 C ATOM 314 CE LYS A 23 2.511 10.676 5.922 1.00 0.00 C ATOM 315 NZ LYS A 23 1.829 10.896 7.217 1.00 0.00 N ATOM 0 H LYS A 23 5.205 10.622 9.224 1.00 0.00 H new ATOM 0 HA LYS A 23 7.263 12.625 8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.252 13.216 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.403 11.472 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.866 12.268 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.035 12.978 6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.508 10.738 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.409 10.010 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.147 11.393 5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.274 9.682 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.981 10.297 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.474 10.651 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.553 11.895 7.298 1.00 0.00 H new ATOM 329 N GLU A 24 5.448 14.474 8.958 1.00 0.00 N ATOM 330 CA GLU A 24 4.678 15.471 9.682 1.00 0.00 C ATOM 331 C GLU A 24 3.320 15.685 9.009 1.00 0.00 C ATOM 332 O GLU A 24 3.109 15.251 7.877 1.00 0.00 O ATOM 333 CB GLU A 24 5.449 16.788 9.789 1.00 0.00 C ATOM 334 CG GLU A 24 6.578 16.680 10.817 1.00 0.00 C ATOM 335 CD GLU A 24 6.941 18.056 11.379 1.00 0.00 C ATOM 336 OE1 GLU A 24 7.261 18.939 10.554 1.00 0.00 O ATOM 337 OE2 GLU A 24 6.891 18.193 12.620 1.00 0.00 O ATOM 0 H GLU A 24 6.032 14.847 8.210 1.00 0.00 H new ATOM 0 HA GLU A 24 4.507 15.104 10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.863 17.052 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.768 17.590 10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.273 16.020 11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.455 16.230 10.353 1.00 0.00 H new ATOM 344 N GLU A 25 2.435 16.353 9.733 1.00 0.00 N ATOM 345 CA GLU A 25 1.104 16.630 9.220 1.00 0.00 C ATOM 346 C GLU A 25 1.193 17.393 7.897 1.00 0.00 C ATOM 347 O GLU A 25 1.455 18.595 7.887 1.00 0.00 O ATOM 348 CB GLU A 25 0.271 17.402 10.245 1.00 0.00 C ATOM 349 CG GLU A 25 -0.487 16.447 11.169 1.00 0.00 C ATOM 350 CD GLU A 25 -0.670 17.058 12.559 1.00 0.00 C ATOM 351 OE1 GLU A 25 -1.615 17.863 12.706 1.00 0.00 O ATOM 352 OE2 GLU A 25 0.140 16.707 13.444 1.00 0.00 O ATOM 0 H GLU A 25 2.613 16.711 10.671 1.00 0.00 H new ATOM 0 HA GLU A 25 0.602 15.680 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.922 18.046 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.436 18.052 9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.461 16.216 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.057 15.506 11.250 1.00 0.00 H new ATOM 359 N GLY A 26 0.969 16.664 6.814 1.00 0.00 N ATOM 360 CA GLY A 26 1.020 17.258 5.489 1.00 0.00 C ATOM 361 C GLY A 26 2.451 17.266 4.947 1.00 0.00 C ATOM 362 O GLY A 26 2.808 18.124 4.140 1.00 0.00 O ATOM 0 H GLY A 26 0.752 15.667 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.374 16.700 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.636 18.278 5.528 1.00 0.00 H new ATOM 366 N ALA A 27 3.231 16.301 5.411 1.00 0.00 N ATOM 367 CA ALA A 27 4.615 16.186 4.983 1.00 0.00 C ATOM 368 C ALA A 27 4.672 15.424 3.657 1.00 0.00 C ATOM 369 O ALA A 27 5.535 15.690 2.822 1.00 0.00 O ATOM 370 CB ALA A 27 5.434 15.507 6.082 1.00 0.00 C ATOM 0 H ALA A 27 2.931 15.591 6.079 1.00 0.00 H new ATOM 0 HA ALA A 27 5.049 17.172 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.472 15.421 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.384 16.103 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.030 14.513 6.275 1.00 0.00 H new ATOM 376 N GLY A 28 3.742 14.493 3.506 1.00 0.00 N ATOM 377 CA GLY A 28 3.676 13.691 2.296 1.00 0.00 C ATOM 378 C GLY A 28 4.494 12.407 2.445 1.00 0.00 C ATOM 379 O GLY A 28 5.337 12.302 3.335 1.00 0.00 O ATOM 0 H GLY A 28 3.028 14.276 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.638 13.442 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.050 14.269 1.451 1.00 0.00 H new ATOM 383 N LEU A 29 4.218 11.461 1.559 1.00 0.00 N ATOM 384 CA LEU A 29 4.918 10.188 1.580 1.00 0.00 C ATOM 385 C LEU A 29 6.128 10.261 0.647 1.00 0.00 C ATOM 386 O LEU A 29 7.183 9.703 0.947 1.00 0.00 O ATOM 387 CB LEU A 29 3.958 9.043 1.253 1.00 0.00 C ATOM 388 CG LEU A 29 2.494 9.265 1.638 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.601 8.167 1.055 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.338 9.384 3.155 1.00 0.00 C ATOM 0 H LEU A 29 3.519 11.551 0.822 1.00 0.00 H new ATOM 0 HA LEU A 29 5.298 9.979 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.006 8.850 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.313 8.143 1.755 1.00 0.00 H new ATOM 0 HG LEU A 29 2.167 10.210 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.566 8.349 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.681 8.172 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.920 7.197 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.288 9.541 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.689 8.468 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.926 10.228 3.516 1.00 0.00 H new ATOM 402 N GLY A 30 5.937 10.954 -0.466 1.00 0.00 N ATOM 403 CA GLY A 30 6.999 11.107 -1.445 1.00 0.00 C ATOM 404 C GLY A 30 6.608 10.476 -2.783 1.00 0.00 C ATOM 405 O GLY A 30 7.354 10.564 -3.757 1.00 0.00 O ATOM 0 H GLY A 30 5.061 11.416 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.217 12.165 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.911 10.642 -1.072 1.00 0.00 H new ATOM 409 N PHE A 31 5.438 9.853 -2.787 1.00 0.00 N ATOM 410 CA PHE A 31 4.939 9.208 -3.989 1.00 0.00 C ATOM 411 C PHE A 31 3.449 9.494 -4.186 1.00 0.00 C ATOM 412 O PHE A 31 2.785 9.998 -3.282 1.00 0.00 O ATOM 413 CB PHE A 31 5.137 7.702 -3.804 1.00 0.00 C ATOM 414 CG PHE A 31 4.131 7.055 -2.849 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.308 7.155 -1.505 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.060 6.380 -3.346 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.375 6.555 -0.619 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.126 5.780 -2.460 1.00 0.00 C ATOM 419 CZ PHE A 31 2.303 5.880 -1.116 1.00 0.00 C ATOM 0 H PHE A 31 4.822 9.782 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 31 5.473 9.584 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.065 7.214 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.145 7.522 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.159 7.691 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.920 6.300 -4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.516 6.634 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.275 5.244 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.593 5.424 -0.442 1.00 0.00 H new ATOM 429 N SER A 32 2.967 9.160 -5.374 1.00 0.00 N ATOM 430 CA SER A 32 1.568 9.374 -5.702 1.00 0.00 C ATOM 431 C SER A 32 0.909 8.046 -6.079 1.00 0.00 C ATOM 432 O SER A 32 1.572 7.011 -6.124 1.00 0.00 O ATOM 433 CB SER A 32 1.417 10.383 -6.842 1.00 0.00 C ATOM 434 OG SER A 32 0.683 9.845 -7.938 1.00 0.00 O ATOM 0 H SER A 32 3.521 8.742 -6.122 1.00 0.00 H new ATOM 0 HA SER A 32 1.070 9.783 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.913 11.276 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.404 10.693 -7.184 1.00 0.00 H new ATOM 0 HG SER A 32 0.607 10.520 -8.644 1.00 0.00 H new ATOM 440 N LEU A 33 -0.388 8.118 -6.340 1.00 0.00 N ATOM 441 CA LEU A 33 -1.144 6.934 -6.711 1.00 0.00 C ATOM 442 C LEU A 33 -1.342 6.916 -8.228 1.00 0.00 C ATOM 443 O LEU A 33 -1.271 7.957 -8.880 1.00 0.00 O ATOM 444 CB LEU A 33 -2.452 6.863 -5.920 1.00 0.00 C ATOM 445 CG LEU A 33 -2.311 6.742 -4.401 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.512 6.014 -3.795 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.986 6.074 -4.025 1.00 0.00 C ATOM 0 H LEU A 33 -0.935 8.978 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.591 6.032 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.036 7.756 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.026 6.010 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.297 7.747 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.386 5.942 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.424 6.568 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.583 5.013 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.911 6.000 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.945 5.076 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.157 6.670 -4.406 1.00 0.00 H new ATOM 459 N ALA A 34 -1.586 5.721 -8.747 1.00 0.00 N ATOM 460 CA ALA A 34 -1.794 5.553 -10.175 1.00 0.00 C ATOM 461 C ALA A 34 -2.908 4.530 -10.407 1.00 0.00 C ATOM 462 O ALA A 34 -3.096 3.619 -9.602 1.00 0.00 O ATOM 463 CB ALA A 34 -0.478 5.143 -10.838 1.00 0.00 C ATOM 0 H ALA A 34 -1.644 4.860 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.109 6.492 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.634 5.017 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.271 5.917 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.132 4.203 -10.409 1.00 0.00 H new ATOM 469 N GLY A 35 -3.617 4.715 -11.510 1.00 0.00 N ATOM 470 CA GLY A 35 -4.707 3.819 -11.858 1.00 0.00 C ATOM 471 C GLY A 35 -5.978 4.176 -11.085 1.00 0.00 C ATOM 472 O GLY A 35 -5.970 5.086 -10.256 1.00 0.00 O ATOM 0 H GLY A 35 -3.458 5.472 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.901 3.875 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.421 2.790 -11.639 1.00 0.00 H new ATOM 476 N GLY A 36 -7.040 3.441 -11.382 1.00 0.00 N ATOM 477 CA GLY A 36 -8.316 3.669 -10.725 1.00 0.00 C ATOM 478 C GLY A 36 -9.330 2.590 -11.109 1.00 0.00 C ATOM 479 O GLY A 36 -8.961 1.553 -11.659 1.00 0.00 O ATOM 0 H GLY A 36 -7.043 2.687 -12.069 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.177 3.674 -9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.701 4.650 -11.002 1.00 0.00 H new ATOM 483 N ALA A 37 -10.588 2.870 -10.803 1.00 0.00 N ATOM 484 CA ALA A 37 -11.659 1.936 -11.108 1.00 0.00 C ATOM 485 C ALA A 37 -12.099 2.130 -12.561 1.00 0.00 C ATOM 486 O ALA A 37 -12.344 1.158 -13.274 1.00 0.00 O ATOM 487 CB ALA A 37 -12.808 2.135 -10.118 1.00 0.00 C ATOM 0 H ALA A 37 -10.890 3.731 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.314 0.907 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.611 1.434 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.450 1.957 -9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.183 3.155 -10.196 1.00 0.00 H new ATOM 493 N ASP A 38 -12.188 3.392 -12.955 1.00 0.00 N ATOM 494 CA ASP A 38 -12.595 3.725 -14.310 1.00 0.00 C ATOM 495 C ASP A 38 -11.456 3.392 -15.276 1.00 0.00 C ATOM 496 O ASP A 38 -11.677 3.265 -16.480 1.00 0.00 O ATOM 497 CB ASP A 38 -12.904 5.218 -14.440 1.00 0.00 C ATOM 498 CG ASP A 38 -12.823 5.773 -15.863 1.00 0.00 C ATOM 499 OD1 ASP A 38 -13.729 5.437 -16.656 1.00 0.00 O ATOM 500 OD2 ASP A 38 -11.857 6.522 -16.126 1.00 0.00 O ATOM 0 H ASP A 38 -11.985 4.196 -12.360 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.490 3.149 -14.545 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.905 5.402 -14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.210 5.774 -13.809 1.00 0.00 H new ATOM 505 N LEU A 39 -10.264 3.261 -14.713 1.00 0.00 N ATOM 506 CA LEU A 39 -9.091 2.946 -15.510 1.00 0.00 C ATOM 507 C LEU A 39 -9.037 1.436 -15.756 1.00 0.00 C ATOM 508 O LEU A 39 -9.944 0.706 -15.358 1.00 0.00 O ATOM 509 CB LEU A 39 -7.829 3.507 -14.852 1.00 0.00 C ATOM 510 CG LEU A 39 -7.716 5.032 -14.811 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.894 5.650 -14.057 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.370 5.467 -14.227 1.00 0.00 C ATOM 0 H LEU A 39 -10.085 3.367 -13.714 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.154 3.427 -16.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.778 3.131 -13.830 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.961 3.112 -15.381 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.759 5.404 -15.835 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.788 6.735 -14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.826 5.383 -14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.909 5.274 -13.034 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.316 6.556 -14.209 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.272 5.082 -13.212 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.562 5.073 -14.843 1.00 0.00 H new ATOM 524 N GLU A 40 -7.966 1.013 -16.410 1.00 0.00 N ATOM 525 CA GLU A 40 -7.782 -0.396 -16.713 1.00 0.00 C ATOM 526 C GLU A 40 -7.238 -1.135 -15.489 1.00 0.00 C ATOM 527 O GLU A 40 -7.584 -2.292 -15.254 1.00 0.00 O ATOM 528 CB GLU A 40 -6.860 -0.581 -17.920 1.00 0.00 C ATOM 529 CG GLU A 40 -7.466 0.051 -19.175 1.00 0.00 C ATOM 530 CD GLU A 40 -7.688 -1.000 -20.265 1.00 0.00 C ATOM 531 OE1 GLU A 40 -8.470 -1.937 -19.999 1.00 0.00 O ATOM 532 OE2 GLU A 40 -7.070 -0.841 -21.340 1.00 0.00 O ATOM 0 H GLU A 40 -7.216 1.621 -16.739 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.752 -0.823 -16.969 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.890 -0.130 -17.713 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.687 -1.644 -18.091 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.414 0.527 -18.925 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.805 0.833 -19.548 1.00 0.00 H new ATOM 539 N ASN A 41 -6.395 -0.438 -14.742 1.00 0.00 N ATOM 540 CA ASN A 41 -5.801 -1.014 -13.548 1.00 0.00 C ATOM 541 C ASN A 41 -6.718 -0.757 -12.351 1.00 0.00 C ATOM 542 O ASN A 41 -6.559 0.238 -11.645 1.00 0.00 O ATOM 543 CB ASN A 41 -4.442 -0.377 -13.247 1.00 0.00 C ATOM 544 CG ASN A 41 -4.510 1.146 -13.377 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.570 1.750 -13.362 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.322 1.731 -13.504 1.00 0.00 N ATOM 0 H ASN A 41 -6.109 0.521 -14.941 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.670 -2.082 -13.719 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.125 -0.646 -12.239 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.692 -0.771 -13.933 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.260 2.745 -13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.473 1.166 -13.509 1.00 0.00 H new ATOM 553 N LYS A 42 -7.658 -1.671 -12.160 1.00 0.00 N ATOM 554 CA LYS A 42 -8.602 -1.555 -11.061 1.00 0.00 C ATOM 555 C LYS A 42 -7.832 -1.372 -9.751 1.00 0.00 C ATOM 556 O LYS A 42 -8.318 -0.720 -8.828 1.00 0.00 O ATOM 557 CB LYS A 42 -9.559 -2.748 -11.049 1.00 0.00 C ATOM 558 CG LYS A 42 -10.705 -2.523 -10.061 1.00 0.00 C ATOM 559 CD LYS A 42 -11.633 -1.405 -10.542 1.00 0.00 C ATOM 560 CE LYS A 42 -13.048 -1.934 -10.784 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.970 -0.821 -11.102 1.00 0.00 N ATOM 0 H LYS A 42 -7.786 -2.495 -12.747 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.230 -0.673 -11.189 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.962 -2.905 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.014 -3.653 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.273 -3.446 -9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.301 -2.268 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.661 -0.607 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.240 -0.972 -11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.039 -2.652 -11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.400 -2.465 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.780 -1.185 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.310 -0.389 -10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.469 -0.106 -11.667 1.00 0.00 H new ATOM 575 N VAL A 43 -6.645 -1.958 -9.713 1.00 0.00 N ATOM 576 CA VAL A 43 -5.803 -1.868 -8.531 1.00 0.00 C ATOM 577 C VAL A 43 -4.836 -0.693 -8.689 1.00 0.00 C ATOM 578 O VAL A 43 -3.961 -0.716 -9.553 1.00 0.00 O ATOM 579 CB VAL A 43 -5.091 -3.201 -8.292 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.298 -3.628 -9.529 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.188 -3.126 -7.060 1.00 0.00 C ATOM 0 H VAL A 43 -6.246 -2.497 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.408 -1.675 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.851 -3.959 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.802 -4.578 -9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.976 -3.741 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.551 -2.869 -9.762 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.694 -4.086 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.437 -2.350 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.789 -2.889 -6.182 1.00 0.00 H new ATOM 591 N ILE A 44 -5.026 0.307 -7.840 1.00 0.00 N ATOM 592 CA ILE A 44 -4.181 1.488 -7.874 1.00 0.00 C ATOM 593 C ILE A 44 -2.731 1.081 -7.602 1.00 0.00 C ATOM 594 O ILE A 44 -2.472 0.219 -6.764 1.00 0.00 O ATOM 595 CB ILE A 44 -4.711 2.554 -6.913 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.887 3.314 -7.531 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.591 3.496 -6.467 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.100 2.398 -7.708 1.00 0.00 C ATOM 0 H ILE A 44 -5.753 0.323 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.204 1.944 -8.864 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.085 2.053 -6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.154 4.158 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.592 3.724 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.995 4.244 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.815 2.924 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.165 3.993 -7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.921 2.963 -8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.837 1.568 -8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.407 2.009 -6.737 1.00 0.00 H new ATOM 610 N THR A 45 -1.825 1.722 -8.325 1.00 0.00 N ATOM 611 CA THR A 45 -0.408 1.437 -8.172 1.00 0.00 C ATOM 612 C THR A 45 0.370 2.728 -7.909 1.00 0.00 C ATOM 613 O THR A 45 -0.204 3.816 -7.921 1.00 0.00 O ATOM 614 CB THR A 45 0.061 0.688 -9.421 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.656 1.305 -10.486 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.414 -0.766 -9.445 1.00 0.00 C ATOM 0 H THR A 45 -2.044 2.438 -9.018 1.00 0.00 H new ATOM 0 HA THR A 45 -0.223 0.801 -7.306 1.00 0.00 H new ATOM 0 HB THR A 45 1.149 0.715 -9.472 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.410 0.881 -11.335 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.054 -1.252 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.024 -1.291 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.504 -0.793 -9.427 1.00 0.00 H new ATOM 624 N VAL A 46 1.664 2.565 -7.679 1.00 0.00 N ATOM 625 CA VAL A 46 2.527 3.704 -7.414 1.00 0.00 C ATOM 626 C VAL A 46 2.852 4.409 -8.732 1.00 0.00 C ATOM 627 O VAL A 46 3.672 3.929 -9.512 1.00 0.00 O ATOM 628 CB VAL A 46 3.775 3.249 -6.655 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.692 4.435 -6.348 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.398 2.501 -5.375 1.00 0.00 C ATOM 0 H VAL A 46 2.136 1.661 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 46 2.020 4.427 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 46 4.323 2.558 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.572 4.085 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.002 4.906 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.156 5.161 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.304 2.189 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.816 3.158 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.804 1.623 -5.628 1.00 0.00 H new ATOM 640 N HIS A 47 2.191 5.539 -8.940 1.00 0.00 N ATOM 641 CA HIS A 47 2.399 6.316 -10.150 1.00 0.00 C ATOM 642 C HIS A 47 3.876 6.699 -10.266 1.00 0.00 C ATOM 643 O HIS A 47 4.546 6.319 -11.225 1.00 0.00 O ATOM 644 CB HIS A 47 1.467 7.529 -10.184 1.00 0.00 C ATOM 645 CG HIS A 47 1.524 8.310 -11.475 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.956 9.565 -11.617 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.087 8.004 -12.679 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.173 9.984 -12.855 1.00 0.00 C ATOM 649 NE2 HIS A 47 1.873 9.015 -13.512 1.00 0.00 N ATOM 0 H HIS A 47 1.511 5.935 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 47 2.146 5.713 -11.022 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.443 7.193 -10.019 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.721 8.193 -9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.617 7.093 -12.915 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.852 10.927 -13.271 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.181 9.060 -14.483 1.00 0.00 H new ATOM 657 N ARG A 48 4.340 7.447 -9.276 1.00 0.00 N ATOM 658 CA ARG A 48 5.724 7.885 -9.255 1.00 0.00 C ATOM 659 C ARG A 48 6.210 8.040 -7.812 1.00 0.00 C ATOM 660 O ARG A 48 5.409 8.244 -6.902 1.00 0.00 O ATOM 661 CB ARG A 48 5.891 9.218 -9.987 1.00 0.00 C ATOM 662 CG ARG A 48 6.642 9.028 -11.307 1.00 0.00 C ATOM 663 CD ARG A 48 5.685 9.100 -12.498 1.00 0.00 C ATOM 664 NE ARG A 48 6.434 9.433 -13.730 1.00 0.00 N ATOM 665 CZ ARG A 48 7.104 8.536 -14.467 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.123 7.248 -14.100 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.756 8.929 -15.570 1.00 0.00 N ATOM 0 H ARG A 48 3.781 7.761 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 48 6.319 7.127 -9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.912 9.656 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.434 9.920 -9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.410 9.795 -11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.152 8.065 -11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.172 8.146 -12.621 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.918 9.853 -12.314 1.00 0.00 H new ATOM 0 HE ARG A 48 6.441 10.406 -14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.628 6.950 -13.260 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.633 6.565 -14.661 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.742 9.910 -15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.266 8.247 -16.131 1.00 0.00 H new ATOM 681 N VAL A 49 7.521 7.938 -7.649 1.00 0.00 N ATOM 682 CA VAL A 49 8.123 8.064 -6.332 1.00 0.00 C ATOM 683 C VAL A 49 9.167 9.183 -6.359 1.00 0.00 C ATOM 684 O VAL A 49 10.302 8.967 -6.779 1.00 0.00 O ATOM 685 CB VAL A 49 8.701 6.718 -5.890 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.087 6.747 -4.410 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.721 5.579 -6.179 1.00 0.00 C ATOM 0 H VAL A 49 8.183 7.770 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 49 7.371 8.338 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 49 9.606 6.536 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.495 5.778 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.837 7.521 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.204 6.963 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.156 4.634 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.790 5.754 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.517 5.537 -7.249 1.00 0.00 H new ATOM 697 N PHE A 50 8.744 10.353 -5.904 1.00 0.00 N ATOM 698 CA PHE A 50 9.628 11.506 -5.870 1.00 0.00 C ATOM 699 C PHE A 50 11.039 11.103 -5.438 1.00 0.00 C ATOM 700 O PHE A 50 11.218 10.101 -4.746 1.00 0.00 O ATOM 701 CB PHE A 50 9.052 12.481 -4.841 1.00 0.00 C ATOM 702 CG PHE A 50 7.570 12.802 -5.049 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.974 12.520 -6.238 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.850 13.369 -4.044 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.599 12.817 -6.431 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.475 13.666 -4.238 1.00 0.00 C ATOM 707 CZ PHE A 50 4.878 13.384 -5.427 1.00 0.00 C ATOM 0 H PHE A 50 7.801 10.528 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 50 9.694 11.953 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.186 12.062 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.623 13.409 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.546 12.070 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.323 13.593 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.126 12.593 -7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.903 14.116 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.832 13.610 -5.574 1.00 0.00 H new ATOM 717 N PRO A 51 12.031 11.924 -5.875 1.00 0.00 N ATOM 718 CA PRO A 51 13.421 11.663 -5.542 1.00 0.00 C ATOM 719 C PRO A 51 13.713 12.029 -4.085 1.00 0.00 C ATOM 720 O PRO A 51 14.579 11.428 -3.452 1.00 0.00 O ATOM 721 CB PRO A 51 14.225 12.487 -6.534 1.00 0.00 C ATOM 722 CG PRO A 51 13.267 13.533 -7.081 1.00 0.00 C ATOM 723 CD PRO A 51 11.856 13.118 -6.697 1.00 0.00 C ATOM 0 HA PRO A 51 13.681 10.607 -5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.080 12.957 -6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.617 11.860 -7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.501 14.516 -6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.361 13.608 -8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.348 13.908 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.252 12.906 -7.579 1.00 0.00 H new ATOM 731 N ASN A 52 12.973 13.014 -3.596 1.00 0.00 N ATOM 732 CA ASN A 52 13.142 13.467 -2.226 1.00 0.00 C ATOM 733 C ASN A 52 11.853 13.207 -1.445 1.00 0.00 C ATOM 734 O ASN A 52 10.997 14.084 -1.343 1.00 0.00 O ATOM 735 CB ASN A 52 13.432 14.969 -2.175 1.00 0.00 C ATOM 736 CG ASN A 52 14.904 15.254 -2.475 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.807 14.674 -1.893 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.096 16.178 -3.412 1.00 0.00 N ATOM 0 H ASN A 52 12.255 13.511 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 52 13.980 12.923 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.803 15.489 -2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.176 15.359 -1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.044 16.440 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.296 16.625 -3.859 1.00 0.00 H new ATOM 745 N GLY A 53 11.755 11.998 -0.913 1.00 0.00 N ATOM 746 CA GLY A 53 10.584 11.611 -0.144 1.00 0.00 C ATOM 747 C GLY A 53 10.902 10.438 0.786 1.00 0.00 C ATOM 748 O GLY A 53 12.057 10.034 0.909 1.00 0.00 O ATOM 0 H GLY A 53 12.467 11.273 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.233 12.460 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.775 11.335 -0.820 1.00 0.00 H new ATOM 752 N LEU A 54 9.856 9.924 1.417 1.00 0.00 N ATOM 753 CA LEU A 54 10.009 8.806 2.332 1.00 0.00 C ATOM 754 C LEU A 54 9.838 7.495 1.561 1.00 0.00 C ATOM 755 O LEU A 54 10.632 6.569 1.721 1.00 0.00 O ATOM 756 CB LEU A 54 9.055 8.950 3.519 1.00 0.00 C ATOM 757 CG LEU A 54 9.111 10.284 4.266 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.706 10.847 4.489 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.888 10.146 5.577 1.00 0.00 C ATOM 0 H LEU A 54 8.899 10.262 1.312 1.00 0.00 H new ATOM 0 HA LEU A 54 11.012 8.798 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.036 8.799 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.266 8.150 4.228 1.00 0.00 H new ATOM 0 HG LEU A 54 9.650 11.000 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.774 11.795 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.221 11.006 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.120 10.141 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.913 11.108 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.399 9.409 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.907 9.822 5.364 1.00 0.00 H new ATOM 771 N ALA A 55 8.798 7.459 0.741 1.00 0.00 N ATOM 772 CA ALA A 55 8.513 6.277 -0.054 1.00 0.00 C ATOM 773 C ALA A 55 9.804 5.789 -0.715 1.00 0.00 C ATOM 774 O ALA A 55 10.003 4.587 -0.884 1.00 0.00 O ATOM 775 CB ALA A 55 7.421 6.601 -1.076 1.00 0.00 C ATOM 0 H ALA A 55 8.143 8.229 0.610 1.00 0.00 H new ATOM 0 HA ALA A 55 8.140 5.470 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.207 5.714 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.517 6.915 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.761 7.405 -1.729 1.00 0.00 H new ATOM 781 N SER A 56 10.648 6.746 -1.070 1.00 0.00 N ATOM 782 CA SER A 56 11.914 6.429 -1.708 1.00 0.00 C ATOM 783 C SER A 56 12.926 5.964 -0.660 1.00 0.00 C ATOM 784 O SER A 56 13.665 5.006 -0.886 1.00 0.00 O ATOM 785 CB SER A 56 12.461 7.634 -2.476 1.00 0.00 C ATOM 786 OG SER A 56 12.579 7.369 -3.871 1.00 0.00 O ATOM 0 H SER A 56 10.480 7.742 -0.928 1.00 0.00 H new ATOM 0 HA SER A 56 11.744 5.624 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.803 8.490 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.437 7.907 -2.075 1.00 0.00 H new ATOM 0 HG SER A 56 12.202 8.117 -4.379 1.00 0.00 H new ATOM 792 N GLN A 57 12.929 6.663 0.466 1.00 0.00 N ATOM 793 CA GLN A 57 13.838 6.334 1.550 1.00 0.00 C ATOM 794 C GLN A 57 13.628 4.887 1.998 1.00 0.00 C ATOM 795 O GLN A 57 14.589 4.134 2.151 1.00 0.00 O ATOM 796 CB GLN A 57 13.667 7.302 2.722 1.00 0.00 C ATOM 797 CG GLN A 57 14.635 8.481 2.606 1.00 0.00 C ATOM 798 CD GLN A 57 15.407 8.687 3.911 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.967 9.369 4.822 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.580 8.062 3.950 1.00 0.00 N ATOM 0 H GLN A 57 12.315 7.457 0.651 1.00 0.00 H new ATOM 0 HA GLN A 57 14.860 6.435 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.641 7.670 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.840 6.776 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.335 8.303 1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.082 9.387 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.889 7.507 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.171 8.138 4.778 1.00 0.00 H new ATOM 809 N GLU A 58 12.364 4.540 2.197 1.00 0.00 N ATOM 810 CA GLU A 58 12.015 3.196 2.625 1.00 0.00 C ATOM 811 C GLU A 58 12.406 2.179 1.551 1.00 0.00 C ATOM 812 O GLU A 58 12.929 1.110 1.864 1.00 0.00 O ATOM 813 CB GLU A 58 10.525 3.097 2.958 1.00 0.00 C ATOM 814 CG GLU A 58 10.316 2.593 4.388 1.00 0.00 C ATOM 815 CD GLU A 58 10.900 3.575 5.406 1.00 0.00 C ATOM 816 OE1 GLU A 58 12.130 3.509 5.616 1.00 0.00 O ATOM 817 OE2 GLU A 58 10.103 4.369 5.950 1.00 0.00 O ATOM 0 H GLU A 58 11.569 5.167 2.070 1.00 0.00 H new ATOM 0 HA GLU A 58 12.573 2.968 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.057 4.074 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.036 2.423 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.251 2.457 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.788 1.618 4.506 1.00 0.00 H new ATOM 824 N GLY A 59 12.137 2.547 0.307 1.00 0.00 N ATOM 825 CA GLY A 59 12.453 1.679 -0.815 1.00 0.00 C ATOM 826 C GLY A 59 11.413 0.567 -0.959 1.00 0.00 C ATOM 827 O GLY A 59 11.631 -0.402 -1.685 1.00 0.00 O ATOM 0 H GLY A 59 11.704 3.434 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.493 2.265 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.441 1.241 -0.673 1.00 0.00 H new ATOM 831 N THR A 60 10.304 0.743 -0.256 1.00 0.00 N ATOM 832 CA THR A 60 9.229 -0.234 -0.297 1.00 0.00 C ATOM 833 C THR A 60 8.243 0.104 -1.417 1.00 0.00 C ATOM 834 O THR A 60 7.881 -0.762 -2.212 1.00 0.00 O ATOM 835 CB THR A 60 8.581 -0.281 1.089 1.00 0.00 C ATOM 836 OG1 THR A 60 9.324 -1.279 1.785 1.00 0.00 O ATOM 837 CG2 THR A 60 7.156 -0.837 1.050 1.00 0.00 C ATOM 0 H THR A 60 10.126 1.548 0.345 1.00 0.00 H new ATOM 0 HA THR A 60 9.608 -1.229 -0.530 1.00 0.00 H new ATOM 0 HB THR A 60 8.568 0.721 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.991 -1.354 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.742 -0.849 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.537 -0.207 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.172 -1.852 0.652 1.00 0.00 H new ATOM 845 N ILE A 61 7.837 1.365 -1.444 1.00 0.00 N ATOM 846 CA ILE A 61 6.900 1.828 -2.454 1.00 0.00 C ATOM 847 C ILE A 61 7.678 2.338 -3.669 1.00 0.00 C ATOM 848 O ILE A 61 8.146 3.475 -3.678 1.00 0.00 O ATOM 849 CB ILE A 61 5.940 2.860 -1.861 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.473 2.438 -0.466 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.764 3.121 -2.804 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.665 3.551 0.203 1.00 0.00 C ATOM 0 H ILE A 61 8.140 2.080 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 61 6.273 1.005 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 61 6.478 3.801 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.865 1.537 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.337 2.190 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.097 3.859 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.138 3.498 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.218 2.192 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.346 3.224 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.284 4.443 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.789 3.780 -0.404 1.00 0.00 H new ATOM 864 N GLN A 62 7.791 1.472 -4.665 1.00 0.00 N ATOM 865 CA GLN A 62 8.503 1.820 -5.883 1.00 0.00 C ATOM 866 C GLN A 62 7.541 1.845 -7.072 1.00 0.00 C ATOM 867 O GLN A 62 6.766 0.910 -7.267 1.00 0.00 O ATOM 868 CB GLN A 62 9.663 0.854 -6.135 1.00 0.00 C ATOM 869 CG GLN A 62 10.792 1.079 -5.128 1.00 0.00 C ATOM 870 CD GLN A 62 11.882 0.015 -5.280 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.893 0.214 -5.933 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.620 -1.123 -4.643 1.00 0.00 N ATOM 0 H GLN A 62 7.401 0.529 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 62 8.925 2.818 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.307 -0.174 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.042 0.991 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.223 2.070 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.391 1.052 -4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.754 -1.223 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.285 -1.895 -4.684 1.00 0.00 H new ATOM 881 N LYS A 63 7.623 2.924 -7.836 1.00 0.00 N ATOM 882 CA LYS A 63 6.770 3.083 -9.001 1.00 0.00 C ATOM 883 C LYS A 63 6.630 1.736 -9.713 1.00 0.00 C ATOM 884 O LYS A 63 7.623 1.155 -10.150 1.00 0.00 O ATOM 885 CB LYS A 63 7.294 4.203 -9.901 1.00 0.00 C ATOM 886 CG LYS A 63 7.177 3.820 -11.378 1.00 0.00 C ATOM 887 CD LYS A 63 7.800 4.893 -12.274 1.00 0.00 C ATOM 888 CE LYS A 63 9.231 4.519 -12.664 1.00 0.00 C ATOM 889 NZ LYS A 63 10.000 5.728 -13.032 1.00 0.00 N ATOM 0 H LYS A 63 8.268 3.697 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 63 5.769 3.391 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.732 5.118 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.336 4.413 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.673 2.865 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.128 3.686 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.195 5.018 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.800 5.851 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.719 4.009 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.216 3.822 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.017 5.542 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.805 5.975 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.720 6.518 -12.416 1.00 0.00 H new ATOM 903 N GLY A 64 5.390 1.278 -9.808 1.00 0.00 N ATOM 904 CA GLY A 64 5.108 0.011 -10.460 1.00 0.00 C ATOM 905 C GLY A 64 4.520 -0.996 -9.469 1.00 0.00 C ATOM 906 O GLY A 64 3.852 -1.949 -9.869 1.00 0.00 O ATOM 0 H GLY A 64 4.569 1.762 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.410 0.168 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.024 -0.391 -10.893 1.00 0.00 H new ATOM 910 N ASN A 65 4.789 -0.751 -8.195 1.00 0.00 N ATOM 911 CA ASN A 65 4.295 -1.624 -7.144 1.00 0.00 C ATOM 912 C ASN A 65 2.765 -1.609 -7.152 1.00 0.00 C ATOM 913 O ASN A 65 2.153 -0.769 -7.809 1.00 0.00 O ATOM 914 CB ASN A 65 4.766 -1.150 -5.768 1.00 0.00 C ATOM 915 CG ASN A 65 5.841 -2.083 -5.205 1.00 0.00 C ATOM 916 OD1 ASN A 65 5.830 -2.456 -4.044 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.768 -2.436 -6.091 1.00 0.00 N ATOM 0 H ASN A 65 5.343 0.040 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 65 4.679 -2.627 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.162 -0.137 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.919 -1.110 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.529 -3.055 -5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.718 -2.087 -7.048 1.00 0.00 H new ATOM 924 N GLU A 66 2.192 -2.547 -6.413 1.00 0.00 N ATOM 925 CA GLU A 66 0.746 -2.652 -6.326 1.00 0.00 C ATOM 926 C GLU A 66 0.255 -2.123 -4.977 1.00 0.00 C ATOM 927 O GLU A 66 0.551 -2.703 -3.934 1.00 0.00 O ATOM 928 CB GLU A 66 0.286 -4.094 -6.549 1.00 0.00 C ATOM 929 CG GLU A 66 -1.150 -4.294 -6.061 1.00 0.00 C ATOM 930 CD GLU A 66 -1.787 -5.521 -6.717 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.635 -5.647 -7.952 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.412 -6.304 -5.970 1.00 0.00 O ATOM 0 H GLU A 66 2.703 -3.242 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 66 0.309 -2.040 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.351 -4.340 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.951 -4.777 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.156 -4.412 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.742 -3.407 -6.288 1.00 0.00 H new ATOM 939 N VAL A 67 -0.487 -1.027 -5.042 1.00 0.00 N ATOM 940 CA VAL A 67 -1.021 -0.413 -3.838 1.00 0.00 C ATOM 941 C VAL A 67 -2.332 -1.104 -3.457 1.00 0.00 C ATOM 942 O VAL A 67 -3.361 -0.884 -4.093 1.00 0.00 O ATOM 943 CB VAL A 67 -1.178 1.095 -4.045 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.721 1.768 -2.783 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.144 1.730 -4.480 1.00 0.00 C ATOM 0 H VAL A 67 -0.731 -0.549 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.331 -0.543 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.902 1.249 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.823 2.839 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.695 1.346 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.032 1.599 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.004 2.802 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.899 1.560 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.472 1.281 -5.418 1.00 0.00 H new ATOM 955 N LEU A 68 -2.251 -1.925 -2.421 1.00 0.00 N ATOM 956 CA LEU A 68 -3.418 -2.650 -1.947 1.00 0.00 C ATOM 957 C LEU A 68 -4.317 -1.699 -1.155 1.00 0.00 C ATOM 958 O LEU A 68 -5.525 -1.647 -1.382 1.00 0.00 O ATOM 959 CB LEU A 68 -2.995 -3.893 -1.163 1.00 0.00 C ATOM 960 CG LEU A 68 -1.871 -4.726 -1.781 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.034 -5.408 -0.697 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.425 -5.730 -2.793 1.00 0.00 C ATOM 0 H LEU A 68 -1.395 -2.105 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.006 -3.018 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.683 -3.581 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.868 -4.533 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.208 -4.054 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.242 -5.994 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.592 -4.651 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.671 -6.065 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.605 -6.309 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.123 -6.402 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.942 -5.196 -3.590 1.00 0.00 H new ATOM 974 N SER A 69 -3.693 -0.969 -0.241 1.00 0.00 N ATOM 975 CA SER A 69 -4.421 -0.023 0.586 1.00 0.00 C ATOM 976 C SER A 69 -3.478 1.077 1.076 1.00 0.00 C ATOM 977 O SER A 69 -2.259 0.937 0.994 1.00 0.00 O ATOM 978 CB SER A 69 -5.082 -0.724 1.774 1.00 0.00 C ATOM 979 OG SER A 69 -4.184 -0.878 2.870 1.00 0.00 O ATOM 0 H SER A 69 -2.691 -1.014 -0.056 1.00 0.00 H new ATOM 0 HA SER A 69 -5.208 0.425 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.951 -0.151 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.444 -1.703 1.461 1.00 0.00 H new ATOM 0 HG SER A 69 -4.644 -1.328 3.609 1.00 0.00 H new ATOM 985 N ILE A 70 -4.078 2.148 1.576 1.00 0.00 N ATOM 986 CA ILE A 70 -3.307 3.271 2.080 1.00 0.00 C ATOM 987 C ILE A 70 -3.995 3.841 3.322 1.00 0.00 C ATOM 988 O ILE A 70 -5.166 4.217 3.270 1.00 0.00 O ATOM 989 CB ILE A 70 -3.079 4.304 0.974 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.075 3.789 -0.059 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.658 5.652 1.561 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.831 4.831 -1.153 1.00 0.00 C ATOM 0 H ILE A 70 -5.090 2.261 1.643 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.314 2.943 2.388 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.024 4.461 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.133 3.546 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.448 2.868 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.502 6.368 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.440 6.019 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.731 5.531 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.114 4.440 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.770 5.054 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.435 5.743 -0.705 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.240 3.888 4.409 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.763 4.406 5.662 1.00 0.00 C ATOM 1006 C ASN A 71 -4.656 3.348 6.313 1.00 0.00 C ATOM 1007 O ASN A 71 -5.228 3.583 7.376 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.608 5.660 5.430 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.361 6.699 6.526 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -5.265 7.135 7.219 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.089 7.069 6.644 1.00 0.00 N ATOM 0 H ASN A 71 -2.270 3.576 4.448 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.917 4.655 6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.369 6.089 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.664 5.392 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.821 7.757 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.381 6.664 6.031 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.748 2.207 5.647 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.562 1.112 6.148 1.00 0.00 C ATOM 1020 C GLY A 72 -6.891 1.027 5.393 1.00 0.00 C ATOM 1021 O GLY A 72 -7.754 0.221 5.737 1.00 0.00 O ATOM 0 H GLY A 72 -4.273 2.016 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.019 0.173 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.752 1.253 7.212 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.013 1.869 4.377 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.221 1.899 3.571 1.00 0.00 C ATOM 1027 C LYS A 73 -7.981 1.128 2.271 1.00 0.00 C ATOM 1028 O LYS A 73 -7.180 1.546 1.437 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.684 3.341 3.354 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.504 3.466 2.068 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.942 4.914 1.835 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.029 5.325 2.830 1.00 0.00 C ATOM 1033 NZ LYS A 73 -12.367 4.959 2.315 1.00 0.00 N ATOM 0 H LYS A 73 -6.295 2.536 4.094 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.039 1.401 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.283 3.666 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.818 4.001 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.912 3.120 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.381 2.822 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.083 5.578 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.315 5.026 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.856 4.837 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.982 6.400 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.094 5.245 3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.536 5.444 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.414 3.930 2.170 1.00 0.00 H new ATOM 1047 N SER A 74 -8.690 0.017 2.141 1.00 0.00 N ATOM 1048 CA SER A 74 -8.565 -0.816 0.957 1.00 0.00 C ATOM 1049 C SER A 74 -9.328 -0.186 -0.210 1.00 0.00 C ATOM 1050 O SER A 74 -10.332 0.495 -0.004 1.00 0.00 O ATOM 1051 CB SER A 74 -9.077 -2.233 1.223 1.00 0.00 C ATOM 1052 OG SER A 74 -9.194 -2.505 2.617 1.00 0.00 O ATOM 0 H SER A 74 -9.353 -0.326 2.836 1.00 0.00 H new ATOM 0 HA SER A 74 -7.509 -0.884 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.048 -2.363 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.399 -2.955 0.768 1.00 0.00 H new ATOM 0 HG SER A 74 -9.525 -3.418 2.745 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.824 -0.436 -1.409 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.446 0.098 -2.609 1.00 0.00 C ATOM 1060 C LEU A 75 -10.602 -0.813 -3.028 1.00 0.00 C ATOM 1061 O LEU A 75 -10.379 -1.893 -3.572 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.401 0.309 -3.706 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.037 0.825 -3.242 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.967 0.578 -4.308 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.116 2.298 -2.839 1.00 0.00 C ATOM 0 H LEU A 75 -7.992 -1.001 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.871 1.082 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.252 -0.638 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.805 1.012 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.743 0.265 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.007 0.954 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.888 -0.491 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.243 1.096 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.133 2.639 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.442 2.892 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.829 2.414 -2.023 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.811 -0.344 -2.758 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.002 -1.103 -3.100 1.00 0.00 C ATOM 1079 C LYS A 76 -13.434 -0.750 -4.525 1.00 0.00 C ATOM 1080 O LYS A 76 -14.545 -1.079 -4.939 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.096 -0.884 -2.053 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.751 0.489 -2.223 1.00 0.00 C ATOM 1083 CD LYS A 76 -16.106 0.367 -2.924 1.00 0.00 C ATOM 1084 CE LYS A 76 -17.252 0.655 -1.953 1.00 0.00 C ATOM 1085 NZ LYS A 76 -18.309 1.449 -2.619 1.00 0.00 N ATOM 0 H LYS A 76 -11.992 0.552 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.790 -2.172 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.851 -1.665 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.669 -0.966 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.883 0.956 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.095 1.140 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.150 1.063 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.217 -0.636 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.670 -0.283 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.874 1.197 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.079 1.636 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.910 2.352 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.681 0.918 -3.432 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.534 -0.086 -5.235 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.809 0.315 -6.604 1.00 0.00 C ATOM 1101 C GLY A 77 -12.835 1.839 -6.735 1.00 0.00 C ATOM 1102 O GLY A 77 -13.493 2.378 -7.623 1.00 0.00 O ATOM 0 H GLY A 77 -11.614 0.184 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.049 -0.097 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.767 -0.097 -6.922 1.00 0.00 H new ATOM 1106 N THR A 78 -12.111 2.490 -5.836 1.00 0.00 N ATOM 1107 CA THR A 78 -12.043 3.942 -5.840 1.00 0.00 C ATOM 1108 C THR A 78 -11.533 4.448 -7.190 1.00 0.00 C ATOM 1109 O THR A 78 -10.709 3.798 -7.831 1.00 0.00 O ATOM 1110 CB THR A 78 -11.172 4.377 -4.660 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.313 3.319 -3.716 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.738 5.600 -3.935 1.00 0.00 C ATOM 0 H THR A 78 -11.567 2.039 -5.100 1.00 0.00 H new ATOM 0 HA THR A 78 -13.031 4.385 -5.715 1.00 0.00 H new ATOM 0 HB THR A 78 -10.165 4.598 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.779 3.518 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.082 5.867 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.804 6.437 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.732 5.368 -3.551 1.00 0.00 H new ATOM 1120 N THR A 79 -12.045 5.605 -7.584 1.00 0.00 N ATOM 1121 CA THR A 79 -11.652 6.207 -8.847 1.00 0.00 C ATOM 1122 C THR A 79 -10.244 6.797 -8.741 1.00 0.00 C ATOM 1123 O THR A 79 -9.775 7.100 -7.645 1.00 0.00 O ATOM 1124 CB THR A 79 -12.716 7.237 -9.231 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.130 7.790 -7.985 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.983 6.589 -9.791 1.00 0.00 C ATOM 0 H THR A 79 -12.729 6.142 -7.051 1.00 0.00 H new ATOM 0 HA THR A 79 -11.599 5.462 -9.641 1.00 0.00 H new ATOM 0 HB THR A 79 -12.304 7.926 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.173 8.766 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.705 7.364 -10.047 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.734 6.015 -10.684 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.414 5.925 -9.041 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.610 6.942 -9.895 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.266 7.491 -9.946 1.00 0.00 C ATOM 1136 C HIS A 80 -8.173 8.709 -9.025 1.00 0.00 C ATOM 1137 O HIS A 80 -7.253 8.810 -8.215 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.862 7.806 -11.388 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.454 8.334 -11.530 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.339 7.515 -11.496 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.993 9.605 -11.708 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.261 8.270 -11.646 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.668 9.565 -11.777 1.00 0.00 N ATOM 0 H HIS A 80 -10.002 6.689 -10.802 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.553 6.750 -9.584 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.962 6.902 -11.988 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.557 8.539 -11.797 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.346 6.502 -11.376 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.603 10.494 -11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.239 7.921 -11.662 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.139 9.602 -9.180 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.178 10.809 -8.372 1.00 0.00 C ATOM 1153 C HIS A 81 -9.460 10.442 -6.914 1.00 0.00 C ATOM 1154 O HIS A 81 -8.643 10.707 -6.034 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.188 11.810 -8.938 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.257 13.111 -8.175 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -11.196 14.090 -8.446 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -9.494 13.583 -7.147 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.999 15.102 -7.614 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -9.943 14.786 -6.810 1.00 0.00 N ATOM 0 H HIS A 81 -9.901 9.514 -9.853 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.207 11.304 -8.404 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.931 12.022 -9.976 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.176 11.350 -8.942 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.666 13.066 -6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.573 16.016 -7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.561 15.377 -6.071 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.620 9.838 -6.703 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.021 9.431 -5.367 1.00 0.00 C ATOM 1170 C ASP A 82 -9.828 8.790 -4.655 1.00 0.00 C ATOM 1171 O ASP A 82 -9.735 8.835 -3.429 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.150 8.401 -5.420 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.537 8.975 -5.717 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.583 10.025 -6.394 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.519 8.351 -5.261 1.00 0.00 O ATOM 0 H ASP A 82 -11.296 9.620 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.367 10.317 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.909 7.660 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.188 7.876 -4.465 1.00 0.00 H new ATOM 1180 N ALA A 83 -8.946 8.208 -5.453 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.763 7.558 -4.915 1.00 0.00 C ATOM 1182 C ALA A 83 -6.702 8.615 -4.606 1.00 0.00 C ATOM 1183 O ALA A 83 -6.161 8.653 -3.502 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.265 6.502 -5.904 1.00 0.00 C ATOM 0 H ALA A 83 -9.027 8.173 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.998 7.045 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.378 6.015 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.045 5.758 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.017 6.980 -6.852 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.435 9.448 -5.602 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.447 10.503 -5.451 1.00 0.00 C ATOM 1192 C LEU A 84 -5.753 11.304 -4.184 1.00 0.00 C ATOM 1193 O LEU A 84 -4.860 11.564 -3.378 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.379 11.358 -6.718 1.00 0.00 C ATOM 1195 CG LEU A 84 -4.974 10.627 -7.999 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -5.772 11.142 -9.199 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.465 10.721 -8.231 1.00 0.00 C ATOM 0 H LEU A 84 -6.886 9.413 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.451 10.078 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.356 11.815 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.672 12.170 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.216 9.571 -7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.465 10.606 -10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.836 10.980 -9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.584 12.208 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.204 10.193 -9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.175 11.768 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.939 10.269 -7.390 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.018 11.674 -4.047 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.453 12.440 -2.891 1.00 0.00 C ATOM 1211 C ALA A 85 -7.219 11.618 -1.622 1.00 0.00 C ATOM 1212 O ALA A 85 -6.553 12.077 -0.695 1.00 0.00 O ATOM 1213 CB ALA A 85 -8.920 12.839 -3.065 1.00 0.00 C ATOM 0 H ALA A 85 -7.756 11.458 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.874 13.359 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.246 13.413 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.028 13.446 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.533 11.942 -3.157 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.779 10.418 -1.621 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.639 9.528 -0.481 1.00 0.00 C ATOM 1221 C ILE A 86 -6.170 9.475 -0.057 1.00 0.00 C ATOM 1222 O ILE A 86 -5.866 9.369 1.130 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.238 8.155 -0.796 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.639 8.018 -0.198 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.306 7.032 -0.337 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.658 7.626 -1.270 1.00 0.00 C ATOM 0 H ILE A 86 -8.331 10.041 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.203 9.909 0.370 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.340 8.067 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.629 7.266 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.935 8.960 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.755 6.067 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.348 7.121 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.149 7.106 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.646 7.535 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.683 8.392 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.372 6.671 -1.712 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.297 9.551 -1.051 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.868 9.514 -0.797 1.00 0.00 C ATOM 1240 C LEU A 87 -3.431 10.838 -0.165 1.00 0.00 C ATOM 1241 O LEU A 87 -2.553 10.859 0.696 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.105 9.162 -2.075 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.669 9.683 -2.165 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.647 11.202 -2.345 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.847 9.238 -0.953 1.00 0.00 C ATOM 0 H LEU A 87 -5.553 9.638 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.629 8.726 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.083 8.077 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.665 9.549 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.203 9.247 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.615 11.546 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.173 11.467 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.138 11.676 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.169 9.622 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.303 9.626 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.821 8.149 -0.911 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.065 11.909 -0.618 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.754 13.234 -0.108 1.00 0.00 C ATOM 1259 C ARG A 88 -4.319 13.406 1.304 1.00 0.00 C ATOM 1260 O ARG A 88 -4.009 14.381 1.986 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.329 14.323 -1.015 1.00 0.00 C ATOM 1262 CG ARG A 88 -3.536 14.424 -2.320 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.122 15.502 -3.235 1.00 0.00 C ATOM 1264 NE ARG A 88 -3.044 16.389 -3.727 1.00 0.00 N ATOM 1265 CZ ARG A 88 -3.170 17.213 -4.776 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -4.327 17.269 -5.449 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -2.138 17.982 -5.151 1.00 0.00 N ATOM 0 H ARG A 88 -4.793 11.887 -1.332 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.669 13.333 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.374 14.103 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.308 15.282 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.494 14.656 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.547 13.462 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.634 15.037 -4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.866 16.086 -2.693 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.150 16.372 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.112 16.684 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.423 17.896 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.257 17.940 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.233 18.609 -5.949 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.137 12.442 1.701 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.748 12.474 3.019 1.00 0.00 C ATOM 1283 C GLN A 89 -4.928 11.638 4.004 1.00 0.00 C ATOM 1284 O GLN A 89 -4.949 11.893 5.207 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.198 11.991 2.963 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.099 13.035 2.300 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.369 13.265 3.121 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.377 13.175 4.338 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.439 13.565 2.390 1.00 0.00 N ATOM 0 H GLN A 89 -5.391 11.634 1.133 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.758 13.506 3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.252 11.054 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.556 11.785 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.556 13.974 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.366 12.705 1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.363 13.624 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.336 13.736 2.845 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.227 10.656 3.457 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.403 9.780 4.272 1.00 0.00 C ATOM 1300 C ALA A 90 -2.088 10.489 4.605 1.00 0.00 C ATOM 1301 O ALA A 90 -1.293 9.989 5.399 1.00 0.00 O ATOM 1302 CB ALA A 90 -3.182 8.457 3.538 1.00 0.00 C ATOM 0 H ALA A 90 -4.213 10.448 2.459 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.902 9.550 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.564 7.800 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.144 7.980 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.681 8.647 2.589 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.901 11.643 3.982 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.696 12.425 4.202 1.00 0.00 C ATOM 1310 C ARG A 91 -0.945 13.494 5.268 1.00 0.00 C ATOM 1311 O ARG A 91 -0.013 14.164 5.710 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.235 13.102 2.909 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.938 14.446 2.713 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.922 14.863 1.240 1.00 0.00 C ATOM 1315 NE ARG A 91 -0.311 16.203 1.101 1.00 0.00 N ATOM 1316 CZ ARG A 91 -0.956 17.353 1.342 1.00 0.00 C ATOM 1317 NH1 ARG A 91 -2.237 17.332 1.736 1.00 0.00 N ATOM 1318 NH2 ARG A 91 -0.322 18.523 1.189 1.00 0.00 N ATOM 0 H ARG A 91 -2.563 12.055 3.325 1.00 0.00 H new ATOM 0 HA ARG A 91 0.085 11.744 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.844 13.253 2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.443 12.451 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.968 14.377 3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.446 15.209 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.361 14.136 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.938 14.875 0.846 1.00 0.00 H new ATOM 0 HE ARG A 91 0.663 16.255 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.720 16.441 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.729 18.207 1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.653 18.539 0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.814 19.397 1.373 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.207 13.620 5.650 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.591 14.596 6.656 1.00 0.00 C ATOM 1334 C GLU A 92 -1.956 14.247 8.004 1.00 0.00 C ATOM 1335 O GLU A 92 -1.446 15.124 8.700 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.113 14.692 6.775 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.752 14.984 5.416 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.273 15.096 5.538 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.860 14.195 6.175 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -6.815 16.082 4.992 1.00 0.00 O ATOM 0 H GLU A 92 -2.977 13.062 5.281 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.222 15.573 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.510 13.759 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.377 15.479 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.347 15.911 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.497 14.191 4.713 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.009 12.930 8.340 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.446 12.454 9.592 1.00 0.00 C ATOM 1349 C PRO A 93 0.082 12.411 9.524 1.00 0.00 C ATOM 1350 O PRO A 93 0.669 12.690 8.479 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.070 11.085 9.809 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.596 10.647 8.451 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.605 11.864 7.540 1.00 0.00 C ATOM 0 HA PRO A 93 -1.666 13.114 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.335 10.376 10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.875 11.134 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.966 9.862 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.600 10.234 8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.031 11.683 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.618 12.120 7.231 1.00 0.00 H new ATOM 1361 N ARG A 94 0.683 12.058 10.651 1.00 0.00 N ATOM 1362 CA ARG A 94 2.131 11.975 10.732 1.00 0.00 C ATOM 1363 C ARG A 94 2.601 10.557 10.400 1.00 0.00 C ATOM 1364 O ARG A 94 3.801 10.289 10.362 1.00 0.00 O ATOM 1365 CB ARG A 94 2.627 12.355 12.129 1.00 0.00 C ATOM 1366 CG ARG A 94 1.984 13.659 12.604 1.00 0.00 C ATOM 1367 CD ARG A 94 3.047 14.720 12.896 1.00 0.00 C ATOM 1368 NE ARG A 94 2.780 15.357 14.204 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.042 14.783 15.387 1.00 0.00 C ATOM 1370 NH1 ARG A 94 3.579 13.557 15.432 1.00 0.00 N ATOM 1371 NH2 ARG A 94 2.767 15.436 16.524 1.00 0.00 N ATOM 0 H ARG A 94 0.193 11.826 11.515 1.00 0.00 H new ATOM 0 HA ARG A 94 2.544 12.677 10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.395 11.554 12.831 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.711 12.464 12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.296 14.028 11.843 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.395 13.472 13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.037 14.264 12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 94 3.047 15.474 12.108 1.00 0.00 H new ATOM 0 HE ARG A 94 2.371 16.291 14.206 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.789 13.060 14.566 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.778 13.120 16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.358 16.370 16.490 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.966 14.999 17.424 1.00 0.00 H new ATOM 1385 N GLN A 95 1.630 9.686 10.167 1.00 0.00 N ATOM 1386 CA GLN A 95 1.929 8.302 9.839 1.00 0.00 C ATOM 1387 C GLN A 95 1.107 7.854 8.629 1.00 0.00 C ATOM 1388 O GLN A 95 -0.029 8.291 8.449 1.00 0.00 O ATOM 1389 CB GLN A 95 1.679 7.388 11.040 1.00 0.00 C ATOM 1390 CG GLN A 95 2.258 5.993 10.797 1.00 0.00 C ATOM 1391 CD GLN A 95 1.266 4.907 11.220 1.00 0.00 C ATOM 1392 OE1 GLN A 95 1.823 3.890 11.871 1.00 0.00 O flip ATOM 1393 NE2 GLN A 95 0.075 4.986 10.970 1.00 0.00 N flip ATOM 0 H GLN A 95 0.636 9.912 10.199 1.00 0.00 H new ATOM 0 HA GLN A 95 2.986 8.230 9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.130 7.822 11.932 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.608 7.313 11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.503 5.876 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.188 5.879 11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.288 5.795 10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.558 4.243 11.265 1.00 0.00 H new ATOM 1402 N ALA A 96 1.714 6.989 7.830 1.00 0.00 N ATOM 1403 CA ALA A 96 1.052 6.477 6.641 1.00 0.00 C ATOM 1404 C ALA A 96 1.315 4.974 6.524 1.00 0.00 C ATOM 1405 O ALA A 96 2.447 4.523 6.694 1.00 0.00 O ATOM 1406 CB ALA A 96 1.537 7.251 5.414 1.00 0.00 C ATOM 0 H ALA A 96 2.656 6.630 7.982 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.027 6.619 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.041 6.867 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.301 8.308 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.615 7.129 5.310 1.00 0.00 H new ATOM 1412 N VAL A 97 0.251 4.241 6.234 1.00 0.00 N ATOM 1413 CA VAL A 97 0.352 2.798 6.092 1.00 0.00 C ATOM 1414 C VAL A 97 0.041 2.410 4.645 1.00 0.00 C ATOM 1415 O VAL A 97 -1.041 2.702 4.139 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.561 2.107 7.106 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.074 0.772 6.562 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.153 1.915 8.446 1.00 0.00 C ATOM 0 H VAL A 97 -0.686 4.619 6.093 1.00 0.00 H new ATOM 0 HA VAL A 97 1.366 2.463 6.308 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.422 2.753 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.721 0.302 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.638 0.945 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.229 0.117 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.519 1.422 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.041 1.300 8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.446 2.886 8.845 1.00 0.00 H new ATOM 1428 N ILE A 98 1.009 1.756 4.020 1.00 0.00 N ATOM 1429 CA ILE A 98 0.852 1.325 2.642 1.00 0.00 C ATOM 1430 C ILE A 98 1.211 -0.159 2.532 1.00 0.00 C ATOM 1431 O ILE A 98 2.347 -0.548 2.797 1.00 0.00 O ATOM 1432 CB ILE A 98 1.661 2.223 1.703 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.542 3.692 2.114 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.254 2.000 0.245 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.659 4.082 3.084 1.00 0.00 C ATOM 0 H ILE A 98 1.905 1.514 4.443 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.187 1.428 2.328 1.00 0.00 H new ATOM 0 HB ILE A 98 2.712 1.949 1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.587 4.326 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.573 3.865 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.844 2.650 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.432 0.960 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.196 2.231 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.551 5.131 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.596 3.463 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.626 3.931 2.605 1.00 0.00 H new ATOM 1447 N VAL A 99 0.219 -0.947 2.142 1.00 0.00 N ATOM 1448 CA VAL A 99 0.416 -2.379 1.995 1.00 0.00 C ATOM 1449 C VAL A 99 0.698 -2.702 0.526 1.00 0.00 C ATOM 1450 O VAL A 99 -0.163 -2.514 -0.332 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.794 -3.133 2.550 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.451 -4.600 2.816 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.328 -2.457 3.815 1.00 0.00 C ATOM 0 H VAL A 99 -0.722 -0.621 1.924 1.00 0.00 H new ATOM 0 HA VAL A 99 1.280 -2.707 2.573 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.581 -3.104 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.328 -5.113 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.140 -5.075 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.360 -4.658 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.188 -3.013 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.548 -2.440 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.629 -1.436 3.582 1.00 0.00 H new ATOM 1463 N THR A 100 1.909 -3.183 0.282 1.00 0.00 N ATOM 1464 CA THR A 100 2.316 -3.534 -1.068 1.00 0.00 C ATOM 1465 C THR A 100 3.107 -4.844 -1.063 1.00 0.00 C ATOM 1466 O THR A 100 3.632 -5.252 -0.029 1.00 0.00 O ATOM 1467 CB THR A 100 3.098 -2.354 -1.648 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.020 -2.008 -0.618 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.234 -1.102 -1.810 1.00 0.00 C ATOM 0 H THR A 100 2.621 -3.338 0.996 1.00 0.00 H new ATOM 0 HA THR A 100 1.452 -3.715 -1.707 1.00 0.00 H new ATOM 0 HB THR A 100 3.515 -2.635 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.569 -1.251 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.837 -0.295 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.404 -1.317 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.844 -0.801 -0.838 1.00 0.00 H new ATOM 1477 N ARG A 101 3.166 -5.466 -2.231 1.00 0.00 N ATOM 1478 CA ARG A 101 3.885 -6.721 -2.375 1.00 0.00 C ATOM 1479 C ARG A 101 4.952 -6.600 -3.464 1.00 0.00 C ATOM 1480 O ARG A 101 4.864 -5.733 -4.331 1.00 0.00 O ATOM 1481 CB ARG A 101 2.931 -7.864 -2.729 1.00 0.00 C ATOM 1482 CG ARG A 101 2.254 -7.614 -4.078 1.00 0.00 C ATOM 1483 CD ARG A 101 0.731 -7.679 -3.947 1.00 0.00 C ATOM 1484 NE ARG A 101 0.113 -7.816 -5.285 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.025 -8.981 -5.933 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.411 -10.116 -5.371 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -0.598 -9.010 -7.144 1.00 0.00 N ATOM 0 H ARG A 101 2.728 -5.125 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 101 4.361 -6.942 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.481 -8.804 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.174 -7.965 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.548 -6.637 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.592 -8.355 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.448 -8.523 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.361 -6.778 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.229 -6.971 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.848 -10.094 -4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.306 -11.003 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.929 -8.146 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.703 -9.897 -7.637 1.00 0.00 H new ATOM 1501 N LYS A 102 5.937 -7.483 -3.383 1.00 0.00 N ATOM 1502 CA LYS A 102 7.021 -7.487 -4.351 1.00 0.00 C ATOM 1503 C LYS A 102 6.548 -8.168 -5.637 1.00 0.00 C ATOM 1504 O LYS A 102 6.253 -9.362 -5.638 1.00 0.00 O ATOM 1505 CB LYS A 102 8.277 -8.117 -3.747 1.00 0.00 C ATOM 1506 CG LYS A 102 9.126 -7.067 -3.028 1.00 0.00 C ATOM 1507 CD LYS A 102 10.374 -6.720 -3.842 1.00 0.00 C ATOM 1508 CE LYS A 102 10.447 -5.217 -4.120 1.00 0.00 C ATOM 1509 NZ LYS A 102 11.406 -4.939 -5.213 1.00 0.00 N ATOM 0 H LYS A 102 6.007 -8.201 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 102 7.300 -6.467 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.993 -8.902 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.866 -8.589 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.534 -6.167 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.420 -7.441 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.265 -7.037 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.362 -7.268 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.460 -4.843 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.752 -4.688 -3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.444 -3.915 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.351 -5.279 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.098 -5.428 -6.078 1.00 0.00 H new ATOM 1523 N LEU A 103 6.491 -7.379 -6.700 1.00 0.00 N ATOM 1524 CA LEU A 103 6.059 -7.891 -7.989 1.00 0.00 C ATOM 1525 C LEU A 103 7.277 -8.065 -8.898 1.00 0.00 C ATOM 1526 O LEU A 103 8.412 -8.094 -8.423 1.00 0.00 O ATOM 1527 CB LEU A 103 4.971 -6.995 -8.585 1.00 0.00 C ATOM 1528 CG LEU A 103 3.826 -6.615 -7.644 1.00 0.00 C ATOM 1529 CD1 LEU A 103 3.216 -5.269 -8.038 1.00 0.00 C ATOM 1530 CD2 LEU A 103 2.774 -7.725 -7.583 1.00 0.00 C ATOM 0 H LEU A 103 6.737 -6.389 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 103 5.603 -8.874 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.439 -6.079 -8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.549 -7.499 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 103 4.234 -6.502 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.405 -5.023 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.981 -4.494 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.827 -5.329 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.972 -7.429 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.365 -7.894 -8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.235 -8.643 -7.219 1.00 0.00 H new ATOM 1542 N THR A 104 7.002 -8.178 -10.189 1.00 0.00 N ATOM 1543 CA THR A 104 8.061 -8.348 -11.168 1.00 0.00 C ATOM 1544 C THR A 104 9.022 -7.159 -11.127 1.00 0.00 C ATOM 1545 O THR A 104 8.673 -6.091 -10.627 1.00 0.00 O ATOM 1546 CB THR A 104 7.411 -8.557 -12.537 1.00 0.00 C ATOM 1547 OG1 THR A 104 6.323 -7.636 -12.549 1.00 0.00 O ATOM 1548 CG2 THR A 104 6.741 -9.926 -12.665 1.00 0.00 C ATOM 0 H THR A 104 6.060 -8.155 -10.580 1.00 0.00 H new ATOM 0 HA THR A 104 8.669 -9.224 -10.944 1.00 0.00 H new ATOM 0 HB THR A 104 8.165 -8.448 -13.317 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.847 -7.703 -13.403 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.296 -10.022 -13.655 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.485 -10.710 -12.524 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.964 -10.023 -11.907 1.00 0.00 H new ATOM 1556 N PRO A 105 10.246 -7.389 -11.674 1.00 0.00 N ATOM 1557 CA PRO A 105 11.260 -6.349 -11.704 1.00 0.00 C ATOM 1558 C PRO A 105 10.941 -5.303 -12.774 1.00 0.00 C ATOM 1559 O PRO A 105 9.902 -5.376 -13.429 1.00 0.00 O ATOM 1560 CB PRO A 105 12.567 -7.081 -11.961 1.00 0.00 C ATOM 1561 CG PRO A 105 12.181 -8.439 -12.525 1.00 0.00 C ATOM 1562 CD PRO A 105 10.695 -8.641 -12.275 1.00 0.00 C ATOM 0 HA PRO A 105 11.311 -5.785 -10.773 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.192 -6.530 -12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.141 -7.189 -11.041 1.00 0.00 H new ATOM 0 HG2 PRO A 105 12.399 -8.485 -13.592 1.00 0.00 H new ATOM 0 HG3 PRO A 105 12.760 -9.230 -12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 105 10.162 -8.848 -13.203 1.00 0.00 H new ATOM 0 HD3 PRO A 105 10.517 -9.486 -11.610 1.00 0.00 H new ATOM 1570 N GLU A 106 11.853 -4.353 -12.919 1.00 0.00 N ATOM 1571 CA GLU A 106 11.682 -3.294 -13.898 1.00 0.00 C ATOM 1572 C GLU A 106 12.906 -3.212 -14.811 1.00 0.00 C ATOM 1573 O GLU A 106 13.903 -3.895 -14.582 1.00 0.00 O ATOM 1574 CB GLU A 106 11.418 -1.951 -13.213 1.00 0.00 C ATOM 1575 CG GLU A 106 9.929 -1.774 -12.909 1.00 0.00 C ATOM 1576 CD GLU A 106 9.212 -1.078 -14.067 1.00 0.00 C ATOM 1577 OE1 GLU A 106 8.773 -1.807 -14.983 1.00 0.00 O ATOM 1578 OE2 GLU A 106 9.119 0.167 -14.011 1.00 0.00 O ATOM 0 H GLU A 106 12.713 -4.295 -12.374 1.00 0.00 H new ATOM 0 HA GLU A 106 10.812 -3.530 -14.510 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.991 -1.892 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.761 -1.138 -13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.473 -2.747 -12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.807 -1.189 -11.997 1.00 0.00 H new ATOM 1585 N ALA A 107 12.792 -2.369 -15.828 1.00 0.00 N ATOM 1586 CA ALA A 107 13.877 -2.189 -16.777 1.00 0.00 C ATOM 1587 C ALA A 107 14.119 -0.694 -16.991 1.00 0.00 C ATOM 1588 O ALA A 107 15.215 -0.196 -16.739 1.00 0.00 O ATOM 1589 CB ALA A 107 13.543 -2.918 -18.079 1.00 0.00 C ATOM 0 H ALA A 107 11.964 -1.803 -16.015 1.00 0.00 H new ATOM 0 HA ALA A 107 14.800 -2.620 -16.390 1.00 0.00 H new ATOM 0 HB1 ALA A 107 14.357 -2.783 -18.791 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.410 -3.981 -17.877 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.623 -2.511 -18.498 1.00 0.00 H new ATOM 1595 N MET A 108 13.077 -0.019 -17.454 1.00 0.00 N ATOM 1596 CA MET A 108 13.162 1.410 -17.705 1.00 0.00 C ATOM 1597 C MET A 108 14.476 1.767 -18.402 1.00 0.00 C ATOM 1598 O MET A 108 15.488 2.000 -17.743 1.00 0.00 O ATOM 1599 CB MET A 108 13.064 2.168 -16.380 1.00 0.00 C ATOM 1600 CG MET A 108 13.192 3.677 -16.600 1.00 0.00 C ATOM 1601 SD MET A 108 13.307 4.516 -15.029 1.00 0.00 S ATOM 1602 CE MET A 108 12.422 6.017 -15.414 1.00 0.00 C ATOM 0 H MET A 108 12.169 -0.435 -17.662 1.00 0.00 H new ATOM 0 HA MET A 108 12.337 1.695 -18.358 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.111 1.947 -15.900 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.848 1.828 -15.704 1.00 0.00 H new ATOM 0 HG2 MET A 108 14.075 3.891 -17.201 1.00 0.00 H new ATOM 0 HG3 MET A 108 12.330 4.046 -17.156 1.00 0.00 H new ATOM 0 HE1 MET A 108 12.150 6.527 -14.490 1.00 0.00 H new ATOM 0 HE2 MET A 108 13.056 6.669 -16.015 1.00 0.00 H new ATOM 0 HE3 MET A 108 11.518 5.773 -15.973 1.00 0.00 H new ATOM 1612 N PRO A 109 14.417 1.798 -19.760 1.00 0.00 N ATOM 1613 CA PRO A 109 15.590 2.123 -20.553 1.00 0.00 C ATOM 1614 C PRO A 109 15.892 3.621 -20.497 1.00 0.00 C ATOM 1615 O PRO A 109 15.150 4.386 -19.882 1.00 0.00 O ATOM 1616 CB PRO A 109 15.264 1.634 -21.955 1.00 0.00 C ATOM 1617 CG PRO A 109 13.753 1.479 -22.002 1.00 0.00 C ATOM 1618 CD PRO A 109 13.235 1.527 -20.574 1.00 0.00 C ATOM 0 HA PRO A 109 16.496 1.646 -20.180 1.00 0.00 H new ATOM 0 HB2 PRO A 109 15.607 2.345 -22.706 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.760 0.686 -22.163 1.00 0.00 H new ATOM 0 HG2 PRO A 109 13.306 2.275 -22.597 1.00 0.00 H new ATOM 0 HG3 PRO A 109 13.481 0.536 -22.475 1.00 0.00 H new ATOM 0 HD2 PRO A 109 12.483 2.306 -20.452 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.767 0.584 -20.291 1.00 0.00 H new ATOM 1626 N ASP A 110 16.984 3.997 -21.148 1.00 0.00 N ATOM 1627 CA ASP A 110 17.393 5.391 -21.180 1.00 0.00 C ATOM 1628 C ASP A 110 16.486 6.163 -22.141 1.00 0.00 C ATOM 1629 O ASP A 110 16.750 6.216 -23.341 1.00 0.00 O ATOM 1630 CB ASP A 110 18.834 5.530 -21.675 1.00 0.00 C ATOM 1631 CG ASP A 110 19.846 4.613 -20.986 1.00 0.00 C ATOM 1632 OD1 ASP A 110 19.644 4.347 -19.782 1.00 0.00 O ATOM 1633 OD2 ASP A 110 20.800 4.198 -21.680 1.00 0.00 O ATOM 0 H ASP A 110 17.597 3.361 -21.657 1.00 0.00 H new ATOM 0 HA ASP A 110 17.319 5.788 -20.167 1.00 0.00 H new ATOM 0 HB2 ASP A 110 18.855 5.329 -22.746 1.00 0.00 H new ATOM 0 HB3 ASP A 110 19.151 6.564 -21.538 1.00 0.00 H new ATOM 1638 N LEU A 111 15.436 6.741 -21.576 1.00 0.00 N ATOM 1639 CA LEU A 111 14.489 7.507 -22.368 1.00 0.00 C ATOM 1640 C LEU A 111 15.253 8.472 -23.277 1.00 0.00 C ATOM 1641 O LEU A 111 15.181 8.367 -24.500 1.00 0.00 O ATOM 1642 CB LEU A 111 13.466 8.195 -21.461 1.00 0.00 C ATOM 1643 CG LEU A 111 12.844 7.323 -20.369 1.00 0.00 C ATOM 1644 CD1 LEU A 111 13.402 7.689 -18.992 1.00 0.00 C ATOM 1645 CD2 LEU A 111 11.317 7.401 -20.408 1.00 0.00 C ATOM 0 H LEU A 111 15.220 6.694 -20.580 1.00 0.00 H new ATOM 0 HA LEU A 111 13.913 6.847 -23.017 1.00 0.00 H new ATOM 0 HB2 LEU A 111 13.948 9.049 -20.985 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.664 8.589 -22.085 1.00 0.00 H new ATOM 0 HG LEU A 111 13.118 6.286 -20.562 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.944 7.055 -18.233 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.482 7.540 -18.986 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.179 8.734 -18.775 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.900 6.772 -19.621 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.001 8.433 -20.253 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.960 7.054 -21.378 1.00 0.00 H new ATOM 1657 N ASN A 112 15.968 9.391 -22.643 1.00 0.00 N ATOM 1658 CA ASN A 112 16.744 10.374 -23.379 1.00 0.00 C ATOM 1659 C ASN A 112 18.136 9.807 -23.666 1.00 0.00 C ATOM 1660 O ASN A 112 18.542 8.814 -23.064 1.00 0.00 O ATOM 1661 CB ASN A 112 16.915 11.660 -22.569 1.00 0.00 C ATOM 1662 CG ASN A 112 16.338 12.862 -23.319 1.00 0.00 C ATOM 1663 OD1 ASN A 112 16.700 13.155 -24.446 1.00 0.00 O ATOM 1664 ND2 ASN A 112 15.422 13.539 -22.632 1.00 0.00 N ATOM 0 H ASN A 112 16.026 9.475 -21.628 1.00 0.00 H new ATOM 0 HA ASN A 112 16.213 10.599 -24.304 1.00 0.00 H new ATOM 0 HB2 ASN A 112 16.417 11.555 -21.605 1.00 0.00 H new ATOM 0 HB3 ASN A 112 17.973 11.828 -22.365 1.00 0.00 H new ATOM 0 HD21 ASN A 112 14.977 14.358 -23.046 1.00 0.00 H new ATOM 0 HD22 ASN A 112 15.165 13.239 -21.692 1.00 0.00 H new ATOM 1671 N SER A 113 18.829 10.462 -24.585 1.00 0.00 N ATOM 1672 CA SER A 113 20.167 10.036 -24.959 1.00 0.00 C ATOM 1673 C SER A 113 20.847 11.121 -25.796 1.00 0.00 C ATOM 1674 O SER A 113 20.893 11.026 -27.022 1.00 0.00 O ATOM 1675 CB SER A 113 20.129 8.715 -25.730 1.00 0.00 C ATOM 1676 OG SER A 113 20.856 7.687 -25.064 1.00 0.00 O ATOM 0 H SER A 113 18.489 11.285 -25.082 1.00 0.00 H new ATOM 0 HA SER A 113 20.743 9.876 -24.047 1.00 0.00 H new ATOM 0 HB2 SER A 113 19.093 8.401 -25.860 1.00 0.00 H new ATOM 0 HB3 SER A 113 20.544 8.865 -26.727 1.00 0.00 H new ATOM 0 HG SER A 113 20.806 6.860 -25.587 1.00 0.00 H new ATOM 1682 N SER A 114 21.359 12.126 -25.102 1.00 0.00 N ATOM 1683 CA SER A 114 22.034 13.228 -25.766 1.00 0.00 C ATOM 1684 C SER A 114 23.535 12.944 -25.855 1.00 0.00 C ATOM 1685 O SER A 114 24.033 12.012 -25.226 1.00 0.00 O ATOM 1686 CB SER A 114 21.786 14.548 -25.035 1.00 0.00 C ATOM 1687 OG SER A 114 20.542 15.137 -25.402 1.00 0.00 O ATOM 0 H SER A 114 21.320 12.201 -24.085 1.00 0.00 H new ATOM 0 HA SER A 114 21.627 13.321 -26.773 1.00 0.00 H new ATOM 0 HB2 SER A 114 21.801 14.375 -23.959 1.00 0.00 H new ATOM 0 HB3 SER A 114 22.596 15.243 -25.258 1.00 0.00 H new ATOM 0 HG SER A 114 20.421 15.977 -24.912 1.00 0.00 H new ATOM 1693 N GLY A 115 24.215 13.765 -26.643 1.00 0.00 N ATOM 1694 CA GLY A 115 25.648 13.614 -26.822 1.00 0.00 C ATOM 1695 C GLY A 115 26.329 14.977 -26.972 1.00 0.00 C ATOM 1696 O GLY A 115 25.686 15.957 -27.344 1.00 0.00 O ATOM 0 H GLY A 115 23.799 14.537 -27.164 1.00 0.00 H new ATOM 0 HA2 GLY A 115 26.071 13.084 -25.968 1.00 0.00 H new ATOM 0 HA3 GLY A 115 25.846 13.006 -27.705 1.00 0.00 H new ATOM 1700 N PRO A 116 27.654 14.994 -26.668 1.00 0.00 N ATOM 1701 CA PRO A 116 28.428 16.220 -26.766 1.00 0.00 C ATOM 1702 C PRO A 116 28.724 16.567 -28.226 1.00 0.00 C ATOM 1703 O PRO A 116 28.553 15.731 -29.113 1.00 0.00 O ATOM 1704 CB PRO A 116 29.685 15.957 -25.951 1.00 0.00 C ATOM 1705 CG PRO A 116 29.785 14.447 -25.815 1.00 0.00 C ATOM 1706 CD PRO A 116 28.448 13.852 -26.224 1.00 0.00 C ATOM 0 HA PRO A 116 27.893 17.088 -26.380 1.00 0.00 H new ATOM 0 HB2 PRO A 116 30.565 16.363 -26.449 1.00 0.00 H new ATOM 0 HB3 PRO A 116 29.623 16.434 -24.973 1.00 0.00 H new ATOM 0 HG2 PRO A 116 30.584 14.059 -26.446 1.00 0.00 H new ATOM 0 HG3 PRO A 116 30.027 14.172 -24.789 1.00 0.00 H new ATOM 0 HD2 PRO A 116 28.568 13.119 -27.022 1.00 0.00 H new ATOM 0 HD3 PRO A 116 27.971 13.339 -25.389 1.00 0.00 H new ATOM 1714 N SER A 117 29.162 17.800 -28.431 1.00 0.00 N ATOM 1715 CA SER A 117 29.483 18.268 -29.769 1.00 0.00 C ATOM 1716 C SER A 117 30.070 19.679 -29.703 1.00 0.00 C ATOM 1717 O SER A 117 29.995 20.339 -28.667 1.00 0.00 O ATOM 1718 CB SER A 117 28.247 18.248 -30.670 1.00 0.00 C ATOM 1719 OG SER A 117 28.034 16.967 -31.257 1.00 0.00 O ATOM 0 H SER A 117 29.302 18.490 -27.693 1.00 0.00 H new ATOM 0 HA SER A 117 30.224 17.594 -30.199 1.00 0.00 H new ATOM 0 HB2 SER A 117 27.370 18.530 -30.088 1.00 0.00 H new ATOM 0 HB3 SER A 117 28.360 18.993 -31.457 1.00 0.00 H new ATOM 0 HG SER A 117 28.185 16.270 -30.585 1.00 0.00 H new ATOM 1725 N SER A 118 30.642 20.100 -30.821 1.00 0.00 N ATOM 1726 CA SER A 118 31.241 21.421 -30.904 1.00 0.00 C ATOM 1727 C SER A 118 31.741 21.681 -32.326 1.00 0.00 C ATOM 1728 O SER A 118 31.845 20.756 -33.130 1.00 0.00 O ATOM 1729 CB SER A 118 32.389 21.569 -29.903 1.00 0.00 C ATOM 1730 OG SER A 118 32.940 22.883 -29.912 1.00 0.00 O ATOM 0 H SER A 118 30.703 19.549 -31.677 1.00 0.00 H new ATOM 0 HA SER A 118 30.478 22.158 -30.653 1.00 0.00 H new ATOM 0 HB2 SER A 118 32.029 21.334 -28.901 1.00 0.00 H new ATOM 0 HB3 SER A 118 33.171 20.847 -30.139 1.00 0.00 H new ATOM 0 HG SER A 118 33.668 22.937 -29.259 1.00 0.00 H new ATOM 1736 N GLY A 119 32.037 22.945 -32.593 1.00 0.00 N ATOM 1737 CA GLY A 119 32.523 23.338 -33.905 1.00 0.00 C ATOM 1738 C GLY A 119 32.900 24.821 -33.928 1.00 0.00 C ATOM 1739 O GLY A 119 32.058 25.675 -34.203 1.00 0.00 O ATOM 0 H GLY A 119 31.950 23.710 -31.924 1.00 0.00 H new ATOM 0 HA2 GLY A 119 33.391 22.734 -34.171 1.00 0.00 H new ATOM 0 HA3 GLY A 119 31.756 23.142 -34.655 1.00 0.00 H new TER 1743 GLY A 119