USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1124 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 83 ASN : amide:sc= -4.23! C(o=-8.2!,f=-11!) USER MOD Set 1.2: A 84 ASN : amide:sc= -4.02! K(o=-8.2!,f=-5.3) USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= -0.579 USER MOD Set 2.2: A 57 CYS SG : rot -87:sc= 1.68 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.312 (180deg=-0.627) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.26) USER MOD Single : A 9 THR OG1 : rot -1:sc= 0.804 USER MOD Single : A 13 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.9) USER MOD Single : A 18 HIS : no HD1:sc= -0.975 K(o=-0.97,f=-3.3!) USER MOD Single : A 22 ASN : amide:sc= -3.21! C(o=-3.2!,f=-8.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.313 USER MOD Single : A 29 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.7!) USER MOD Single : A 32 GLN : amide:sc= -1.02 K(o=-1,f=-0.046) USER MOD Single : A 34 MET CE :methyl 172:sc= -1.3 (180deg=-1.7) USER MOD Single : A 35 GLN : amide:sc= -0.603 K(o=-0.6,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= -0.0361 (180deg=-0.0379) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 53 SER OG : rot 180:sc= 0.365 USER MOD Single : A 54 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.74!) USER MOD Single : A 56 CYS SG : rot 54:sc= 0.915 USER MOD Single : A 60 TYR OH : rot -76:sc= 0.312 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 70 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 145:sc= -0.287 (180deg=-1.77!) USER MOD Single : A 81 ASN : amide:sc= -0.0987 X(o=-0.099,f=-0.1) USER MOD Single : A 82 SER OG : rot -107:sc= -1.46! USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= -1.73! (180deg=-3.54!) USER MOD Single : A 93 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.306) USER MOD Single : A 94 THR OG1 : rot -160:sc= -1.43 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 120:sc= -0.506 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 93:sc= 0.79 USER MOD Single : A 114 MET CE :methyl -138:sc=-0.00278 (180deg=-0.496) USER MOD Single : A 121 SER OG : rot 148:sc= 0.533 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -37:sc= 0.835 USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc=-0.000218 K(o=-0.00022,f=-0.69) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.42) USER MOD Single : A 137 THR OG1 : rot 75:sc= 0.00204 USER MOD Single : A 138 LYS NZ :NH3+ 146:sc= -0.124 (180deg=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.722 -46.706 18.888 1.00 0.00 N ATOM 2 CA MET A 1 -4.058 -45.278 19.148 1.00 0.00 C ATOM 3 C MET A 1 -2.964 -44.647 20.002 1.00 0.00 C ATOM 4 O MET A 1 -2.947 -43.434 20.211 1.00 0.00 O ATOM 5 CB MET A 1 -5.400 -45.197 19.879 1.00 0.00 C ATOM 6 CG MET A 1 -6.531 -45.565 18.918 1.00 0.00 C ATOM 7 SD MET A 1 -8.061 -45.807 19.853 1.00 0.00 S ATOM 8 CE MET A 1 -8.846 -46.969 18.710 1.00 0.00 C ATOM 0 H1 MET A 1 -4.326 -47.071 18.124 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.724 -46.782 18.606 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.881 -47.263 19.752 1.00 0.00 H new ATOM 0 HA MET A 1 -4.130 -44.740 18.203 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.401 -45.873 20.734 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.553 -44.191 20.268 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.665 -44.776 18.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.278 -46.474 18.372 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.823 -47.257 19.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.968 -46.495 17.736 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.221 -47.856 18.606 1.00 0.00 H new ATOM 20 N GLU A 2 -2.053 -45.478 20.497 1.00 0.00 N ATOM 21 CA GLU A 2 -0.961 -44.989 21.330 1.00 0.00 C ATOM 22 C GLU A 2 0.065 -44.240 20.486 1.00 0.00 C ATOM 23 O GLU A 2 1.137 -43.878 20.971 1.00 0.00 O ATOM 24 CB GLU A 2 -0.281 -46.161 22.042 1.00 0.00 C ATOM 25 CG GLU A 2 -1.324 -46.949 22.838 1.00 0.00 C ATOM 26 CD GLU A 2 -0.861 -48.391 23.017 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.034 -48.624 23.883 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.341 -49.242 22.285 1.00 0.00 O ATOM 0 H GLU A 2 -2.049 -46.485 20.338 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.374 -44.304 22.071 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.204 -46.811 21.314 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.499 -45.792 22.709 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.478 -46.484 23.812 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.282 -46.928 22.319 1.00 0.00 H new ATOM 35 N LYS A 3 -0.271 -44.011 19.221 1.00 0.00 N ATOM 36 CA LYS A 3 0.630 -43.303 18.319 1.00 0.00 C ATOM 37 C LYS A 3 0.338 -41.806 18.336 1.00 0.00 C ATOM 38 O LYS A 3 -0.375 -41.312 19.209 1.00 0.00 O ATOM 39 CB LYS A 3 0.474 -43.839 16.895 1.00 0.00 C ATOM 40 CG LYS A 3 1.856 -44.010 16.260 1.00 0.00 C ATOM 41 CD LYS A 3 1.706 -44.606 14.857 1.00 0.00 C ATOM 42 CE LYS A 3 2.522 -45.897 14.759 1.00 0.00 C ATOM 43 NZ LYS A 3 2.670 -46.284 13.328 1.00 0.00 N ATOM 0 H LYS A 3 -1.153 -44.303 18.800 1.00 0.00 H new ATOM 0 HA LYS A 3 1.653 -43.466 18.657 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.052 -44.794 16.910 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.129 -43.152 16.301 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.364 -43.047 16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.474 -44.661 16.879 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.656 -44.811 14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.047 -43.891 14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.503 -45.755 15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.028 -46.695 15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.225 -47.161 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.730 -46.436 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.159 -45.525 12.812 1.00 0.00 H new ATOM 57 N ASN A 4 0.894 -41.091 17.364 1.00 0.00 N ATOM 58 CA ASN A 4 0.687 -39.651 17.275 1.00 0.00 C ATOM 59 C ASN A 4 0.217 -39.262 15.877 1.00 0.00 C ATOM 60 O ASN A 4 0.477 -39.970 14.903 1.00 0.00 O ATOM 61 CB ASN A 4 1.988 -38.915 17.603 1.00 0.00 C ATOM 62 CG ASN A 4 1.892 -38.279 18.985 1.00 0.00 C ATOM 63 OD1 ASN A 4 2.453 -37.208 19.217 1.00 0.00 O ATOM 64 ND2 ASN A 4 1.211 -38.879 19.923 1.00 0.00 N ATOM 0 H ASN A 4 1.487 -41.482 16.632 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.081 -39.368 17.995 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.827 -39.610 17.571 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.181 -38.148 16.853 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.143 -38.461 20.851 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.747 -39.766 19.728 1.00 0.00 H new ATOM 71 N PRO A 5 -0.467 -38.156 15.767 1.00 0.00 N ATOM 72 CA PRO A 5 -0.989 -37.654 14.463 1.00 0.00 C ATOM 73 C PRO A 5 0.125 -37.121 13.566 1.00 0.00 C ATOM 74 O PRO A 5 1.230 -36.839 14.029 1.00 0.00 O ATOM 75 CB PRO A 5 -1.953 -36.535 14.863 1.00 0.00 C ATOM 76 CG PRO A 5 -1.491 -36.069 16.204 1.00 0.00 C ATOM 77 CD PRO A 5 -0.815 -37.262 16.881 1.00 0.00 C ATOM 0 HA PRO A 5 -1.466 -38.443 13.882 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.933 -35.722 14.137 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.980 -36.899 14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.795 -35.236 16.105 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.331 -35.713 16.799 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.071 -36.955 17.438 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.484 -37.750 17.590 1.00 0.00 H new ATOM 85 N PRO A 6 -0.151 -36.981 12.298 1.00 0.00 N ATOM 86 CA PRO A 6 0.841 -36.471 11.306 1.00 0.00 C ATOM 87 C PRO A 6 1.244 -35.025 11.589 1.00 0.00 C ATOM 88 O PRO A 6 0.536 -34.299 12.286 1.00 0.00 O ATOM 89 CB PRO A 6 0.117 -36.584 9.960 1.00 0.00 C ATOM 90 CG PRO A 6 -1.339 -36.664 10.287 1.00 0.00 C ATOM 91 CD PRO A 6 -1.442 -37.295 11.673 1.00 0.00 C ATOM 0 HA PRO A 6 1.772 -37.037 11.336 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.329 -35.722 9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.444 -37.468 9.413 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.793 -35.673 10.278 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.869 -37.264 9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.273 -36.878 12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.605 -38.371 11.612 1.00 0.00 H new ATOM 99 N ASP A 7 2.386 -34.617 11.044 1.00 0.00 N ATOM 100 CA ASP A 7 2.874 -33.256 11.247 1.00 0.00 C ATOM 101 C ASP A 7 2.714 -32.430 9.974 1.00 0.00 C ATOM 102 O ASP A 7 3.651 -31.767 9.531 1.00 0.00 O ATOM 103 CB ASP A 7 4.348 -33.285 11.656 1.00 0.00 C ATOM 104 CG ASP A 7 4.916 -31.870 11.657 1.00 0.00 C ATOM 105 OD1 ASP A 7 4.311 -31.011 12.277 1.00 0.00 O ATOM 106 OD2 ASP A 7 5.947 -31.667 11.038 1.00 0.00 O ATOM 0 H ASP A 7 2.986 -35.203 10.464 1.00 0.00 H new ATOM 0 HA ASP A 7 2.285 -32.796 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.451 -33.728 12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.913 -33.912 10.967 1.00 0.00 H new ATOM 111 N ASP A 8 1.520 -32.474 9.393 1.00 0.00 N ATOM 112 CA ASP A 8 1.245 -31.724 8.173 1.00 0.00 C ATOM 113 C ASP A 8 2.477 -31.683 7.272 1.00 0.00 C ATOM 114 O ASP A 8 3.131 -30.648 7.149 1.00 0.00 O ATOM 115 CB ASP A 8 0.819 -30.296 8.523 1.00 0.00 C ATOM 116 CG ASP A 8 -0.320 -30.326 9.536 1.00 0.00 C ATOM 117 OD1 ASP A 8 -1.190 -31.169 9.395 1.00 0.00 O ATOM 118 OD2 ASP A 8 -0.305 -29.505 10.438 1.00 0.00 O ATOM 0 H ASP A 8 0.732 -33.017 9.744 1.00 0.00 H new ATOM 0 HA ASP A 8 0.438 -32.225 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.666 -29.745 8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.502 -29.771 7.622 1.00 0.00 H new ATOM 123 N THR A 9 2.782 -32.812 6.641 1.00 0.00 N ATOM 124 CA THR A 9 3.934 -32.888 5.749 1.00 0.00 C ATOM 125 C THR A 9 3.577 -32.324 4.378 1.00 0.00 C ATOM 126 O THR A 9 4.414 -32.270 3.477 1.00 0.00 O ATOM 127 CB THR A 9 4.391 -34.342 5.605 1.00 0.00 C ATOM 128 OG1 THR A 9 5.367 -34.429 4.577 1.00 0.00 O ATOM 129 CG2 THR A 9 3.193 -35.223 5.250 1.00 0.00 C ATOM 0 H THR A 9 2.253 -33.680 6.729 1.00 0.00 H new ATOM 0 HA THR A 9 4.745 -32.298 6.176 1.00 0.00 H new ATOM 0 HB THR A 9 4.822 -34.683 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.515 -33.541 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.520 -36.258 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.445 -35.155 6.040 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.759 -34.885 4.309 1.00 0.00 H new ATOM 137 N GLY A 10 2.325 -31.906 4.233 1.00 0.00 N ATOM 138 CA GLY A 10 1.851 -31.344 2.975 1.00 0.00 C ATOM 139 C GLY A 10 0.419 -30.844 3.122 1.00 0.00 C ATOM 140 O GLY A 10 -0.518 -31.439 2.590 1.00 0.00 O ATOM 0 H GLY A 10 1.621 -31.946 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.500 -30.523 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.900 -32.099 2.191 1.00 0.00 H new ATOM 144 N PRO A 11 0.241 -29.770 3.843 1.00 0.00 N ATOM 145 CA PRO A 11 -1.100 -29.171 4.086 1.00 0.00 C ATOM 146 C PRO A 11 -1.603 -28.359 2.896 1.00 0.00 C ATOM 147 O PRO A 11 -1.244 -27.193 2.732 1.00 0.00 O ATOM 148 CB PRO A 11 -0.870 -28.272 5.299 1.00 0.00 C ATOM 149 CG PRO A 11 0.569 -27.876 5.230 1.00 0.00 C ATOM 150 CD PRO A 11 1.309 -29.007 4.508 1.00 0.00 C ATOM 0 HA PRO A 11 -1.864 -29.932 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.520 -27.398 5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.088 -28.800 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.685 -26.935 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.976 -27.725 6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.027 -28.616 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.866 -29.629 5.208 1.00 0.00 H new ATOM 158 N VAL A 12 -2.443 -28.980 2.075 1.00 0.00 N ATOM 159 CA VAL A 12 -2.996 -28.300 0.912 1.00 0.00 C ATOM 160 C VAL A 12 -4.057 -27.295 1.347 1.00 0.00 C ATOM 161 O VAL A 12 -4.981 -26.986 0.595 1.00 0.00 O ATOM 162 CB VAL A 12 -3.614 -29.319 -0.046 1.00 0.00 C ATOM 163 CG1 VAL A 12 -3.653 -28.735 -1.459 1.00 0.00 C ATOM 164 CG2 VAL A 12 -2.767 -30.594 -0.046 1.00 0.00 C ATOM 0 H VAL A 12 -2.753 -29.945 2.192 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.192 -27.770 0.401 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.628 -29.553 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.094 -29.462 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.254 -27.826 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.639 -28.501 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.206 -31.322 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.754 -30.358 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.738 -31.011 0.960 1.00 0.00 H new ATOM 174 N HIS A 13 -3.918 -26.792 2.571 1.00 0.00 N ATOM 175 CA HIS A 13 -4.869 -25.824 3.106 1.00 0.00 C ATOM 176 C HIS A 13 -4.222 -24.445 3.217 1.00 0.00 C ATOM 177 O HIS A 13 -4.458 -23.711 4.177 1.00 0.00 O ATOM 178 CB HIS A 13 -5.354 -26.282 4.485 1.00 0.00 C ATOM 179 CG HIS A 13 -6.746 -26.843 4.373 1.00 0.00 C ATOM 180 ND1 HIS A 13 -7.305 -27.198 3.155 1.00 0.00 N ATOM 181 CD2 HIS A 13 -7.703 -27.115 5.319 1.00 0.00 C ATOM 182 CE1 HIS A 13 -8.546 -27.660 3.399 1.00 0.00 C ATOM 183 NE2 HIS A 13 -8.838 -27.631 4.701 1.00 0.00 N ATOM 0 H HIS A 13 -3.160 -27.038 3.208 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.719 -25.757 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.678 -27.037 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.344 -25.444 5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.592 -26.953 6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.223 -28.011 2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.707 -27.924 5.147 1.00 0.00 H new ATOM 191 N VAL A 14 -3.406 -24.098 2.228 1.00 0.00 N ATOM 192 CA VAL A 14 -2.732 -22.809 2.224 1.00 0.00 C ATOM 193 C VAL A 14 -3.622 -21.735 1.596 1.00 0.00 C ATOM 194 O VAL A 14 -3.573 -20.570 1.991 1.00 0.00 O ATOM 195 CB VAL A 14 -1.417 -22.917 1.448 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.065 -21.562 0.835 1.00 0.00 C ATOM 197 CG2 VAL A 14 -0.299 -23.352 2.399 1.00 0.00 C ATOM 0 H VAL A 14 -3.197 -24.689 1.423 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.522 -22.522 3.254 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.528 -23.654 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.128 -21.644 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.860 -21.252 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.956 -20.822 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.638 -23.429 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.192 -22.616 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.546 -24.321 2.832 1.00 0.00 H new ATOM 207 N PRO A 15 -4.423 -22.105 0.631 1.00 0.00 N ATOM 208 CA PRO A 15 -5.337 -21.152 -0.066 1.00 0.00 C ATOM 209 C PRO A 15 -6.315 -20.483 0.898 1.00 0.00 C ATOM 210 O PRO A 15 -7.082 -19.604 0.505 1.00 0.00 O ATOM 211 CB PRO A 15 -6.086 -22.021 -1.084 1.00 0.00 C ATOM 212 CG PRO A 15 -5.286 -23.275 -1.221 1.00 0.00 C ATOM 213 CD PRO A 15 -4.546 -23.468 0.099 1.00 0.00 C ATOM 0 HA PRO A 15 -4.786 -20.334 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.098 -22.239 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.177 -21.509 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.934 -24.127 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.584 -23.197 -2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.101 -24.115 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.570 -23.928 -0.053 1.00 0.00 H new ATOM 221 N LEU A 16 -6.282 -20.904 2.158 1.00 0.00 N ATOM 222 CA LEU A 16 -7.171 -20.336 3.166 1.00 0.00 C ATOM 223 C LEU A 16 -6.790 -18.889 3.459 1.00 0.00 C ATOM 224 O LEU A 16 -7.297 -17.962 2.827 1.00 0.00 O ATOM 225 CB LEU A 16 -7.092 -21.157 4.455 1.00 0.00 C ATOM 226 CG LEU A 16 -8.356 -22.006 4.600 1.00 0.00 C ATOM 227 CD1 LEU A 16 -9.544 -21.101 4.934 1.00 0.00 C ATOM 228 CD2 LEU A 16 -8.630 -22.741 3.285 1.00 0.00 C ATOM 0 H LEU A 16 -5.655 -21.630 2.504 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.191 -20.362 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.211 -21.798 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.986 -20.495 5.314 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.216 -22.732 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.445 -21.706 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.350 -20.576 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.685 -20.375 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.531 -23.346 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.770 -22.015 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.785 -23.386 3.046 1.00 0.00 H new ATOM 240 N GLY A 17 -5.891 -18.704 4.420 1.00 0.00 N ATOM 241 CA GLY A 17 -5.445 -17.366 4.789 1.00 0.00 C ATOM 242 C GLY A 17 -3.931 -17.246 4.655 1.00 0.00 C ATOM 243 O GLY A 17 -3.189 -17.565 5.584 1.00 0.00 O ATOM 0 H GLY A 17 -5.460 -19.458 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.931 -16.627 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.743 -17.148 5.815 1.00 0.00 H new ATOM 247 N HIS A 18 -3.479 -16.791 3.491 1.00 0.00 N ATOM 248 CA HIS A 18 -2.050 -16.641 3.246 1.00 0.00 C ATOM 249 C HIS A 18 -1.757 -15.318 2.546 1.00 0.00 C ATOM 250 O HIS A 18 -2.599 -14.787 1.821 1.00 0.00 O ATOM 251 CB HIS A 18 -1.549 -17.797 2.379 1.00 0.00 C ATOM 252 CG HIS A 18 -2.268 -17.778 1.059 1.00 0.00 C ATOM 253 ND1 HIS A 18 -3.651 -17.789 0.970 1.00 0.00 N ATOM 254 CD2 HIS A 18 -1.810 -17.745 -0.235 1.00 0.00 C ATOM 255 CE1 HIS A 18 -3.974 -17.763 -0.335 1.00 0.00 C ATOM 256 NE2 HIS A 18 -2.889 -17.736 -1.114 1.00 0.00 N ATOM 0 H HIS A 18 -4.076 -16.522 2.709 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.534 -16.651 4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.474 -17.709 2.222 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.720 -18.747 2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.770 -17.729 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.987 -17.764 -0.708 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.858 -17.714 -2.133 1.00 0.00 H new ATOM 264 N ILE A 19 -0.554 -14.795 2.763 1.00 0.00 N ATOM 265 CA ILE A 19 -0.154 -13.536 2.144 1.00 0.00 C ATOM 266 C ILE A 19 1.118 -13.731 1.324 1.00 0.00 C ATOM 267 O ILE A 19 2.063 -14.380 1.773 1.00 0.00 O ATOM 268 CB ILE A 19 0.086 -12.473 3.218 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.107 -12.437 4.179 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.247 -11.105 2.551 1.00 0.00 C ATOM 271 CD1 ILE A 19 -2.189 -11.509 3.623 1.00 0.00 C ATOM 0 H ILE A 19 0.157 -15.220 3.359 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.956 -13.204 1.485 1.00 0.00 H new ATOM 0 HB ILE A 19 0.991 -12.716 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.509 -13.441 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.785 -12.089 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.418 -10.346 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.096 -11.131 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.659 -10.863 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.036 -11.486 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.784 -10.503 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.519 -11.876 2.651 1.00 0.00 H new ATOM 283 N VAL A 20 1.134 -13.168 0.121 1.00 0.00 N ATOM 284 CA VAL A 20 2.295 -13.292 -0.753 1.00 0.00 C ATOM 285 C VAL A 20 3.192 -12.063 -0.640 1.00 0.00 C ATOM 286 O VAL A 20 2.722 -10.964 -0.344 1.00 0.00 O ATOM 287 CB VAL A 20 1.840 -13.463 -2.203 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.914 -14.215 -2.990 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.534 -14.260 -2.236 1.00 0.00 C ATOM 0 H VAL A 20 0.363 -12.626 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 20 2.864 -14.169 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 20 1.681 -12.482 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.589 -14.337 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.845 -13.649 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.074 -15.196 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.209 -14.383 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.695 -15.240 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.233 -13.726 -1.675 1.00 0.00 H new ATOM 299 N ALA A 21 4.485 -12.257 -0.880 1.00 0.00 N ATOM 300 CA ALA A 21 5.443 -11.159 -0.803 1.00 0.00 C ATOM 301 C ALA A 21 6.440 -11.238 -1.955 1.00 0.00 C ATOM 302 O ALA A 21 7.053 -12.280 -2.186 1.00 0.00 O ATOM 303 CB ALA A 21 6.192 -11.213 0.529 1.00 0.00 C ATOM 0 H ALA A 21 4.892 -13.159 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 21 4.897 -10.218 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.905 -10.390 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.481 -11.127 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.725 -12.161 0.609 1.00 0.00 H new ATOM 309 N ASN A 22 6.597 -10.132 -2.675 1.00 0.00 N ATOM 310 CA ASN A 22 7.523 -10.091 -3.802 1.00 0.00 C ATOM 311 C ASN A 22 8.930 -10.476 -3.354 1.00 0.00 C ATOM 312 O ASN A 22 9.439 -9.961 -2.358 1.00 0.00 O ATOM 313 CB ASN A 22 7.543 -8.689 -4.413 1.00 0.00 C ATOM 314 CG ASN A 22 8.307 -8.707 -5.732 1.00 0.00 C ATOM 315 OD1 ASN A 22 8.835 -9.746 -6.129 1.00 0.00 O ATOM 316 ND2 ASN A 22 8.400 -7.613 -6.438 1.00 0.00 N ATOM 0 H ASN A 22 6.100 -9.259 -2.501 1.00 0.00 H new ATOM 0 HA ASN A 22 7.185 -10.807 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.523 -8.341 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.011 -7.988 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.911 -7.618 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.962 -6.754 -6.107 1.00 0.00 H new ATOM 323 N GLU A 23 9.551 -11.386 -4.097 1.00 0.00 N ATOM 324 CA GLU A 23 10.899 -11.838 -3.770 1.00 0.00 C ATOM 325 C GLU A 23 11.789 -10.655 -3.399 1.00 0.00 C ATOM 326 O GLU A 23 12.619 -10.751 -2.495 1.00 0.00 O ATOM 327 CB GLU A 23 11.505 -12.579 -4.962 1.00 0.00 C ATOM 328 CG GLU A 23 12.973 -12.899 -4.671 1.00 0.00 C ATOM 329 CD GLU A 23 13.299 -14.313 -5.140 1.00 0.00 C ATOM 330 OE1 GLU A 23 12.549 -15.215 -4.805 1.00 0.00 O ATOM 331 OE2 GLU A 23 14.294 -14.473 -5.828 1.00 0.00 O ATOM 0 H GLU A 23 9.146 -11.823 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 23 10.837 -12.512 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.952 -13.499 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.426 -11.969 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.618 -12.181 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.170 -12.806 -3.603 1.00 0.00 H new ATOM 338 N LYS A 24 11.611 -9.542 -4.102 1.00 0.00 N ATOM 339 CA LYS A 24 12.404 -8.348 -3.836 1.00 0.00 C ATOM 340 C LYS A 24 11.968 -7.699 -2.529 1.00 0.00 C ATOM 341 O LYS A 24 12.797 -7.366 -1.682 1.00 0.00 O ATOM 342 CB LYS A 24 12.244 -7.348 -4.982 1.00 0.00 C ATOM 343 CG LYS A 24 13.443 -6.398 -5.000 1.00 0.00 C ATOM 344 CD LYS A 24 13.044 -5.083 -5.675 1.00 0.00 C ATOM 345 CE LYS A 24 12.403 -4.154 -4.644 1.00 0.00 C ATOM 346 NZ LYS A 24 11.979 -2.890 -5.310 1.00 0.00 N ATOM 0 H LYS A 24 10.930 -9.442 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 24 13.451 -8.640 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.171 -7.876 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.320 -6.783 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.785 -6.208 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.275 -6.856 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.921 -4.607 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.346 -5.277 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.543 -4.641 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.111 -3.937 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.543 -2.258 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.809 -2.423 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.289 -3.106 -6.058 1.00 0.00 H new ATOM 360 N TRP A 25 10.661 -7.522 -2.372 1.00 0.00 N ATOM 361 CA TRP A 25 10.124 -6.911 -1.163 1.00 0.00 C ATOM 362 C TRP A 25 10.331 -7.829 0.038 1.00 0.00 C ATOM 363 O TRP A 25 9.666 -7.685 1.064 1.00 0.00 O ATOM 364 CB TRP A 25 8.633 -6.620 -1.346 1.00 0.00 C ATOM 365 CG TRP A 25 8.188 -5.622 -0.326 1.00 0.00 C ATOM 366 CD1 TRP A 25 7.199 -5.825 0.575 1.00 0.00 C ATOM 367 CD2 TRP A 25 8.691 -4.274 -0.086 1.00 0.00 C ATOM 368 NE1 TRP A 25 7.064 -4.690 1.353 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.961 -3.707 0.986 1.00 0.00 C ATOM 370 CE3 TRP A 25 9.699 -3.497 -0.686 1.00 0.00 C ATOM 371 CZ2 TRP A 25 8.223 -2.415 1.446 1.00 0.00 C ATOM 372 CZ3 TRP A 25 9.964 -2.197 -0.225 1.00 0.00 C ATOM 373 CH2 TRP A 25 9.228 -1.658 0.840 1.00 0.00 C ATOM 0 H TRP A 25 9.959 -7.791 -3.061 1.00 0.00 H new ATOM 0 HA TRP A 25 10.653 -5.976 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.447 -6.237 -2.349 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.057 -7.540 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.611 -6.726 0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.384 -4.591 2.107 1.00 0.00 H new ATOM 0 HE3 TRP A 25 10.273 -3.903 -1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.652 -2.004 2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 10.739 -1.609 -0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.438 -0.659 1.191 1.00 0.00 H new ATOM 384 N ARG A 26 11.261 -8.769 -0.098 1.00 0.00 N ATOM 385 CA ARG A 26 11.555 -9.704 0.983 1.00 0.00 C ATOM 386 C ARG A 26 12.638 -9.139 1.896 1.00 0.00 C ATOM 387 O ARG A 26 12.617 -9.355 3.108 1.00 0.00 O ATOM 388 CB ARG A 26 12.021 -11.042 0.406 1.00 0.00 C ATOM 389 CG ARG A 26 12.499 -11.949 1.542 1.00 0.00 C ATOM 390 CD ARG A 26 12.876 -13.319 0.976 1.00 0.00 C ATOM 391 NE ARG A 26 12.968 -14.302 2.050 1.00 0.00 N ATOM 392 CZ ARG A 26 14.057 -14.397 2.805 1.00 0.00 C ATOM 393 NH1 ARG A 26 15.067 -13.597 2.598 1.00 0.00 N ATOM 394 NH2 ARG A 26 14.117 -15.290 3.755 1.00 0.00 N ATOM 0 H ARG A 26 11.821 -8.903 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 26 10.645 -9.857 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.205 -11.520 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.828 -10.881 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.358 -11.501 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.714 -12.056 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.131 -13.636 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.829 -13.254 0.451 1.00 0.00 H new ATOM 0 HE ARG A 26 12.182 -14.928 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.021 -12.898 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.903 -13.670 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.328 -15.915 3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.953 -15.363 4.334 1.00 0.00 H new ATOM 408 N GLY A 27 13.583 -8.414 1.305 1.00 0.00 N ATOM 409 CA GLY A 27 14.671 -7.821 2.074 1.00 0.00 C ATOM 410 C GLY A 27 14.150 -6.720 2.989 1.00 0.00 C ATOM 411 O GLY A 27 14.813 -5.703 3.193 1.00 0.00 O ATOM 0 H GLY A 27 13.617 -8.224 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.164 -8.591 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.421 -7.412 1.396 1.00 0.00 H new ATOM 415 N SER A 28 12.958 -6.929 3.537 1.00 0.00 N ATOM 416 CA SER A 28 12.355 -5.946 4.429 1.00 0.00 C ATOM 417 C SER A 28 12.152 -6.536 5.821 1.00 0.00 C ATOM 418 O SER A 28 11.849 -7.721 5.965 1.00 0.00 O ATOM 419 CB SER A 28 11.008 -5.494 3.866 1.00 0.00 C ATOM 420 OG SER A 28 9.993 -6.387 4.305 1.00 0.00 O ATOM 0 H SER A 28 12.394 -7.764 3.381 1.00 0.00 H new ATOM 0 HA SER A 28 13.027 -5.091 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.784 -4.480 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.044 -5.473 2.777 1.00 0.00 H new ATOM 0 HG SER A 28 9.127 -6.099 3.947 1.00 0.00 H new ATOM 426 N GLN A 29 12.320 -5.702 6.842 1.00 0.00 N ATOM 427 CA GLN A 29 12.149 -6.154 8.218 1.00 0.00 C ATOM 428 C GLN A 29 10.670 -6.371 8.528 1.00 0.00 C ATOM 429 O GLN A 29 10.322 -7.066 9.482 1.00 0.00 O ATOM 430 CB GLN A 29 12.733 -5.121 9.185 1.00 0.00 C ATOM 431 CG GLN A 29 14.236 -5.361 9.343 1.00 0.00 C ATOM 432 CD GLN A 29 14.489 -6.414 10.417 1.00 0.00 C ATOM 433 OE1 GLN A 29 13.741 -6.500 11.391 1.00 0.00 O ATOM 434 NE2 GLN A 29 15.505 -7.225 10.298 1.00 0.00 N ATOM 0 H GLN A 29 12.572 -4.718 6.745 1.00 0.00 H new ATOM 0 HA GLN A 29 12.677 -7.100 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.552 -4.114 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.239 -5.194 10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.661 -5.688 8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.735 -4.430 9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.124 -7.152 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.680 -7.931 11.013 1.00 0.00 H new ATOM 443 N LEU A 30 9.805 -5.772 7.713 1.00 0.00 N ATOM 444 CA LEU A 30 8.366 -5.907 7.906 1.00 0.00 C ATOM 445 C LEU A 30 7.923 -7.337 7.607 1.00 0.00 C ATOM 446 O LEU A 30 7.343 -8.009 8.460 1.00 0.00 O ATOM 447 CB LEU A 30 7.627 -4.919 6.994 1.00 0.00 C ATOM 448 CG LEU A 30 6.298 -5.517 6.515 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.502 -6.049 7.710 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.482 -4.433 5.807 1.00 0.00 C ATOM 0 H LEU A 30 10.074 -5.192 6.918 1.00 0.00 H new ATOM 0 HA LEU A 30 8.124 -5.682 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.441 -3.989 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.251 -4.672 6.135 1.00 0.00 H new ATOM 0 HG LEU A 30 6.502 -6.337 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.560 -6.472 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.080 -6.821 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.298 -5.233 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.537 -4.854 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.285 -3.615 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.042 -4.057 4.951 1.00 0.00 H new ATOM 462 N ALA A 31 8.203 -7.797 6.393 1.00 0.00 N ATOM 463 CA ALA A 31 7.830 -9.150 5.997 1.00 0.00 C ATOM 464 C ALA A 31 8.108 -10.134 7.128 1.00 0.00 C ATOM 465 O ALA A 31 7.500 -11.202 7.198 1.00 0.00 O ATOM 466 CB ALA A 31 8.616 -9.566 4.752 1.00 0.00 C ATOM 0 H ALA A 31 8.683 -7.259 5.672 1.00 0.00 H new ATOM 0 HA ALA A 31 6.763 -9.162 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.331 -10.578 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.394 -8.879 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.684 -9.538 4.969 1.00 0.00 H new ATOM 472 N GLN A 32 9.030 -9.767 8.013 1.00 0.00 N ATOM 473 CA GLN A 32 9.380 -10.626 9.137 1.00 0.00 C ATOM 474 C GLN A 32 8.256 -10.644 10.168 1.00 0.00 C ATOM 475 O GLN A 32 7.847 -11.707 10.636 1.00 0.00 O ATOM 476 CB GLN A 32 10.668 -10.127 9.792 1.00 0.00 C ATOM 477 CG GLN A 32 11.268 -11.242 10.648 1.00 0.00 C ATOM 478 CD GLN A 32 12.148 -12.144 9.790 1.00 0.00 C ATOM 479 OE1 GLN A 32 13.374 -12.042 9.836 1.00 0.00 O ATOM 480 NE2 GLN A 32 11.593 -13.027 9.006 1.00 0.00 N ATOM 0 H GLN A 32 9.544 -8.887 7.974 1.00 0.00 H new ATOM 0 HA GLN A 32 9.531 -11.639 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.381 -9.817 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.460 -9.252 10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.856 -10.812 11.459 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.471 -11.828 11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.577 -13.110 8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.175 -13.635 8.430 1.00 0.00 H new ATOM 489 N GLU A 33 7.762 -9.461 10.517 1.00 0.00 N ATOM 490 CA GLU A 33 6.685 -9.354 11.494 1.00 0.00 C ATOM 491 C GLU A 33 5.534 -10.282 11.122 1.00 0.00 C ATOM 492 O GLU A 33 5.067 -11.068 11.946 1.00 0.00 O ATOM 493 CB GLU A 33 6.180 -7.911 11.560 1.00 0.00 C ATOM 494 CG GLU A 33 7.342 -6.977 11.906 1.00 0.00 C ATOM 495 CD GLU A 33 6.977 -6.116 13.110 1.00 0.00 C ATOM 496 OE1 GLU A 33 5.797 -5.875 13.306 1.00 0.00 O ATOM 497 OE2 GLU A 33 7.883 -5.710 13.819 1.00 0.00 O ATOM 0 H GLU A 33 8.087 -8.570 10.142 1.00 0.00 H new ATOM 0 HA GLU A 33 7.073 -9.646 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.742 -7.624 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.394 -7.824 12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.236 -7.561 12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.576 -6.342 11.052 1.00 0.00 H new ATOM 504 N MET A 34 5.082 -10.186 9.876 1.00 0.00 N ATOM 505 CA MET A 34 3.985 -11.025 9.407 1.00 0.00 C ATOM 506 C MET A 34 4.175 -12.465 9.872 1.00 0.00 C ATOM 507 O MET A 34 3.224 -13.119 10.299 1.00 0.00 O ATOM 508 CB MET A 34 3.915 -10.985 7.879 1.00 0.00 C ATOM 509 CG MET A 34 3.719 -9.541 7.415 1.00 0.00 C ATOM 510 SD MET A 34 2.587 -9.509 6.004 1.00 0.00 S ATOM 511 CE MET A 34 3.038 -7.868 5.390 1.00 0.00 C ATOM 0 H MET A 34 5.454 -9.542 9.178 1.00 0.00 H new ATOM 0 HA MET A 34 3.054 -10.641 9.824 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.830 -11.394 7.452 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.092 -11.607 7.526 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.319 -8.937 8.230 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.678 -9.104 7.136 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.556 -7.695 4.428 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.710 -7.110 6.102 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.120 -7.809 5.270 1.00 0.00 H new ATOM 521 N GLN A 35 5.409 -12.952 9.788 1.00 0.00 N ATOM 522 CA GLN A 35 5.709 -14.317 10.205 1.00 0.00 C ATOM 523 C GLN A 35 5.634 -14.443 11.723 1.00 0.00 C ATOM 524 O GLN A 35 6.145 -15.400 12.303 1.00 0.00 O ATOM 525 CB GLN A 35 7.107 -14.714 9.728 1.00 0.00 C ATOM 526 CG GLN A 35 7.290 -14.285 8.270 1.00 0.00 C ATOM 527 CD GLN A 35 8.068 -15.349 7.503 1.00 0.00 C ATOM 528 OE1 GLN A 35 8.423 -16.387 8.062 1.00 0.00 O ATOM 529 NE2 GLN A 35 8.356 -15.153 6.245 1.00 0.00 N ATOM 0 H GLN A 35 6.211 -12.427 9.438 1.00 0.00 H new ATOM 0 HA GLN A 35 4.970 -14.983 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.864 -14.243 10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.242 -15.792 9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.317 -14.129 7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.821 -13.334 8.227 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.062 -14.293 5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.875 -15.860 5.725 1.00 0.00 H new ATOM 538 N GLY A 36 4.992 -13.469 12.360 1.00 0.00 N ATOM 539 CA GLY A 36 4.854 -13.479 13.812 1.00 0.00 C ATOM 540 C GLY A 36 3.443 -13.886 14.222 1.00 0.00 C ATOM 541 O GLY A 36 3.176 -14.143 15.396 1.00 0.00 O ATOM 0 H GLY A 36 4.562 -12.668 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.577 -14.171 14.245 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.081 -12.490 14.210 1.00 0.00 H new ATOM 545 N LYS A 37 2.543 -13.941 13.246 1.00 0.00 N ATOM 546 CA LYS A 37 1.160 -14.318 13.515 1.00 0.00 C ATOM 547 C LYS A 37 0.534 -14.963 12.284 1.00 0.00 C ATOM 548 O LYS A 37 -0.165 -15.972 12.386 1.00 0.00 O ATOM 549 CB LYS A 37 0.350 -13.084 13.916 1.00 0.00 C ATOM 550 CG LYS A 37 0.317 -12.967 15.441 1.00 0.00 C ATOM 551 CD LYS A 37 -0.542 -11.767 15.843 1.00 0.00 C ATOM 552 CE LYS A 37 0.356 -10.553 16.081 1.00 0.00 C ATOM 553 NZ LYS A 37 0.839 -10.560 17.490 1.00 0.00 N ATOM 0 H LYS A 37 2.744 -13.731 12.268 1.00 0.00 H new ATOM 0 HA LYS A 37 1.151 -15.038 14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.794 -12.188 13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.665 -13.159 13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.088 -13.880 15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.329 -12.850 15.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.268 -11.548 15.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.107 -11.997 16.746 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.203 -10.574 15.395 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.195 -9.635 15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.450 -9.734 17.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.025 -10.520 18.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.380 -11.430 17.667 1.00 0.00 H new ATOM 567 N ILE A 38 0.792 -14.376 11.120 1.00 0.00 N ATOM 568 CA ILE A 38 0.251 -14.902 9.873 1.00 0.00 C ATOM 569 C ILE A 38 1.360 -15.521 9.028 1.00 0.00 C ATOM 570 O ILE A 38 2.540 -15.234 9.228 1.00 0.00 O ATOM 571 CB ILE A 38 -0.429 -13.783 9.084 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.369 -14.394 8.042 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.632 -12.938 8.377 1.00 0.00 C ATOM 574 CD1 ILE A 38 -2.486 -15.162 8.750 1.00 0.00 C ATOM 0 H ILE A 38 1.369 -13.541 11.015 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.482 -15.672 10.113 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.000 -13.153 9.766 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.793 -13.610 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.814 -15.063 7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.147 -12.140 7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.304 -12.503 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.203 -13.567 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.155 -15.597 8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.053 -15.956 9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.047 -14.481 9.390 1.00 0.00 H new ATOM 586 N LYS A 39 0.971 -16.370 8.084 1.00 0.00 N ATOM 587 CA LYS A 39 1.939 -17.024 7.213 1.00 0.00 C ATOM 588 C LYS A 39 2.261 -16.141 6.010 1.00 0.00 C ATOM 589 O LYS A 39 1.398 -15.417 5.512 1.00 0.00 O ATOM 590 CB LYS A 39 1.381 -18.364 6.731 1.00 0.00 C ATOM 591 CG LYS A 39 2.393 -19.035 5.801 1.00 0.00 C ATOM 592 CD LYS A 39 2.261 -20.554 5.912 1.00 0.00 C ATOM 593 CE LYS A 39 3.250 -21.223 4.956 1.00 0.00 C ATOM 594 NZ LYS A 39 2.705 -21.183 3.571 1.00 0.00 N ATOM 0 H LYS A 39 -0.001 -16.620 7.903 1.00 0.00 H new ATOM 0 HA LYS A 39 2.855 -17.193 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.171 -19.010 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.437 -18.210 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.222 -18.719 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.405 -18.727 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.456 -20.873 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.243 -20.860 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.212 -20.712 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.425 -22.255 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.384 -21.623 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.805 -21.704 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.544 -20.195 3.290 1.00 0.00 H new ATOM 608 N LEU A 40 3.506 -16.206 5.547 1.00 0.00 N ATOM 609 CA LEU A 40 3.927 -15.408 4.401 1.00 0.00 C ATOM 610 C LEU A 40 4.664 -16.273 3.383 1.00 0.00 C ATOM 611 O LEU A 40 5.485 -17.114 3.748 1.00 0.00 O ATOM 612 CB LEU A 40 4.842 -14.271 4.859 1.00 0.00 C ATOM 613 CG LEU A 40 4.945 -13.222 3.750 1.00 0.00 C ATOM 614 CD1 LEU A 40 3.645 -12.419 3.679 1.00 0.00 C ATOM 615 CD2 LEU A 40 6.111 -12.278 4.050 1.00 0.00 C ATOM 0 H LEU A 40 4.235 -16.798 5.944 1.00 0.00 H new ATOM 0 HA LEU A 40 3.036 -14.991 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.449 -13.817 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.831 -14.660 5.099 1.00 0.00 H new ATOM 0 HG LEU A 40 5.114 -13.720 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.721 -11.673 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.814 -13.091 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.473 -11.921 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.186 -11.530 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.941 -11.782 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.038 -12.849 4.098 1.00 0.00 H new ATOM 627 N ILE A 41 4.365 -16.058 2.107 1.00 0.00 N ATOM 628 CA ILE A 41 5.004 -16.821 1.041 1.00 0.00 C ATOM 629 C ILE A 41 5.693 -15.885 0.054 1.00 0.00 C ATOM 630 O ILE A 41 5.180 -14.810 -0.256 1.00 0.00 O ATOM 631 CB ILE A 41 3.960 -17.663 0.307 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.219 -18.545 1.315 1.00 0.00 C ATOM 633 CG2 ILE A 41 4.652 -18.548 -0.732 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.141 -19.354 0.592 1.00 0.00 C ATOM 0 H ILE A 41 3.688 -15.366 1.786 1.00 0.00 H new ATOM 0 HA ILE A 41 5.753 -17.477 1.485 1.00 0.00 H new ATOM 0 HB ILE A 41 3.250 -17.005 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.920 -19.216 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.766 -17.927 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.906 -19.147 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.181 -17.921 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.363 -19.207 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.614 -19.982 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.434 -18.674 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.606 -19.983 -0.167 1.00 0.00 H new ATOM 646 N PHE A 42 6.857 -16.299 -0.435 1.00 0.00 N ATOM 647 CA PHE A 42 7.607 -15.485 -1.384 1.00 0.00 C ATOM 648 C PHE A 42 7.330 -15.930 -2.817 1.00 0.00 C ATOM 649 O PHE A 42 7.351 -17.122 -3.122 1.00 0.00 O ATOM 650 CB PHE A 42 9.105 -15.595 -1.095 1.00 0.00 C ATOM 651 CG PHE A 42 9.320 -15.710 0.395 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.194 -16.953 1.028 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.644 -14.573 1.145 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.393 -17.058 2.409 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.843 -14.679 2.526 1.00 0.00 C ATOM 656 CZ PHE A 42 9.717 -15.921 3.159 1.00 0.00 C ATOM 0 H PHE A 42 7.299 -17.186 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 42 7.288 -14.449 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.522 -16.465 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.627 -14.720 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.943 -17.830 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.740 -13.614 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.297 -18.017 2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.094 -13.802 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.870 -16.002 4.225 1.00 0.00 H new ATOM 666 N GLU A 43 7.075 -14.963 -3.692 1.00 0.00 N ATOM 667 CA GLU A 43 6.799 -15.263 -5.092 1.00 0.00 C ATOM 668 C GLU A 43 7.688 -14.421 -6.001 1.00 0.00 C ATOM 669 O GLU A 43 7.642 -13.191 -5.965 1.00 0.00 O ATOM 670 CB GLU A 43 5.327 -14.983 -5.409 1.00 0.00 C ATOM 671 CG GLU A 43 4.601 -16.300 -5.692 1.00 0.00 C ATOM 672 CD GLU A 43 4.918 -16.775 -7.106 1.00 0.00 C ATOM 673 OE1 GLU A 43 6.016 -16.508 -7.567 1.00 0.00 O ATOM 674 OE2 GLU A 43 4.058 -17.397 -7.707 1.00 0.00 O ATOM 0 H GLU A 43 7.054 -13.970 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 43 7.011 -16.318 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.856 -14.470 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.250 -14.321 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.906 -17.056 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.526 -16.164 -5.577 1.00 0.00 H new ATOM 681 N ASP A 44 8.499 -15.091 -6.813 1.00 0.00 N ATOM 682 CA ASP A 44 9.399 -14.394 -7.726 1.00 0.00 C ATOM 683 C ASP A 44 8.716 -14.142 -9.067 1.00 0.00 C ATOM 684 O ASP A 44 8.447 -15.076 -9.823 1.00 0.00 O ATOM 685 CB ASP A 44 10.664 -15.226 -7.948 1.00 0.00 C ATOM 686 CG ASP A 44 10.303 -16.557 -8.598 1.00 0.00 C ATOM 687 OD1 ASP A 44 9.364 -17.184 -8.136 1.00 0.00 O ATOM 688 OD2 ASP A 44 10.971 -16.930 -9.548 1.00 0.00 O ATOM 0 H ASP A 44 8.552 -16.109 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 44 9.665 -13.436 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.362 -14.680 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.166 -15.401 -6.997 1.00 0.00 H new ATOM 693 N GLY A 45 8.440 -12.874 -9.358 1.00 0.00 N ATOM 694 CA GLY A 45 7.791 -12.515 -10.614 1.00 0.00 C ATOM 695 C GLY A 45 6.646 -11.535 -10.381 1.00 0.00 C ATOM 696 O GLY A 45 6.076 -10.996 -11.330 1.00 0.00 O ATOM 0 H GLY A 45 8.653 -12.085 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.522 -12.071 -11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.411 -13.414 -11.100 1.00 0.00 H new ATOM 700 N LEU A 46 6.311 -11.309 -9.115 1.00 0.00 N ATOM 701 CA LEU A 46 5.230 -10.391 -8.775 1.00 0.00 C ATOM 702 C LEU A 46 5.773 -8.986 -8.532 1.00 0.00 C ATOM 703 O LEU A 46 6.904 -8.818 -8.075 1.00 0.00 O ATOM 704 CB LEU A 46 4.500 -10.885 -7.524 1.00 0.00 C ATOM 705 CG LEU A 46 3.628 -12.089 -7.884 1.00 0.00 C ATOM 706 CD1 LEU A 46 3.041 -12.697 -6.609 1.00 0.00 C ATOM 707 CD2 LEU A 46 2.489 -11.637 -8.801 1.00 0.00 C ATOM 0 H LEU A 46 6.768 -11.745 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 46 4.532 -10.356 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.221 -11.162 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.884 -10.087 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 46 4.236 -12.835 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.420 -13.555 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.850 -13.019 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.434 -11.951 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.867 -12.494 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.883 -10.890 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.904 -11.204 -9.711 1.00 0.00 H new ATOM 719 N THR A 47 4.962 -7.980 -8.846 1.00 0.00 N ATOM 720 CA THR A 47 5.371 -6.592 -8.662 1.00 0.00 C ATOM 721 C THR A 47 4.860 -6.045 -7.331 1.00 0.00 C ATOM 722 O THR A 47 5.610 -5.431 -6.573 1.00 0.00 O ATOM 723 CB THR A 47 4.831 -5.733 -9.811 1.00 0.00 C ATOM 724 OG1 THR A 47 4.205 -6.571 -10.772 1.00 0.00 O ATOM 725 CG2 THR A 47 5.982 -4.970 -10.470 1.00 0.00 C ATOM 0 H THR A 47 4.023 -8.099 -9.227 1.00 0.00 H new ATOM 0 HA THR A 47 6.460 -6.555 -8.657 1.00 0.00 H new ATOM 0 HB THR A 47 4.105 -5.020 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.858 -6.023 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.594 -4.361 -11.286 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.461 -4.326 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.712 -5.679 -10.861 1.00 0.00 H new ATOM 733 N PRO A 48 3.603 -6.253 -7.042 1.00 0.00 N ATOM 734 CA PRO A 48 2.975 -5.768 -5.779 1.00 0.00 C ATOM 735 C PRO A 48 3.816 -6.101 -4.550 1.00 0.00 C ATOM 736 O PRO A 48 4.718 -6.936 -4.609 1.00 0.00 O ATOM 737 CB PRO A 48 1.633 -6.499 -5.737 1.00 0.00 C ATOM 738 CG PRO A 48 1.306 -6.804 -7.161 1.00 0.00 C ATOM 739 CD PRO A 48 2.640 -6.976 -7.889 1.00 0.00 C ATOM 0 HA PRO A 48 2.875 -4.683 -5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.701 -7.412 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.862 -5.879 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.705 -7.710 -7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.723 -5.998 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.907 -8.028 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.602 -6.559 -8.896 1.00 0.00 H new ATOM 747 N ASP A 49 3.512 -5.442 -3.436 1.00 0.00 N ATOM 748 CA ASP A 49 4.246 -5.676 -2.199 1.00 0.00 C ATOM 749 C ASP A 49 3.656 -6.863 -1.445 1.00 0.00 C ATOM 750 O ASP A 49 4.371 -7.798 -1.086 1.00 0.00 O ATOM 751 CB ASP A 49 4.197 -4.428 -1.316 1.00 0.00 C ATOM 752 CG ASP A 49 5.504 -3.654 -1.438 1.00 0.00 C ATOM 753 OD1 ASP A 49 6.108 -3.712 -2.496 1.00 0.00 O ATOM 754 OD2 ASP A 49 5.884 -3.014 -0.470 1.00 0.00 O ATOM 0 H ASP A 49 2.768 -4.747 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 49 5.283 -5.899 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.361 -3.795 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.029 -4.713 -0.277 1.00 0.00 H new ATOM 759 N PHE A 50 2.348 -6.822 -1.208 1.00 0.00 N ATOM 760 CA PHE A 50 1.681 -7.906 -0.497 1.00 0.00 C ATOM 761 C PHE A 50 0.372 -8.276 -1.188 1.00 0.00 C ATOM 762 O PHE A 50 -0.521 -7.443 -1.337 1.00 0.00 O ATOM 763 CB PHE A 50 1.404 -7.490 0.950 1.00 0.00 C ATOM 764 CG PHE A 50 2.709 -7.187 1.646 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.580 -8.229 1.985 1.00 0.00 C ATOM 766 CD2 PHE A 50 3.046 -5.864 1.955 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.789 -7.947 2.633 1.00 0.00 C ATOM 768 CE2 PHE A 50 4.255 -5.582 2.603 1.00 0.00 C ATOM 769 CZ PHE A 50 5.127 -6.624 2.941 1.00 0.00 C ATOM 0 H PHE A 50 1.735 -6.059 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 50 2.336 -8.777 -0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.757 -6.613 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.877 -8.287 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.320 -9.250 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.373 -5.060 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.461 -8.751 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.515 -4.561 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.060 -6.407 3.439 1.00 0.00 H new ATOM 779 N TYR A 51 0.269 -9.533 -1.609 1.00 0.00 N ATOM 780 CA TYR A 51 -0.932 -10.012 -2.286 1.00 0.00 C ATOM 781 C TYR A 51 -1.825 -10.771 -1.310 1.00 0.00 C ATOM 782 O TYR A 51 -1.464 -11.846 -0.832 1.00 0.00 O ATOM 783 CB TYR A 51 -0.540 -10.934 -3.444 1.00 0.00 C ATOM 784 CG TYR A 51 -1.250 -10.503 -4.706 1.00 0.00 C ATOM 785 CD1 TYR A 51 -2.627 -10.255 -4.687 1.00 0.00 C ATOM 786 CD2 TYR A 51 -0.528 -10.356 -5.897 1.00 0.00 C ATOM 787 CE1 TYR A 51 -3.284 -9.860 -5.859 1.00 0.00 C ATOM 788 CE2 TYR A 51 -1.184 -9.961 -7.069 1.00 0.00 C ATOM 789 CZ TYR A 51 -2.562 -9.713 -7.050 1.00 0.00 C ATOM 790 OH TYR A 51 -3.208 -9.324 -8.206 1.00 0.00 O ATOM 0 H TYR A 51 0.999 -10.236 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.481 -9.153 -2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.539 -10.904 -3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.800 -11.965 -3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.183 -10.368 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.535 -10.547 -5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.347 -9.669 -5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.627 -9.848 -7.988 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.561 -9.269 -8.940 1.00 0.00 H new ATOM 800 N LEU A 52 -2.991 -10.204 -1.017 1.00 0.00 N ATOM 801 CA LEU A 52 -3.925 -10.839 -0.093 1.00 0.00 C ATOM 802 C LEU A 52 -4.762 -11.892 -0.813 1.00 0.00 C ATOM 803 O LEU A 52 -4.966 -12.992 -0.300 1.00 0.00 O ATOM 804 CB LEU A 52 -4.847 -9.787 0.526 1.00 0.00 C ATOM 805 CG LEU A 52 -4.940 -10.015 2.036 1.00 0.00 C ATOM 806 CD1 LEU A 52 -5.665 -8.835 2.688 1.00 0.00 C ATOM 807 CD2 LEU A 52 -5.718 -11.304 2.309 1.00 0.00 C ATOM 0 H LEU A 52 -3.310 -9.315 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.350 -11.326 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.464 -8.787 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.838 -9.847 0.077 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.936 -10.099 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.731 -8.998 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.112 -7.916 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.669 -8.750 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.785 -11.468 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.721 -11.219 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.203 -12.145 1.845 1.00 0.00 H new ATOM 819 N SER A 53 -5.246 -11.549 -2.002 1.00 0.00 N ATOM 820 CA SER A 53 -6.060 -12.476 -2.779 1.00 0.00 C ATOM 821 C SER A 53 -5.692 -12.407 -4.257 1.00 0.00 C ATOM 822 O SER A 53 -4.625 -11.909 -4.619 1.00 0.00 O ATOM 823 CB SER A 53 -7.543 -12.144 -2.606 1.00 0.00 C ATOM 824 OG SER A 53 -8.323 -13.277 -2.966 1.00 0.00 O ATOM 0 H SER A 53 -5.091 -10.644 -2.446 1.00 0.00 H new ATOM 0 HA SER A 53 -5.869 -13.486 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.746 -11.862 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.812 -11.291 -3.229 1.00 0.00 H new ATOM 0 HG SER A 53 -9.274 -13.068 -2.855 1.00 0.00 H new ATOM 830 N ASN A 54 -6.581 -12.911 -5.106 1.00 0.00 N ATOM 831 CA ASN A 54 -6.340 -12.905 -6.544 1.00 0.00 C ATOM 832 C ASN A 54 -6.885 -11.627 -7.175 1.00 0.00 C ATOM 833 O ASN A 54 -6.642 -11.351 -8.350 1.00 0.00 O ATOM 834 CB ASN A 54 -7.010 -14.119 -7.188 1.00 0.00 C ATOM 835 CG ASN A 54 -6.357 -14.426 -8.531 1.00 0.00 C ATOM 836 OD1 ASN A 54 -5.849 -13.523 -9.197 1.00 0.00 O ATOM 837 ND2 ASN A 54 -6.339 -15.654 -8.971 1.00 0.00 N ATOM 0 H ASN A 54 -7.469 -13.326 -4.826 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.264 -12.949 -6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.927 -14.983 -6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.074 -13.926 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.904 -15.868 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.760 -16.400 -8.418 1.00 0.00 H new ATOM 844 N ARG A 55 -7.625 -10.852 -6.389 1.00 0.00 N ATOM 845 CA ARG A 55 -8.202 -9.607 -6.884 1.00 0.00 C ATOM 846 C ARG A 55 -7.811 -8.435 -5.990 1.00 0.00 C ATOM 847 O ARG A 55 -8.069 -7.278 -6.321 1.00 0.00 O ATOM 848 CB ARG A 55 -9.726 -9.721 -6.930 1.00 0.00 C ATOM 849 CG ARG A 55 -10.147 -10.475 -8.193 1.00 0.00 C ATOM 850 CD ARG A 55 -11.422 -11.272 -7.910 1.00 0.00 C ATOM 851 NE ARG A 55 -12.355 -10.470 -7.126 1.00 0.00 N ATOM 852 CZ ARG A 55 -13.643 -10.790 -7.054 1.00 0.00 C ATOM 853 NH1 ARG A 55 -14.091 -11.835 -7.694 1.00 0.00 N ATOM 854 NH2 ARG A 55 -14.459 -10.059 -6.345 1.00 0.00 N ATOM 0 H ARG A 55 -7.838 -11.062 -5.414 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.816 -9.428 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.088 -10.243 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.175 -8.728 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.318 -9.773 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.349 -11.146 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.888 -11.571 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.175 -12.187 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.013 -9.650 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.453 -12.405 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.079 -12.082 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.108 -9.242 -5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.447 -10.305 -6.290 1.00 0.00 H new ATOM 868 N CYS A 56 -7.195 -8.741 -4.852 1.00 0.00 N ATOM 869 CA CYS A 56 -6.785 -7.698 -3.917 1.00 0.00 C ATOM 870 C CYS A 56 -5.269 -7.682 -3.742 1.00 0.00 C ATOM 871 O CYS A 56 -4.644 -8.723 -3.534 1.00 0.00 O ATOM 872 CB CYS A 56 -7.451 -7.926 -2.559 1.00 0.00 C ATOM 873 SG CYS A 56 -7.873 -6.330 -1.817 1.00 0.00 S ATOM 0 H CYS A 56 -6.971 -9.691 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.097 -6.737 -4.325 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.349 -8.532 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.780 -8.479 -1.901 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.587 -5.638 -2.654 1.00 0.00 H new ATOM 879 N CYS A 57 -4.688 -6.488 -3.818 1.00 0.00 N ATOM 880 CA CYS A 57 -3.246 -6.329 -3.659 1.00 0.00 C ATOM 881 C CYS A 57 -2.951 -5.116 -2.781 1.00 0.00 C ATOM 882 O CYS A 57 -3.822 -4.273 -2.566 1.00 0.00 O ATOM 883 CB CYS A 57 -2.584 -6.149 -5.026 1.00 0.00 C ATOM 884 SG CYS A 57 -3.759 -6.595 -6.329 1.00 0.00 S ATOM 0 H CYS A 57 -5.193 -5.618 -3.988 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.843 -7.223 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.260 -5.116 -5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.693 -6.773 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.688 -7.873 -6.559 1.00 0.00 H new ATOM 890 N ILE A 58 -1.726 -5.028 -2.269 1.00 0.00 N ATOM 891 CA ILE A 58 -1.357 -3.906 -1.414 1.00 0.00 C ATOM 892 C ILE A 58 0.016 -3.361 -1.791 1.00 0.00 C ATOM 893 O ILE A 58 1.004 -4.095 -1.809 1.00 0.00 O ATOM 894 CB ILE A 58 -1.352 -4.346 0.050 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.775 -4.723 0.471 1.00 0.00 C ATOM 896 CG2 ILE A 58 -0.849 -3.199 0.927 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.736 -5.411 1.836 1.00 0.00 C ATOM 0 H ILE A 58 -0.983 -5.709 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.093 -3.114 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.695 -5.208 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.400 -3.831 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.222 -5.386 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.846 -3.513 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.163 -2.928 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.505 -2.337 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.749 -5.680 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.125 -6.311 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.306 -4.733 2.573 1.00 0.00 H new ATOM 909 N LEU A 59 0.067 -2.067 -2.088 1.00 0.00 N ATOM 910 CA LEU A 59 1.321 -1.423 -2.461 1.00 0.00 C ATOM 911 C LEU A 59 1.706 -0.371 -1.426 1.00 0.00 C ATOM 912 O LEU A 59 0.856 0.378 -0.943 1.00 0.00 O ATOM 913 CB LEU A 59 1.182 -0.765 -3.834 1.00 0.00 C ATOM 914 CG LEU A 59 2.537 -0.768 -4.542 1.00 0.00 C ATOM 915 CD1 LEU A 59 2.739 -2.107 -5.253 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.574 0.365 -5.569 1.00 0.00 C ATOM 0 H LEU A 59 -0.742 -1.446 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 59 2.102 -2.182 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.446 -1.301 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.820 0.257 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 59 3.331 -0.624 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.705 -2.109 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.710 -2.915 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.946 -2.253 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.539 0.366 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.780 0.218 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.429 1.320 -5.063 1.00 0.00 H new ATOM 928 N TYR A 60 2.989 -0.323 -1.085 1.00 0.00 N ATOM 929 CA TYR A 60 3.471 0.638 -0.099 1.00 0.00 C ATOM 930 C TYR A 60 4.033 1.883 -0.781 1.00 0.00 C ATOM 931 O TYR A 60 4.820 1.786 -1.723 1.00 0.00 O ATOM 932 CB TYR A 60 4.560 -0.004 0.762 1.00 0.00 C ATOM 933 CG TYR A 60 5.889 0.107 0.055 1.00 0.00 C ATOM 934 CD1 TYR A 60 6.099 -0.573 -1.151 1.00 0.00 C ATOM 935 CD2 TYR A 60 6.910 0.892 0.603 1.00 0.00 C ATOM 936 CE1 TYR A 60 7.330 -0.467 -1.808 1.00 0.00 C ATOM 937 CE2 TYR A 60 8.141 0.998 -0.054 1.00 0.00 C ATOM 938 CZ TYR A 60 8.351 0.318 -1.260 1.00 0.00 C ATOM 939 OH TYR A 60 9.565 0.422 -1.908 1.00 0.00 O ATOM 0 H TYR A 60 3.709 -0.933 -1.473 1.00 0.00 H new ATOM 0 HA TYR A 60 2.630 0.933 0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.610 0.490 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.321 -1.051 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.311 -1.179 -1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.748 1.416 1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.492 -0.991 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.929 1.604 0.369 1.00 0.00 H new ATOM 0 HH TYR A 60 10.079 -0.401 -1.773 1.00 0.00 H new ATOM 949 N VAL A 61 3.630 3.052 -0.290 1.00 0.00 N ATOM 950 CA VAL A 61 4.105 4.313 -0.849 1.00 0.00 C ATOM 951 C VAL A 61 4.596 5.231 0.266 1.00 0.00 C ATOM 952 O VAL A 61 4.104 5.171 1.393 1.00 0.00 O ATOM 953 CB VAL A 61 2.982 5.004 -1.626 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.493 6.333 -2.188 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.531 4.105 -2.779 1.00 0.00 C ATOM 0 H VAL A 61 2.979 3.152 0.489 1.00 0.00 H new ATOM 0 HA VAL A 61 4.931 4.101 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 61 2.141 5.190 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.693 6.825 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.815 6.975 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.335 6.146 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.731 4.597 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.373 3.919 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.167 3.158 -2.381 1.00 0.00 H new ATOM 965 N THR A 62 5.568 6.077 -0.053 1.00 0.00 N ATOM 966 CA THR A 62 6.116 7.000 0.935 1.00 0.00 C ATOM 967 C THR A 62 6.335 8.377 0.320 1.00 0.00 C ATOM 968 O THR A 62 6.473 8.510 -0.897 1.00 0.00 O ATOM 969 CB THR A 62 7.444 6.462 1.471 1.00 0.00 C ATOM 970 OG1 THR A 62 8.130 7.500 2.156 1.00 0.00 O ATOM 971 CG2 THR A 62 8.301 5.961 0.308 1.00 0.00 C ATOM 0 H THR A 62 5.990 6.144 -0.979 1.00 0.00 H new ATOM 0 HA THR A 62 5.403 7.091 1.754 1.00 0.00 H new ATOM 0 HB THR A 62 7.252 5.637 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.980 7.157 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.247 5.578 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.773 5.165 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.495 6.783 -0.381 1.00 0.00 H new ATOM 979 N GLU A 63 6.370 9.400 1.168 1.00 0.00 N ATOM 980 CA GLU A 63 6.576 10.762 0.694 1.00 0.00 C ATOM 981 C GLU A 63 7.604 10.781 -0.432 1.00 0.00 C ATOM 982 O GLU A 63 7.422 11.464 -1.440 1.00 0.00 O ATOM 983 CB GLU A 63 7.056 11.650 1.844 1.00 0.00 C ATOM 984 CG GLU A 63 7.267 13.076 1.334 1.00 0.00 C ATOM 985 CD GLU A 63 8.750 13.325 1.080 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.548 12.926 1.912 1.00 0.00 O ATOM 987 OE2 GLU A 63 9.066 13.911 0.058 1.00 0.00 O ATOM 0 H GLU A 63 6.259 9.312 2.178 1.00 0.00 H new ATOM 0 HA GLU A 63 5.628 11.145 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.323 11.646 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.986 11.258 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.701 13.230 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.889 13.792 2.064 1.00 0.00 H new ATOM 994 N ALA A 64 8.682 10.025 -0.254 1.00 0.00 N ATOM 995 CA ALA A 64 9.732 9.959 -1.265 1.00 0.00 C ATOM 996 C ALA A 64 9.124 9.752 -2.648 1.00 0.00 C ATOM 997 O ALA A 64 9.574 10.342 -3.630 1.00 0.00 O ATOM 998 CB ALA A 64 10.691 8.810 -0.949 1.00 0.00 C ATOM 0 H ALA A 64 8.852 9.453 0.574 1.00 0.00 H new ATOM 0 HA ALA A 64 10.282 10.900 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.471 8.768 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.145 8.973 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.141 7.869 -0.941 1.00 0.00 H new ATOM 1004 N ASP A 65 8.096 8.912 -2.715 1.00 0.00 N ATOM 1005 CA ASP A 65 7.430 8.636 -3.982 1.00 0.00 C ATOM 1006 C ASP A 65 6.668 9.867 -4.459 1.00 0.00 C ATOM 1007 O ASP A 65 6.727 10.230 -5.634 1.00 0.00 O ATOM 1008 CB ASP A 65 6.460 7.464 -3.818 1.00 0.00 C ATOM 1009 CG ASP A 65 7.235 6.155 -3.726 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.228 6.026 -4.423 1.00 0.00 O ATOM 1011 OD2 ASP A 65 6.825 5.299 -2.959 1.00 0.00 O ATOM 0 H ASP A 65 7.709 8.414 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 65 8.186 8.378 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.857 7.603 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.772 7.430 -4.662 1.00 0.00 H new ATOM 1016 N LEU A 66 5.951 10.505 -3.539 1.00 0.00 N ATOM 1017 CA LEU A 66 5.181 11.695 -3.875 1.00 0.00 C ATOM 1018 C LEU A 66 6.042 12.688 -4.651 1.00 0.00 C ATOM 1019 O LEU A 66 5.602 13.257 -5.650 1.00 0.00 O ATOM 1020 CB LEU A 66 4.656 12.360 -2.600 1.00 0.00 C ATOM 1021 CG LEU A 66 4.157 13.766 -2.933 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.845 14.033 -2.195 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.206 14.792 -2.500 1.00 0.00 C ATOM 0 H LEU A 66 5.888 10.220 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 66 4.339 11.394 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.848 11.766 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.446 12.410 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 66 3.989 13.847 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.491 15.036 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.098 13.301 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.009 13.952 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.853 15.796 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.374 14.710 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.140 14.602 -3.029 1.00 0.00 H new ATOM 1035 N VAL A 67 7.270 12.890 -4.184 1.00 0.00 N ATOM 1036 CA VAL A 67 8.184 13.817 -4.843 1.00 0.00 C ATOM 1037 C VAL A 67 8.239 13.540 -6.342 1.00 0.00 C ATOM 1038 O VAL A 67 8.258 14.464 -7.155 1.00 0.00 O ATOM 1039 CB VAL A 67 9.586 13.683 -4.246 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.601 14.364 -5.165 1.00 0.00 C ATOM 1041 CG2 VAL A 67 9.620 14.350 -2.869 1.00 0.00 C ATOM 0 H VAL A 67 7.653 12.429 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 67 7.818 14.832 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 67 9.837 12.627 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.600 14.268 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.578 13.890 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.350 15.420 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.619 14.255 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.368 15.406 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.898 13.865 -2.212 1.00 0.00 H new ATOM 1051 N ALA A 68 8.265 12.261 -6.701 1.00 0.00 N ATOM 1052 CA ALA A 68 8.317 11.872 -8.106 1.00 0.00 C ATOM 1053 C ALA A 68 7.028 12.265 -8.821 1.00 0.00 C ATOM 1054 O ALA A 68 7.015 13.189 -9.633 1.00 0.00 O ATOM 1055 CB ALA A 68 8.526 10.361 -8.221 1.00 0.00 C ATOM 0 H ALA A 68 8.251 11.481 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 68 9.152 12.392 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.564 10.078 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.463 10.085 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.700 9.841 -7.735 1.00 0.00 H new ATOM 1061 N GLY A 69 5.947 11.555 -8.514 1.00 0.00 N ATOM 1062 CA GLY A 69 4.658 11.839 -9.135 1.00 0.00 C ATOM 1063 C GLY A 69 4.639 11.368 -10.585 1.00 0.00 C ATOM 1064 O GLY A 69 3.745 10.627 -10.996 1.00 0.00 O ATOM 0 H GLY A 69 5.937 10.785 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.864 11.344 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.457 12.910 -9.093 1.00 0.00 H new ATOM 1068 N ASN A 70 5.631 11.801 -11.354 1.00 0.00 N ATOM 1069 CA ASN A 70 5.721 11.417 -12.758 1.00 0.00 C ATOM 1070 C ASN A 70 6.674 10.239 -12.931 1.00 0.00 C ATOM 1071 O ASN A 70 7.894 10.404 -12.892 1.00 0.00 O ATOM 1072 CB ASN A 70 6.215 12.601 -13.592 1.00 0.00 C ATOM 1073 CG ASN A 70 5.250 13.774 -13.456 1.00 0.00 C ATOM 1074 OD1 ASN A 70 5.523 14.864 -13.958 1.00 0.00 O ATOM 1075 ND2 ASN A 70 4.131 13.614 -12.804 1.00 0.00 N ATOM 0 H ASN A 70 6.380 12.414 -11.032 1.00 0.00 H new ATOM 0 HA ASN A 70 4.729 11.121 -13.099 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.210 12.898 -13.262 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.300 12.309 -14.639 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.480 14.393 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.907 12.709 -12.389 1.00 0.00 H new ATOM 1082 N GLY A 71 6.112 9.049 -13.122 1.00 0.00 N ATOM 1083 CA GLY A 71 6.925 7.852 -13.301 1.00 0.00 C ATOM 1084 C GLY A 71 6.364 6.681 -12.501 1.00 0.00 C ATOM 1085 O GLY A 71 6.160 5.593 -13.038 1.00 0.00 O ATOM 0 H GLY A 71 5.105 8.889 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.962 7.589 -14.358 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.949 8.054 -12.986 1.00 0.00 H new ATOM 1089 N TYR A 72 6.122 6.910 -11.214 1.00 0.00 N ATOM 1090 CA TYR A 72 5.590 5.862 -10.350 1.00 0.00 C ATOM 1091 C TYR A 72 4.163 5.500 -10.749 1.00 0.00 C ATOM 1092 O TYR A 72 3.697 4.392 -10.482 1.00 0.00 O ATOM 1093 CB TYR A 72 5.612 6.326 -8.892 1.00 0.00 C ATOM 1094 CG TYR A 72 5.623 5.120 -7.983 1.00 0.00 C ATOM 1095 CD1 TYR A 72 4.417 4.518 -7.605 1.00 0.00 C ATOM 1096 CD2 TYR A 72 6.839 4.604 -7.520 1.00 0.00 C ATOM 1097 CE1 TYR A 72 4.428 3.400 -6.763 1.00 0.00 C ATOM 1098 CE2 TYR A 72 6.849 3.486 -6.679 1.00 0.00 C ATOM 1099 CZ TYR A 72 5.644 2.884 -6.300 1.00 0.00 C ATOM 1100 OH TYR A 72 5.654 1.781 -5.470 1.00 0.00 O ATOM 0 H TYR A 72 6.284 7.804 -10.750 1.00 0.00 H new ATOM 0 HA TYR A 72 6.217 4.978 -10.462 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.492 6.942 -8.708 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.740 6.945 -8.683 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.479 4.916 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.769 5.069 -7.812 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.498 2.935 -6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.787 3.087 -6.322 1.00 0.00 H new ATOM 0 HH TYR A 72 6.579 1.552 -5.242 1.00 0.00 H new ATOM 1110 N ARG A 73 3.471 6.438 -11.389 1.00 0.00 N ATOM 1111 CA ARG A 73 2.097 6.197 -11.816 1.00 0.00 C ATOM 1112 C ARG A 73 2.037 5.031 -12.797 1.00 0.00 C ATOM 1113 O ARG A 73 1.148 4.183 -12.716 1.00 0.00 O ATOM 1114 CB ARG A 73 1.524 7.452 -12.476 1.00 0.00 C ATOM 1115 CG ARG A 73 0.001 7.453 -12.330 1.00 0.00 C ATOM 1116 CD ARG A 73 -0.599 8.549 -13.213 1.00 0.00 C ATOM 1117 NE ARG A 73 0.457 9.373 -13.787 1.00 0.00 N ATOM 1118 CZ ARG A 73 0.183 10.308 -14.690 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -1.048 10.499 -15.078 1.00 0.00 N ATOM 1120 NH2 ARG A 73 1.145 11.034 -15.190 1.00 0.00 N ATOM 0 H ARG A 73 3.834 7.362 -11.621 1.00 0.00 H new ATOM 0 HA ARG A 73 1.503 5.948 -10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.945 8.344 -12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.799 7.480 -13.530 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.402 6.481 -12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.274 7.620 -11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.192 8.099 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.274 9.170 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 73 1.422 9.229 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.800 9.930 -14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.259 11.217 -15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.107 10.884 -14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.935 11.752 -15.883 1.00 0.00 H new ATOM 1134 N LYS A 74 2.991 4.994 -13.722 1.00 0.00 N ATOM 1135 CA LYS A 74 3.041 3.927 -14.715 1.00 0.00 C ATOM 1136 C LYS A 74 2.844 2.568 -14.052 1.00 0.00 C ATOM 1137 O LYS A 74 2.074 1.737 -14.533 1.00 0.00 O ATOM 1138 CB LYS A 74 4.388 3.955 -15.439 1.00 0.00 C ATOM 1139 CG LYS A 74 4.345 3.009 -16.640 1.00 0.00 C ATOM 1140 CD LYS A 74 5.746 2.887 -17.245 1.00 0.00 C ATOM 1141 CE LYS A 74 5.642 2.829 -18.770 1.00 0.00 C ATOM 1142 NZ LYS A 74 4.917 4.034 -19.264 1.00 0.00 N ATOM 0 H LYS A 74 3.736 5.686 -13.805 1.00 0.00 H new ATOM 0 HA LYS A 74 2.238 4.085 -15.434 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.613 4.969 -15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.185 3.658 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.984 2.028 -16.331 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.646 3.385 -17.387 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.359 3.737 -16.944 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.239 1.990 -16.869 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.637 2.784 -19.212 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.116 1.924 -19.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.316 4.329 -20.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.909 3.808 -19.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.019 4.807 -18.576 1.00 0.00 H new ATOM 1156 N ARG A 75 3.548 2.349 -12.947 1.00 0.00 N ATOM 1157 CA ARG A 75 3.447 1.087 -12.223 1.00 0.00 C ATOM 1158 C ARG A 75 2.011 0.835 -11.774 1.00 0.00 C ATOM 1159 O ARG A 75 1.533 -0.299 -11.796 1.00 0.00 O ATOM 1160 CB ARG A 75 4.365 1.115 -11.001 1.00 0.00 C ATOM 1161 CG ARG A 75 4.970 -0.273 -10.784 1.00 0.00 C ATOM 1162 CD ARG A 75 6.223 -0.424 -11.647 1.00 0.00 C ATOM 1163 NE ARG A 75 7.405 -0.015 -10.897 1.00 0.00 N ATOM 1164 CZ ARG A 75 8.461 0.511 -11.510 1.00 0.00 C ATOM 1165 NH1 ARG A 75 8.449 0.677 -12.804 1.00 0.00 N ATOM 1166 NH2 ARG A 75 9.509 0.864 -10.817 1.00 0.00 N ATOM 0 H ARG A 75 4.191 3.025 -12.535 1.00 0.00 H new ATOM 0 HA ARG A 75 3.751 0.282 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.157 1.850 -11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.803 1.420 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.221 -0.412 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.243 -1.043 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.329 -1.460 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.128 0.182 -12.548 1.00 0.00 H new ATOM 0 HE ARG A 75 7.422 -0.135 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.629 0.403 -13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.259 1.081 -13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.518 0.736 -9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.319 1.268 -11.287 1.00 0.00 H new ATOM 1180 N LEU A 76 1.329 1.899 -11.364 1.00 0.00 N ATOM 1181 CA LEU A 76 -0.051 1.781 -10.907 1.00 0.00 C ATOM 1182 C LEU A 76 -0.982 1.472 -12.076 1.00 0.00 C ATOM 1183 O LEU A 76 -1.966 0.747 -11.922 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.490 3.082 -10.233 1.00 0.00 C ATOM 1185 CG LEU A 76 0.366 3.327 -8.990 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -0.008 4.674 -8.368 1.00 0.00 C ATOM 1187 CD2 LEU A 76 0.117 2.211 -7.973 1.00 0.00 C ATOM 0 H LEU A 76 1.706 2.847 -11.339 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.106 0.962 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.389 3.916 -10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.543 3.024 -9.957 1.00 0.00 H new ATOM 0 HG LEU A 76 1.419 3.337 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.603 4.848 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.167 5.470 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.061 4.665 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.727 2.384 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.936 2.202 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.383 1.251 -8.414 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.669 2.028 -13.241 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.489 1.807 -14.427 1.00 0.00 C ATOM 1201 C VAL A 77 -1.521 0.328 -14.797 1.00 0.00 C ATOM 1202 O VAL A 77 -2.563 -0.201 -15.186 1.00 0.00 O ATOM 1203 CB VAL A 77 -0.935 2.614 -15.602 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -1.801 2.372 -16.839 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -0.954 4.103 -15.250 1.00 0.00 C ATOM 0 H VAL A 77 0.140 2.631 -13.390 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.505 2.134 -14.204 1.00 0.00 H new ATOM 0 HB VAL A 77 0.089 2.302 -15.808 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.407 2.947 -17.677 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.790 1.311 -17.089 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.825 2.685 -16.634 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.559 4.680 -16.087 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.978 4.415 -15.045 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.338 4.276 -14.367 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.375 -0.334 -14.680 1.00 0.00 N ATOM 1216 CA ARG A 78 -0.286 -1.751 -15.013 1.00 0.00 C ATOM 1217 C ARG A 78 -1.288 -2.563 -14.198 1.00 0.00 C ATOM 1218 O ARG A 78 -1.684 -3.658 -14.597 1.00 0.00 O ATOM 1219 CB ARG A 78 1.129 -2.264 -14.741 1.00 0.00 C ATOM 1220 CG ARG A 78 1.169 -3.781 -14.938 1.00 0.00 C ATOM 1221 CD ARG A 78 0.704 -4.123 -16.355 1.00 0.00 C ATOM 1222 NE ARG A 78 1.171 -3.112 -17.296 1.00 0.00 N ATOM 1223 CZ ARG A 78 2.466 -2.954 -17.550 1.00 0.00 C ATOM 1224 NH1 ARG A 78 3.343 -3.718 -16.959 1.00 0.00 N ATOM 1225 NH2 ARG A 78 2.861 -2.037 -18.390 1.00 0.00 N ATOM 0 H ARG A 78 0.499 0.084 -14.360 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.519 -1.868 -16.071 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.838 -1.781 -15.413 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.430 -2.011 -13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.181 -4.153 -14.776 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.528 -4.271 -14.205 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.085 -5.103 -16.644 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.384 -4.182 -16.384 1.00 0.00 H new ATOM 0 HE ARG A 78 0.492 -2.515 -17.768 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.035 -4.436 -16.303 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.337 -3.598 -17.153 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.176 -1.440 -18.853 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.855 -1.917 -18.584 1.00 0.00 H new ATOM 1239 N VAL A 79 -1.694 -2.020 -13.055 1.00 0.00 N ATOM 1240 CA VAL A 79 -2.651 -2.706 -12.194 1.00 0.00 C ATOM 1241 C VAL A 79 -4.072 -2.518 -12.716 1.00 0.00 C ATOM 1242 O VAL A 79 -4.825 -3.482 -12.858 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.551 -2.165 -10.767 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -3.387 -3.037 -9.829 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -1.089 -2.191 -10.316 1.00 0.00 C ATOM 0 H VAL A 79 -1.379 -1.115 -12.705 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.415 -3.770 -12.195 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.925 -1.141 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.315 -2.651 -8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.429 -3.022 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.014 -4.061 -9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.015 -1.806 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.718 -3.215 -10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.491 -1.570 -10.983 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.433 -1.271 -13.002 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.767 -0.969 -13.509 1.00 0.00 C ATOM 1257 C ARG A 80 -5.959 -1.559 -14.904 1.00 0.00 C ATOM 1258 O ARG A 80 -7.084 -1.837 -15.320 1.00 0.00 O ATOM 1259 CB ARG A 80 -5.976 0.546 -13.560 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.444 0.853 -13.872 1.00 0.00 C ATOM 1261 CD ARG A 80 -8.015 1.778 -12.795 1.00 0.00 C ATOM 1262 NE ARG A 80 -9.470 1.823 -12.887 1.00 0.00 N ATOM 1263 CZ ARG A 80 -10.090 2.799 -13.545 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -9.397 3.739 -14.128 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -11.393 2.815 -13.609 1.00 0.00 N ATOM 0 H ARG A 80 -3.826 -0.459 -12.892 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.499 -1.414 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.695 0.994 -12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.332 0.986 -14.321 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.527 1.324 -14.852 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.019 -0.072 -13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.717 1.425 -11.808 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.605 2.781 -12.913 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.023 1.092 -12.438 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.378 3.726 -14.080 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.874 4.486 -14.632 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.935 2.080 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.870 3.563 -14.113 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.855 -1.746 -15.621 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.916 -2.303 -16.968 1.00 0.00 C ATOM 1281 C ASN A 81 -5.280 -3.784 -16.922 1.00 0.00 C ATOM 1282 O ASN A 81 -5.591 -4.389 -17.948 1.00 0.00 O ATOM 1283 CB ASN A 81 -3.566 -2.131 -17.667 1.00 0.00 C ATOM 1284 CG ASN A 81 -3.705 -2.442 -19.153 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -3.328 -3.526 -19.600 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -4.226 -1.550 -19.951 1.00 0.00 N ATOM 0 H ASN A 81 -3.915 -1.522 -15.295 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.685 -1.768 -17.525 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.205 -1.111 -17.533 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.827 -2.793 -17.216 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.321 -1.750 -20.947 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.538 -0.653 -19.579 1.00 0.00 H new ATOM 1293 N SER A 82 -5.240 -4.361 -15.726 1.00 0.00 N ATOM 1294 CA SER A 82 -5.567 -5.772 -15.558 1.00 0.00 C ATOM 1295 C SER A 82 -7.049 -6.015 -15.828 1.00 0.00 C ATOM 1296 O SER A 82 -7.531 -5.796 -16.940 1.00 0.00 O ATOM 1297 CB SER A 82 -5.227 -6.220 -14.137 1.00 0.00 C ATOM 1298 OG SER A 82 -6.169 -5.660 -13.231 1.00 0.00 O ATOM 0 H SER A 82 -4.986 -3.878 -14.864 1.00 0.00 H new ATOM 0 HA SER A 82 -4.980 -6.349 -16.272 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.245 -7.308 -14.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.218 -5.901 -13.874 1.00 0.00 H new ATOM 0 HG SER A 82 -5.744 -4.940 -12.721 1.00 0.00 H new ATOM 1304 N ASN A 83 -7.765 -6.469 -14.805 1.00 0.00 N ATOM 1305 CA ASN A 83 -9.192 -6.740 -14.944 1.00 0.00 C ATOM 1306 C ASN A 83 -9.998 -5.902 -13.957 1.00 0.00 C ATOM 1307 O ASN A 83 -10.350 -4.758 -14.242 1.00 0.00 O ATOM 1308 CB ASN A 83 -9.467 -8.225 -14.700 1.00 0.00 C ATOM 1309 CG ASN A 83 -10.951 -8.440 -14.423 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -11.758 -7.531 -14.617 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -11.361 -9.596 -13.977 1.00 0.00 N ATOM 0 H ASN A 83 -7.385 -6.656 -13.877 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.495 -6.475 -15.957 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.162 -8.808 -15.569 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.876 -8.579 -13.856 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.352 -9.748 -13.789 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.691 -10.348 -13.817 1.00 0.00 H new ATOM 1318 N ASN A 84 -10.288 -6.480 -12.795 1.00 0.00 N ATOM 1319 CA ASN A 84 -11.054 -5.775 -11.773 1.00 0.00 C ATOM 1320 C ASN A 84 -10.458 -6.024 -10.393 1.00 0.00 C ATOM 1321 O ASN A 84 -11.121 -6.561 -9.506 1.00 0.00 O ATOM 1322 CB ASN A 84 -12.511 -6.243 -11.791 1.00 0.00 C ATOM 1323 CG ASN A 84 -13.314 -5.409 -12.783 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -14.413 -4.953 -12.465 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -12.830 -5.180 -13.972 1.00 0.00 N ATOM 0 H ASN A 84 -10.007 -7.427 -12.539 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.014 -4.708 -11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.560 -7.297 -12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.943 -6.153 -10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.362 -4.622 -14.640 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.920 -5.558 -14.234 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.201 -5.632 -10.220 1.00 0.00 N ATOM 1333 CA LEU A 85 -8.522 -5.819 -8.944 1.00 0.00 C ATOM 1334 C LEU A 85 -8.659 -4.572 -8.076 1.00 0.00 C ATOM 1335 O LEU A 85 -8.276 -3.475 -8.483 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.039 -6.114 -9.180 1.00 0.00 C ATOM 1337 CG LEU A 85 -6.876 -7.527 -9.745 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.489 -7.446 -11.222 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -5.777 -8.259 -8.972 1.00 0.00 C ATOM 0 H LEU A 85 -8.635 -5.186 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.984 -6.661 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.619 -5.385 -9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.487 -6.020 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.817 -8.068 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.373 -8.453 -11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.269 -6.923 -11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.548 -6.905 -11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.659 -9.266 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.837 -7.716 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.050 -8.318 -7.918 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.201 -4.751 -6.876 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.377 -3.635 -5.954 1.00 0.00 C ATOM 1353 C LYS A 86 -8.464 -3.803 -4.745 1.00 0.00 C ATOM 1354 O LYS A 86 -8.871 -4.345 -3.718 1.00 0.00 O ATOM 1355 CB LYS A 86 -10.834 -3.559 -5.493 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.419 -4.970 -5.410 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.689 -4.946 -4.557 1.00 0.00 C ATOM 1358 CE LYS A 86 -13.587 -6.123 -4.944 1.00 0.00 C ATOM 1359 NZ LYS A 86 -12.740 -7.279 -5.355 1.00 0.00 N ATOM 0 H LYS A 86 -9.524 -5.651 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.117 -2.711 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.893 -3.072 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.415 -2.954 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.646 -5.340 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.689 -5.653 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.431 -5.004 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.221 -4.006 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.220 -6.403 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.250 -5.836 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.226 -8.167 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.573 -7.240 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.829 -7.237 -4.855 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.225 -3.340 -4.878 1.00 0.00 N ATOM 1374 CA GLY A 87 -6.259 -3.451 -3.793 1.00 0.00 C ATOM 1375 C GLY A 87 -6.249 -2.192 -2.935 1.00 0.00 C ATOM 1376 O GLY A 87 -7.159 -1.366 -3.014 1.00 0.00 O ATOM 0 H GLY A 87 -6.869 -2.888 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.501 -4.315 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.264 -3.622 -4.204 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.214 -2.054 -2.114 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.092 -0.894 -1.240 1.00 0.00 C ATOM 1382 C ILE A 88 -3.697 -0.288 -1.349 1.00 0.00 C ATOM 1383 O ILE A 88 -2.697 -1.006 -1.354 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.362 -1.304 0.209 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -6.668 -2.101 0.279 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.482 -0.053 1.081 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -6.654 -2.999 1.518 1.00 0.00 C ATOM 0 H ILE A 88 -4.451 -2.727 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.825 -0.148 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.539 -1.921 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.519 -1.421 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.786 -2.706 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.674 -0.346 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.553 0.515 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.304 0.565 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.584 -3.566 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.812 -3.688 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.557 -2.384 2.412 1.00 0.00 H new ATOM 1399 N VAL A 89 -3.636 1.036 -1.437 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.355 1.724 -1.547 1.00 0.00 C ATOM 1401 C VAL A 89 -2.023 2.452 -0.248 1.00 0.00 C ATOM 1402 O VAL A 89 -2.754 3.344 0.181 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.398 2.729 -2.700 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -0.989 3.261 -2.970 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -2.932 2.037 -3.958 1.00 0.00 C ATOM 0 H VAL A 89 -4.451 1.650 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.582 0.981 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.053 3.559 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.022 3.977 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.608 3.753 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.332 2.433 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.963 2.751 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.277 1.207 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.936 1.659 -3.767 1.00 0.00 H new ATOM 1415 N VAL A 90 -0.914 2.064 0.373 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.490 2.686 1.621 1.00 0.00 C ATOM 1417 C VAL A 90 0.488 3.823 1.343 1.00 0.00 C ATOM 1418 O VAL A 90 1.343 3.715 0.464 1.00 0.00 O ATOM 1419 CB VAL A 90 0.176 1.644 2.521 1.00 0.00 C ATOM 1420 CG1 VAL A 90 0.417 2.244 3.908 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -0.737 0.423 2.647 1.00 0.00 C ATOM 0 H VAL A 90 -0.296 1.326 0.035 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.368 3.091 2.124 1.00 0.00 H new ATOM 0 HB VAL A 90 1.129 1.344 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.892 1.501 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.067 3.115 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.535 2.544 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.264 -0.321 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.690 0.724 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.909 -0.006 1.660 1.00 0.00 H new ATOM 1431 N VAL A 91 0.357 4.911 2.094 1.00 0.00 N ATOM 1432 CA VAL A 91 1.236 6.061 1.913 1.00 0.00 C ATOM 1433 C VAL A 91 1.904 6.442 3.230 1.00 0.00 C ATOM 1434 O VAL A 91 1.245 6.544 4.265 1.00 0.00 O ATOM 1435 CB VAL A 91 0.436 7.252 1.382 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.371 8.446 1.179 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.213 6.878 0.046 1.00 0.00 C ATOM 0 H VAL A 91 -0.343 5.021 2.828 1.00 0.00 H new ATOM 0 HA VAL A 91 2.009 5.791 1.193 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.340 7.517 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.801 9.294 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.831 8.713 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.148 8.182 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.783 7.727 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.562 6.612 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.880 6.029 0.191 1.00 0.00 H new ATOM 1447 N GLU A 92 3.215 6.653 3.183 1.00 0.00 N ATOM 1448 CA GLU A 92 3.962 7.026 4.378 1.00 0.00 C ATOM 1449 C GLU A 92 4.251 8.523 4.378 1.00 0.00 C ATOM 1450 O GLU A 92 5.122 8.998 3.650 1.00 0.00 O ATOM 1451 CB GLU A 92 5.279 6.250 4.436 1.00 0.00 C ATOM 1452 CG GLU A 92 5.539 5.793 5.872 1.00 0.00 C ATOM 1453 CD GLU A 92 6.911 5.136 5.971 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.866 5.731 5.499 1.00 0.00 O ATOM 1455 OE2 GLU A 92 6.987 4.048 6.517 1.00 0.00 O ATOM 0 H GLU A 92 3.779 6.573 2.337 1.00 0.00 H new ATOM 0 HA GLU A 92 3.360 6.781 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.235 5.387 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.099 6.878 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.486 6.646 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.767 5.090 6.184 1.00 0.00 H new ATOM 1462 N LYS A 93 3.512 9.262 5.198 1.00 0.00 N ATOM 1463 CA LYS A 93 3.696 10.705 5.283 1.00 0.00 C ATOM 1464 C LYS A 93 5.039 11.037 5.922 1.00 0.00 C ATOM 1465 O LYS A 93 5.395 10.486 6.964 1.00 0.00 O ATOM 1466 CB LYS A 93 2.568 11.326 6.108 1.00 0.00 C ATOM 1467 CG LYS A 93 2.272 10.435 7.316 1.00 0.00 C ATOM 1468 CD LYS A 93 1.556 11.254 8.391 1.00 0.00 C ATOM 1469 CE LYS A 93 2.583 11.804 9.382 1.00 0.00 C ATOM 1470 NZ LYS A 93 1.995 12.961 10.114 1.00 0.00 N ATOM 0 H LYS A 93 2.785 8.889 5.809 1.00 0.00 H new ATOM 0 HA LYS A 93 3.676 11.116 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.852 12.325 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.673 11.436 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.653 9.590 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.200 10.024 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.004 12.073 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.828 10.632 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.878 11.026 10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.485 12.114 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.435 13.038 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.168 13.835 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.971 12.819 10.223 1.00 0.00 H new ATOM 1484 N THR A 94 5.780 11.941 5.291 1.00 0.00 N ATOM 1485 CA THR A 94 7.084 12.340 5.808 1.00 0.00 C ATOM 1486 C THR A 94 7.159 13.853 5.965 1.00 0.00 C ATOM 1487 O THR A 94 7.106 14.377 7.077 1.00 0.00 O ATOM 1488 CB THR A 94 8.189 11.870 4.859 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.865 10.581 4.359 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.518 11.810 5.612 1.00 0.00 C ATOM 0 H THR A 94 5.503 12.408 4.428 1.00 0.00 H new ATOM 0 HA THR A 94 7.222 11.877 6.785 1.00 0.00 H new ATOM 0 HB THR A 94 8.277 12.569 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.677 10.147 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.305 11.475 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.765 12.801 5.994 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.433 11.111 6.444 1.00 0.00 H new ATOM 1498 N ARG A 95 7.282 14.548 4.841 1.00 0.00 N ATOM 1499 CA ARG A 95 7.365 16.003 4.859 1.00 0.00 C ATOM 1500 C ARG A 95 6.579 16.596 3.695 1.00 0.00 C ATOM 1501 O ARG A 95 5.528 17.207 3.889 1.00 0.00 O ATOM 1502 CB ARG A 95 8.826 16.446 4.769 1.00 0.00 C ATOM 1503 CG ARG A 95 9.562 16.045 6.049 1.00 0.00 C ATOM 1504 CD ARG A 95 11.063 16.280 5.870 1.00 0.00 C ATOM 1505 NE ARG A 95 11.361 17.706 5.928 1.00 0.00 N ATOM 1506 CZ ARG A 95 11.517 18.326 7.092 1.00 0.00 C ATOM 1507 NH1 ARG A 95 11.413 17.657 8.208 1.00 0.00 N ATOM 1508 NH2 ARG A 95 11.775 19.605 7.121 1.00 0.00 N ATOM 0 H ARG A 95 7.326 14.131 3.911 1.00 0.00 H new ATOM 0 HA ARG A 95 6.936 16.361 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.303 15.987 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.882 17.525 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.190 16.627 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.372 14.996 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.616 15.754 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.391 15.871 4.914 1.00 0.00 H new ATOM 0 HE ARG A 95 11.451 18.236 5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.212 16.657 8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.533 18.134 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.857 20.129 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.895 20.081 8.015 1.00 0.00 H new ATOM 1522 N MET A 96 7.095 16.409 2.485 1.00 0.00 N ATOM 1523 CA MET A 96 6.432 16.928 1.294 1.00 0.00 C ATOM 1524 C MET A 96 5.124 16.184 1.044 1.00 0.00 C ATOM 1525 O MET A 96 4.392 16.492 0.103 1.00 0.00 O ATOM 1526 CB MET A 96 7.349 16.778 0.079 1.00 0.00 C ATOM 1527 CG MET A 96 7.002 17.847 -0.959 1.00 0.00 C ATOM 1528 SD MET A 96 8.039 19.306 -0.692 1.00 0.00 S ATOM 1529 CE MET A 96 8.461 19.603 -2.426 1.00 0.00 C ATOM 0 H MET A 96 7.964 15.906 2.303 1.00 0.00 H new ATOM 0 HA MET A 96 6.212 17.984 1.453 1.00 0.00 H new ATOM 0 HB2 MET A 96 8.391 16.876 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 96 7.235 15.785 -0.355 1.00 0.00 H new ATOM 0 HG2 MET A 96 7.157 17.456 -1.965 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.949 18.117 -0.881 1.00 0.00 H new ATOM 0 HE1 MET A 96 9.109 20.476 -2.498 1.00 0.00 H new ATOM 0 HE2 MET A 96 8.979 18.732 -2.829 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.550 19.779 -2.997 1.00 0.00 H new ATOM 1539 N SER A 97 4.838 15.201 1.892 1.00 0.00 N ATOM 1540 CA SER A 97 3.617 14.415 1.756 1.00 0.00 C ATOM 1541 C SER A 97 2.388 15.264 2.072 1.00 0.00 C ATOM 1542 O SER A 97 1.827 15.912 1.190 1.00 0.00 O ATOM 1543 CB SER A 97 3.663 13.214 2.702 1.00 0.00 C ATOM 1544 OG SER A 97 2.341 12.740 2.924 1.00 0.00 O ATOM 0 H SER A 97 5.431 14.931 2.676 1.00 0.00 H new ATOM 0 HA SER A 97 3.547 14.067 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 97 4.278 12.423 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.123 13.499 3.648 1.00 0.00 H new ATOM 0 HG SER A 97 2.272 11.810 2.624 1.00 0.00 H new ATOM 1550 N GLU A 98 1.976 15.250 3.335 1.00 0.00 N ATOM 1551 CA GLU A 98 0.808 16.016 3.762 1.00 0.00 C ATOM 1552 C GLU A 98 0.726 17.347 3.018 1.00 0.00 C ATOM 1553 O GLU A 98 -0.358 17.901 2.839 1.00 0.00 O ATOM 1554 CB GLU A 98 0.881 16.282 5.267 1.00 0.00 C ATOM 1555 CG GLU A 98 1.241 14.990 6.002 1.00 0.00 C ATOM 1556 CD GLU A 98 1.093 15.188 7.506 1.00 0.00 C ATOM 1557 OE1 GLU A 98 2.003 15.738 8.104 1.00 0.00 O ATOM 1558 OE2 GLU A 98 0.071 14.786 8.039 1.00 0.00 O ATOM 0 H GLU A 98 2.430 14.720 4.079 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.083 15.431 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.626 17.050 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.076 16.661 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.593 14.179 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.264 14.699 5.764 1.00 0.00 H new ATOM 1565 N GLN A 99 1.877 17.860 2.598 1.00 0.00 N ATOM 1566 CA GLN A 99 1.919 19.133 1.888 1.00 0.00 C ATOM 1567 C GLN A 99 1.350 18.997 0.477 1.00 0.00 C ATOM 1568 O GLN A 99 0.481 19.771 0.075 1.00 0.00 O ATOM 1569 CB GLN A 99 3.360 19.641 1.816 1.00 0.00 C ATOM 1570 CG GLN A 99 3.867 19.928 3.231 1.00 0.00 C ATOM 1571 CD GLN A 99 4.556 21.287 3.273 1.00 0.00 C ATOM 1572 OE1 GLN A 99 4.174 22.154 4.059 1.00 0.00 O ATOM 1573 NE2 GLN A 99 5.556 21.526 2.469 1.00 0.00 N ATOM 0 H GLN A 99 2.786 17.419 2.735 1.00 0.00 H new ATOM 0 HA GLN A 99 1.306 19.848 2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.996 18.899 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.409 20.545 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.035 19.911 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.563 19.149 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.871 20.806 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.023 22.433 2.491 1.00 0.00 H new ATOM 1582 N TYR A 100 1.846 18.018 -0.275 1.00 0.00 N ATOM 1583 CA TYR A 100 1.374 17.811 -1.641 1.00 0.00 C ATOM 1584 C TYR A 100 0.705 16.447 -1.793 1.00 0.00 C ATOM 1585 O TYR A 100 0.434 16.004 -2.909 1.00 0.00 O ATOM 1586 CB TYR A 100 2.547 17.913 -2.619 1.00 0.00 C ATOM 1587 CG TYR A 100 2.654 19.328 -3.134 1.00 0.00 C ATOM 1588 CD1 TYR A 100 1.764 19.786 -4.113 1.00 0.00 C ATOM 1589 CD2 TYR A 100 3.644 20.181 -2.633 1.00 0.00 C ATOM 1590 CE1 TYR A 100 1.866 21.098 -4.591 1.00 0.00 C ATOM 1591 CE2 TYR A 100 3.745 21.493 -3.111 1.00 0.00 C ATOM 1592 CZ TYR A 100 2.856 21.951 -4.090 1.00 0.00 C ATOM 1593 OH TYR A 100 2.957 23.244 -4.561 1.00 0.00 O ATOM 0 H TYR A 100 2.565 17.363 0.033 1.00 0.00 H new ATOM 0 HA TYR A 100 0.639 18.584 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.474 17.625 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.402 17.223 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.000 19.128 -4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.330 19.827 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.180 21.452 -5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.509 22.151 -2.724 1.00 0.00 H new ATOM 0 HH TYR A 100 3.696 23.701 -4.107 1.00 0.00 H new ATOM 1603 N PHE A 101 0.439 15.786 -0.672 1.00 0.00 N ATOM 1604 CA PHE A 101 -0.200 14.474 -0.710 1.00 0.00 C ATOM 1605 C PHE A 101 -1.656 14.593 -1.157 1.00 0.00 C ATOM 1606 O PHE A 101 -2.184 13.696 -1.815 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.136 13.805 0.667 1.00 0.00 C ATOM 1608 CG PHE A 101 -0.903 12.505 0.625 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -0.564 11.522 -0.312 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -1.954 12.283 1.523 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -1.276 10.317 -0.352 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -2.666 11.078 1.483 1.00 0.00 C ATOM 1613 CZ PHE A 101 -2.327 10.095 0.546 1.00 0.00 C ATOM 0 H PHE A 101 0.652 16.131 0.264 1.00 0.00 H new ATOM 0 HA PHE A 101 0.339 13.859 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.901 13.620 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.558 14.465 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.247 11.693 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.215 13.041 2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.015 9.559 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.477 10.907 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 101 -2.876 9.165 0.516 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.310 15.674 -0.816 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.734 15.904 -1.194 1.00 0.00 C ATOM 1625 C PRO A 102 -3.901 16.093 -2.699 1.00 0.00 C ATOM 1626 O PRO A 102 -4.834 15.563 -3.302 1.00 0.00 O ATOM 1627 CB PRO A 102 -4.132 17.183 -0.442 1.00 0.00 C ATOM 1628 CG PRO A 102 -3.020 17.473 0.516 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.771 16.794 -0.037 1.00 0.00 C ATOM 0 HA PRO A 102 -4.359 15.049 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.274 18.013 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.075 17.045 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.864 18.547 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.258 17.094 1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.187 17.472 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.114 16.449 0.762 1.00 0.00 H new ATOM 1637 N ALA A 103 -2.991 16.855 -3.297 1.00 0.00 N ATOM 1638 CA ALA A 103 -3.045 17.112 -4.732 1.00 0.00 C ATOM 1639 C ALA A 103 -3.025 15.802 -5.514 1.00 0.00 C ATOM 1640 O ALA A 103 -3.837 15.595 -6.416 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.855 17.976 -5.151 1.00 0.00 C ATOM 0 H ALA A 103 -2.212 17.303 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.973 17.638 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.902 18.164 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.887 18.924 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.927 17.456 -4.914 1.00 0.00 H new ATOM 1647 N LEU A 104 -2.093 14.923 -5.163 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.976 13.637 -5.841 1.00 0.00 C ATOM 1649 C LEU A 104 -3.143 12.726 -5.469 1.00 0.00 C ATOM 1650 O LEU A 104 -3.773 12.122 -6.337 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.657 12.963 -5.458 1.00 0.00 C ATOM 1652 CG LEU A 104 0.041 12.449 -6.718 1.00 0.00 C ATOM 1653 CD1 LEU A 104 0.507 13.636 -7.562 1.00 0.00 C ATOM 1654 CD2 LEU A 104 1.251 11.601 -6.321 1.00 0.00 C ATOM 0 H LEU A 104 -1.412 15.075 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.996 13.812 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.013 13.671 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.845 12.137 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.655 11.841 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.005 13.271 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.354 14.242 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.203 14.243 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.749 11.234 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.947 12.209 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.920 10.755 -5.718 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.423 12.631 -4.173 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.515 11.789 -3.695 1.00 0.00 C ATOM 1668 C GLN A 105 -5.802 12.088 -4.459 1.00 0.00 C ATOM 1669 O GLN A 105 -6.618 11.196 -4.690 1.00 0.00 O ATOM 1670 CB GLN A 105 -4.744 12.030 -2.202 1.00 0.00 C ATOM 1671 CG GLN A 105 -5.987 11.262 -1.748 1.00 0.00 C ATOM 1672 CD GLN A 105 -5.810 10.784 -0.311 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -5.899 11.579 0.625 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -5.563 9.523 -0.078 1.00 0.00 N ATOM 0 H GLN A 105 -2.913 13.123 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.241 10.747 -3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.874 11.705 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.871 13.095 -2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.866 11.902 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.158 10.409 -2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.490 8.866 -0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.444 9.195 0.881 1.00 0.00 H new ATOM 1683 N LYS A 106 -5.979 13.348 -4.842 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.174 13.754 -5.573 1.00 0.00 C ATOM 1685 C LYS A 106 -7.241 13.063 -6.932 1.00 0.00 C ATOM 1686 O LYS A 106 -8.222 12.390 -7.249 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.174 15.272 -5.770 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.524 15.712 -6.340 1.00 0.00 C ATOM 1689 CD LYS A 106 -9.447 16.141 -5.198 1.00 0.00 C ATOM 1690 CE LYS A 106 -9.053 17.541 -4.721 1.00 0.00 C ATOM 1691 NZ LYS A 106 -9.202 17.622 -3.240 1.00 0.00 N ATOM 0 H LYS A 106 -5.315 14.101 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.047 13.461 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.988 15.773 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.370 15.562 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.384 16.538 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.978 14.894 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.484 16.138 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.377 15.431 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.023 17.757 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.681 18.291 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.934 18.573 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.191 17.433 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.585 16.916 -2.790 1.00 0.00 H new ATOM 1705 N PHE A 107 -6.195 13.238 -7.733 1.00 0.00 N ATOM 1706 CA PHE A 107 -6.148 12.630 -9.059 1.00 0.00 C ATOM 1707 C PHE A 107 -6.148 11.108 -8.957 1.00 0.00 C ATOM 1708 O PHE A 107 -6.958 10.434 -9.594 1.00 0.00 O ATOM 1709 CB PHE A 107 -4.893 13.093 -9.801 1.00 0.00 C ATOM 1710 CG PHE A 107 -5.248 13.442 -11.227 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -6.111 14.512 -11.493 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -4.714 12.695 -12.284 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -6.439 14.835 -12.815 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -5.042 13.018 -13.606 1.00 0.00 C ATOM 1715 CZ PHE A 107 -5.905 14.088 -13.871 1.00 0.00 C ATOM 0 H PHE A 107 -5.374 13.792 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.034 12.943 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.461 13.960 -9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.138 12.307 -9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.524 15.088 -10.678 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.049 11.869 -12.079 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.104 15.661 -13.020 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -4.629 12.442 -14.421 1.00 0.00 H new ATOM 0 HZ PHE A 107 -6.159 14.337 -14.891 1.00 0.00 H new ATOM 1725 N THR A 108 -5.233 10.572 -8.156 1.00 0.00 N ATOM 1726 CA THR A 108 -5.137 9.127 -7.983 1.00 0.00 C ATOM 1727 C THR A 108 -6.523 8.504 -7.854 1.00 0.00 C ATOM 1728 O THR A 108 -6.785 7.435 -8.405 1.00 0.00 O ATOM 1729 CB THR A 108 -4.312 8.802 -6.736 1.00 0.00 C ATOM 1730 OG1 THR A 108 -3.241 9.728 -6.623 1.00 0.00 O ATOM 1731 CG2 THR A 108 -3.752 7.382 -6.849 1.00 0.00 C ATOM 0 H THR A 108 -4.553 11.111 -7.620 1.00 0.00 H new ATOM 0 HA THR A 108 -4.646 8.710 -8.863 1.00 0.00 H new ATOM 0 HB THR A 108 -4.946 8.871 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.516 10.478 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.164 7.151 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.575 6.672 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.118 7.310 -7.732 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.406 9.177 -7.124 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.761 8.673 -6.933 1.00 0.00 C ATOM 1741 C VAL A 109 -9.522 8.674 -8.255 1.00 0.00 C ATOM 1742 O VAL A 109 -9.992 7.633 -8.713 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.505 9.538 -5.914 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.960 9.075 -5.817 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.835 9.402 -4.545 1.00 0.00 C ATOM 0 H VAL A 109 -7.211 10.064 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.698 7.650 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.476 10.580 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.490 9.691 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.438 9.171 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.990 8.033 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.364 10.018 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.865 8.360 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.798 9.731 -4.613 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.642 9.847 -8.864 1.00 0.00 N ATOM 1756 CA LEU A 110 -10.350 9.964 -10.132 1.00 0.00 C ATOM 1757 C LEU A 110 -9.649 9.147 -11.211 1.00 0.00 C ATOM 1758 O LEU A 110 -10.261 8.759 -12.207 1.00 0.00 O ATOM 1759 CB LEU A 110 -10.420 11.433 -10.561 1.00 0.00 C ATOM 1760 CG LEU A 110 -11.859 11.937 -10.435 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -12.767 11.122 -11.359 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -12.329 11.778 -8.987 1.00 0.00 C ATOM 0 H LEU A 110 -9.262 10.723 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.361 9.579 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.757 12.036 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.076 11.539 -11.590 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.903 12.989 -10.718 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -13.793 11.480 -11.270 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.432 11.234 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -12.724 10.070 -11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -13.354 12.137 -8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.286 10.726 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.682 12.358 -8.329 1.00 0.00 H new ATOM 1774 N ASP A 111 -8.363 8.892 -11.007 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.585 8.120 -11.967 1.00 0.00 C ATOM 1776 C ASP A 111 -7.751 6.623 -11.723 1.00 0.00 C ATOM 1777 O ASP A 111 -8.128 5.877 -12.626 1.00 0.00 O ATOM 1778 CB ASP A 111 -6.105 8.495 -11.860 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.401 8.224 -13.185 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -5.763 7.260 -13.840 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.510 8.984 -13.525 1.00 0.00 O ATOM 0 H ASP A 111 -7.839 9.206 -10.190 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.950 8.352 -12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.006 9.548 -11.595 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.632 7.920 -11.063 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.460 6.190 -10.500 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.574 4.776 -10.155 1.00 0.00 C ATOM 1788 C LEU A 112 -8.793 4.520 -9.274 1.00 0.00 C ATOM 1789 O LEU A 112 -9.364 3.429 -9.292 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.311 4.317 -9.424 1.00 0.00 C ATOM 1791 CG LEU A 112 -5.177 4.126 -10.433 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -3.923 4.845 -9.934 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.880 2.632 -10.588 1.00 0.00 C ATOM 0 H LEU A 112 -7.146 6.791 -9.738 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.692 4.211 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.024 5.054 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.503 3.383 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.474 4.541 -11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.115 4.709 -10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.134 5.909 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.625 4.431 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.072 2.494 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.583 2.218 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.773 2.118 -10.943 1.00 0.00 H new ATOM 1805 N GLY A 113 -9.185 5.525 -8.499 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.335 5.385 -7.612 1.00 0.00 C ATOM 1807 C GLY A 113 -10.144 4.209 -6.662 1.00 0.00 C ATOM 1808 O GLY A 113 -11.106 3.691 -6.096 1.00 0.00 O ATOM 0 H GLY A 113 -8.729 6.437 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.473 6.302 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.240 5.239 -8.202 1.00 0.00 H new ATOM 1812 N MET A 114 -8.892 3.794 -6.491 1.00 0.00 N ATOM 1813 CA MET A 114 -8.579 2.679 -5.606 1.00 0.00 C ATOM 1814 C MET A 114 -8.724 3.101 -4.147 1.00 0.00 C ATOM 1815 O MET A 114 -9.377 4.099 -3.843 1.00 0.00 O ATOM 1816 CB MET A 114 -7.150 2.197 -5.863 1.00 0.00 C ATOM 1817 CG MET A 114 -7.095 0.672 -5.754 1.00 0.00 C ATOM 1818 SD MET A 114 -7.686 -0.065 -7.298 1.00 0.00 S ATOM 1819 CE MET A 114 -6.143 0.093 -8.230 1.00 0.00 C ATOM 0 H MET A 114 -8.083 4.211 -6.951 1.00 0.00 H new ATOM 0 HA MET A 114 -9.277 1.867 -5.808 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.822 2.513 -6.853 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.468 2.648 -5.142 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.074 0.348 -5.551 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.709 0.334 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.363 0.424 -9.245 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.497 0.823 -7.743 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.638 -0.872 -8.264 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.111 2.336 -3.248 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.182 2.647 -1.824 1.00 0.00 C ATOM 1831 C VAL A 115 -6.834 3.147 -1.316 1.00 0.00 C ATOM 1832 O VAL A 115 -5.805 2.500 -1.514 1.00 0.00 O ATOM 1833 CB VAL A 115 -8.598 1.403 -1.037 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -8.904 1.792 0.411 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -9.848 0.792 -1.675 1.00 0.00 C ATOM 0 H VAL A 115 -7.565 1.505 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.924 3.432 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.787 0.675 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.200 0.905 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.015 2.228 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.715 2.520 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.146 -0.095 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -10.658 1.521 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.631 0.514 -2.706 1.00 0.00 H new ATOM 1845 N LEU A 116 -6.847 4.302 -0.659 1.00 0.00 N ATOM 1846 CA LEU A 116 -5.620 4.881 -0.124 1.00 0.00 C ATOM 1847 C LEU A 116 -5.742 5.092 1.382 1.00 0.00 C ATOM 1848 O LEU A 116 -6.565 5.883 1.842 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.331 6.218 -0.810 1.00 0.00 C ATOM 1850 CG LEU A 116 -5.203 5.999 -2.318 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -6.593 6.026 -2.958 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -4.342 7.110 -2.924 1.00 0.00 C ATOM 0 H LEU A 116 -7.688 4.853 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.798 4.191 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.132 6.927 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.412 6.651 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 116 -4.735 5.033 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.502 5.870 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.207 5.235 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.061 6.992 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.251 6.954 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.810 8.076 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.352 7.092 -2.469 1.00 0.00 H new ATOM 1864 N LEU A 117 -4.922 4.376 2.144 1.00 0.00 N ATOM 1865 CA LEU A 117 -4.953 4.491 3.598 1.00 0.00 C ATOM 1866 C LEU A 117 -3.571 4.836 4.144 1.00 0.00 C ATOM 1867 O LEU A 117 -2.790 3.951 4.490 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.429 3.175 4.216 1.00 0.00 C ATOM 1869 CG LEU A 117 -6.898 2.945 3.861 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.326 1.554 4.330 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -7.761 4.004 4.553 1.00 0.00 C ATOM 0 H LEU A 117 -4.233 3.715 1.783 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.645 5.291 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.822 2.348 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.306 3.204 5.299 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.026 3.019 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.373 1.391 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.712 0.799 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.198 1.479 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.809 3.841 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.632 3.930 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.457 4.996 4.219 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.266 6.102 4.230 1.00 0.00 N ATOM 1884 CA PRO A 118 -1.953 6.579 4.751 1.00 0.00 C ATOM 1885 C PRO A 118 -1.641 5.988 6.124 1.00 0.00 C ATOM 1886 O PRO A 118 -2.489 5.342 6.738 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.118 8.100 4.836 1.00 0.00 C ATOM 1888 CG PRO A 118 -3.231 8.439 3.900 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.142 7.215 3.837 1.00 0.00 C ATOM 0 HA PRO A 118 -1.124 6.277 4.111 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -2.354 8.412 5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.198 8.610 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.780 9.312 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.844 8.684 2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.991 7.313 4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.548 7.070 2.836 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.420 6.212 6.598 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.012 5.694 7.899 1.00 0.00 C ATOM 1899 C VAL A 119 0.893 6.692 8.616 1.00 0.00 C ATOM 1900 O VAL A 119 0.459 7.781 8.989 1.00 0.00 O ATOM 1901 CB VAL A 119 0.722 4.362 7.726 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.291 3.253 7.438 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.703 4.467 6.556 1.00 0.00 C ATOM 0 H VAL A 119 0.298 6.744 6.106 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.906 5.537 8.503 1.00 0.00 H new ATOM 0 HB VAL A 119 1.268 4.129 8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.233 2.305 7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.992 3.175 8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.837 3.487 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.226 3.518 6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.156 4.701 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.427 5.256 6.758 1.00 0.00 H new ATOM 1913 N ALA A 120 2.153 6.312 8.805 1.00 0.00 N ATOM 1914 CA ALA A 120 3.111 7.181 9.479 1.00 0.00 C ATOM 1915 C ALA A 120 4.488 6.528 9.506 1.00 0.00 C ATOM 1916 O ALA A 120 5.508 7.199 9.353 1.00 0.00 O ATOM 1917 CB ALA A 120 2.648 7.459 10.911 1.00 0.00 C ATOM 0 H ALA A 120 2.532 5.415 8.503 1.00 0.00 H new ATOM 0 HA ALA A 120 3.173 8.121 8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.369 8.109 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.674 7.948 10.890 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.571 6.519 11.457 1.00 0.00 H new ATOM 1923 N SER A 121 4.507 5.213 9.698 1.00 0.00 N ATOM 1924 CA SER A 121 5.761 4.473 9.740 1.00 0.00 C ATOM 1925 C SER A 121 5.607 3.128 9.037 1.00 0.00 C ATOM 1926 O SER A 121 4.593 2.869 8.390 1.00 0.00 O ATOM 1927 CB SER A 121 6.190 4.250 11.191 1.00 0.00 C ATOM 1928 OG SER A 121 5.686 3.000 11.643 1.00 0.00 O ATOM 0 H SER A 121 3.672 4.641 9.826 1.00 0.00 H new ATOM 0 HA SER A 121 6.525 5.056 9.225 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.277 4.266 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.814 5.056 11.821 1.00 0.00 H new ATOM 0 HG SER A 121 6.306 2.615 12.297 1.00 0.00 H new ATOM 1934 N GLN A 122 6.618 2.277 9.169 1.00 0.00 N ATOM 1935 CA GLN A 122 6.580 0.962 8.539 1.00 0.00 C ATOM 1936 C GLN A 122 5.767 -0.014 9.383 1.00 0.00 C ATOM 1937 O GLN A 122 5.181 -0.962 8.860 1.00 0.00 O ATOM 1938 CB GLN A 122 8.002 0.426 8.369 1.00 0.00 C ATOM 1939 CG GLN A 122 8.739 1.252 7.313 1.00 0.00 C ATOM 1940 CD GLN A 122 10.054 0.573 6.950 1.00 0.00 C ATOM 1941 OE1 GLN A 122 10.912 0.379 7.811 1.00 0.00 O ATOM 1942 NE2 GLN A 122 10.265 0.195 5.719 1.00 0.00 N ATOM 0 H GLN A 122 7.466 2.471 9.701 1.00 0.00 H new ATOM 0 HA GLN A 122 6.107 1.061 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.535 0.472 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.973 -0.622 8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.118 1.360 6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.930 2.256 7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.553 0.356 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.142 -0.262 5.469 1.00 0.00 H new ATOM 1951 N MET A 123 5.739 0.221 10.690 1.00 0.00 N ATOM 1952 CA MET A 123 4.997 -0.647 11.597 1.00 0.00 C ATOM 1953 C MET A 123 3.495 -0.485 11.392 1.00 0.00 C ATOM 1954 O MET A 123 2.767 -1.471 11.269 1.00 0.00 O ATOM 1955 CB MET A 123 5.355 -0.314 13.046 1.00 0.00 C ATOM 1956 CG MET A 123 6.872 -0.395 13.231 1.00 0.00 C ATOM 1957 SD MET A 123 7.479 1.162 13.927 1.00 0.00 S ATOM 1958 CE MET A 123 7.851 0.539 15.584 1.00 0.00 C ATOM 0 H MET A 123 6.218 0.999 11.143 1.00 0.00 H new ATOM 0 HA MET A 123 5.269 -1.680 11.382 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.000 0.685 13.298 1.00 0.00 H new ATOM 0 HB3 MET A 123 4.858 -1.009 13.723 1.00 0.00 H new ATOM 0 HG2 MET A 123 7.125 -1.224 13.892 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.356 -0.591 12.274 1.00 0.00 H new ATOM 0 HE1 MET A 123 8.246 1.349 16.197 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.940 0.151 16.040 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.591 -0.258 15.515 1.00 0.00 H new ATOM 1968 N GLU A 124 3.036 0.761 11.357 1.00 0.00 N ATOM 1969 CA GLU A 124 1.617 1.034 11.166 1.00 0.00 C ATOM 1970 C GLU A 124 1.056 0.157 10.051 1.00 0.00 C ATOM 1971 O GLU A 124 -0.002 -0.449 10.198 1.00 0.00 O ATOM 1972 CB GLU A 124 1.409 2.508 10.815 1.00 0.00 C ATOM 1973 CG GLU A 124 1.370 3.338 12.100 1.00 0.00 C ATOM 1974 CD GLU A 124 2.735 3.312 12.779 1.00 0.00 C ATOM 1975 OE1 GLU A 124 3.093 2.271 13.306 1.00 0.00 O ATOM 1976 OE2 GLU A 124 3.402 4.333 12.762 1.00 0.00 O ATOM 0 H GLU A 124 3.620 1.591 11.457 1.00 0.00 H new ATOM 0 HA GLU A 124 1.091 0.808 12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.215 2.856 10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.479 2.633 10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.088 4.366 11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 124 0.611 2.943 12.775 1.00 0.00 H new ATOM 1983 N ALA A 125 1.784 0.090 8.941 1.00 0.00 N ATOM 1984 CA ALA A 125 1.367 -0.719 7.803 1.00 0.00 C ATOM 1985 C ALA A 125 1.361 -2.192 8.187 1.00 0.00 C ATOM 1986 O ALA A 125 0.346 -2.873 8.052 1.00 0.00 O ATOM 1987 CB ALA A 125 2.318 -0.495 6.625 1.00 0.00 C ATOM 0 H ALA A 125 2.665 0.586 8.806 1.00 0.00 H new ATOM 0 HA ALA A 125 0.360 -0.422 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.999 -1.104 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.304 0.557 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.330 -0.779 6.915 1.00 0.00 H new ATOM 1993 N SER A 126 2.495 -2.676 8.682 1.00 0.00 N ATOM 1994 CA SER A 126 2.590 -4.067 9.097 1.00 0.00 C ATOM 1995 C SER A 126 1.492 -4.366 10.106 1.00 0.00 C ATOM 1996 O SER A 126 0.984 -5.485 10.182 1.00 0.00 O ATOM 1997 CB SER A 126 3.958 -4.338 9.725 1.00 0.00 C ATOM 1998 OG SER A 126 4.024 -3.710 10.999 1.00 0.00 O ATOM 0 H SER A 126 3.350 -2.133 8.804 1.00 0.00 H new ATOM 0 HA SER A 126 2.472 -4.711 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.118 -5.411 9.827 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.749 -3.958 9.078 1.00 0.00 H new ATOM 0 HG SER A 126 3.554 -2.851 10.965 1.00 0.00 H new ATOM 2004 N CYS A 127 1.124 -3.344 10.872 1.00 0.00 N ATOM 2005 CA CYS A 127 0.076 -3.484 11.871 1.00 0.00 C ATOM 2006 C CYS A 127 -1.293 -3.274 11.233 1.00 0.00 C ATOM 2007 O CYS A 127 -2.269 -3.920 11.615 1.00 0.00 O ATOM 2008 CB CYS A 127 0.283 -2.466 12.994 1.00 0.00 C ATOM 2009 SG CYS A 127 -0.234 -3.192 14.569 1.00 0.00 S ATOM 0 H CYS A 127 1.536 -2.413 10.819 1.00 0.00 H new ATOM 0 HA CYS A 127 0.123 -4.491 12.286 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.331 -2.172 13.044 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.293 -1.563 12.791 1.00 0.00 H new ATOM 0 HG CYS A 127 -0.056 -2.328 15.524 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.361 -2.367 10.257 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.628 -2.094 9.583 1.00 0.00 C ATOM 2017 C LEU A 128 -2.982 -3.229 8.627 1.00 0.00 C ATOM 2018 O LEU A 128 -4.154 -3.558 8.446 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.544 -0.779 8.801 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.175 0.352 9.616 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -2.223 0.773 10.737 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -3.441 1.551 8.702 1.00 0.00 C ATOM 0 H LEU A 128 -0.569 -1.819 9.921 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.405 -2.012 10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.503 -0.543 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -3.058 -0.881 7.845 1.00 0.00 H new ATOM 0 HG LEU A 128 -4.113 0.004 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.676 1.579 11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.030 -0.078 11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.284 1.119 10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.891 2.357 9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.501 1.895 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -4.121 1.256 7.903 1.00 0.00 H new ATOM 2034 N VAL A 129 -1.963 -3.823 8.019 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.179 -4.919 7.082 1.00 0.00 C ATOM 2036 C VAL A 129 -2.551 -6.196 7.828 1.00 0.00 C ATOM 2037 O VAL A 129 -3.583 -6.809 7.554 1.00 0.00 O ATOM 2038 CB VAL A 129 -0.914 -5.159 6.258 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -1.074 -6.442 5.440 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -0.687 -3.975 5.313 1.00 0.00 C ATOM 0 H VAL A 129 -0.985 -3.567 8.156 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.999 -4.647 6.418 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.059 -5.259 6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.172 -6.614 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.235 -7.285 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -1.929 -6.343 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 129 0.215 -4.146 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.542 -3.874 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.572 -3.061 5.896 1.00 0.00 H new ATOM 2050 N ILE A 130 -1.703 -6.592 8.772 1.00 0.00 N ATOM 2051 CA ILE A 130 -1.952 -7.800 9.551 1.00 0.00 C ATOM 2052 C ILE A 130 -3.290 -7.704 10.276 1.00 0.00 C ATOM 2053 O ILE A 130 -4.119 -8.609 10.190 1.00 0.00 O ATOM 2054 CB ILE A 130 -0.831 -8.006 10.570 1.00 0.00 C ATOM 2055 CG1 ILE A 130 0.492 -8.216 9.831 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -1.139 -9.238 11.424 1.00 0.00 C ATOM 2057 CD1 ILE A 130 1.648 -8.179 10.832 1.00 0.00 C ATOM 0 H ILE A 130 -0.844 -6.099 9.015 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.982 -8.649 8.868 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.755 -7.129 11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.481 -9.172 9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.626 -7.441 9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.340 -9.386 12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.084 -9.091 11.948 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.213 -10.116 10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.590 -8.329 10.305 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.663 -7.212 11.335 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.515 -8.970 11.570 1.00 0.00 H new ATOM 2069 N GLN A 131 -3.494 -6.602 10.990 1.00 0.00 N ATOM 2070 CA GLN A 131 -4.738 -6.403 11.722 1.00 0.00 C ATOM 2071 C GLN A 131 -5.934 -6.682 10.819 1.00 0.00 C ATOM 2072 O GLN A 131 -6.988 -7.118 11.282 1.00 0.00 O ATOM 2073 CB GLN A 131 -4.811 -4.969 12.247 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.236 -4.667 12.714 1.00 0.00 C ATOM 2075 CD GLN A 131 -6.220 -3.538 13.738 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -5.287 -2.736 13.764 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -7.203 -3.428 14.589 1.00 0.00 N ATOM 0 H GLN A 131 -2.821 -5.840 11.077 1.00 0.00 H new ATOM 0 HA GLN A 131 -4.762 -7.095 12.563 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.111 -4.837 13.072 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -4.518 -4.269 11.465 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -6.855 -4.387 11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -6.681 -5.560 13.152 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.975 -4.094 14.565 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.199 -2.676 15.278 1.00 0.00 H new ATOM 2086 N LEU A 132 -5.760 -6.431 9.525 1.00 0.00 N ATOM 2087 CA LEU A 132 -6.827 -6.660 8.559 1.00 0.00 C ATOM 2088 C LEU A 132 -6.867 -8.128 8.146 1.00 0.00 C ATOM 2089 O LEU A 132 -7.939 -8.721 8.027 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.606 -5.789 7.321 1.00 0.00 C ATOM 2091 CG LEU A 132 -7.958 -5.402 6.720 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -8.600 -4.298 7.565 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -7.751 -4.897 5.290 1.00 0.00 C ATOM 0 H LEU A 132 -4.894 -6.071 9.123 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.777 -6.397 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -6.046 -4.893 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -6.010 -6.329 6.585 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.613 -6.273 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -9.563 -4.024 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.747 -4.658 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.948 -3.425 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.713 -4.620 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -7.095 -4.026 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -7.297 -5.684 4.688 1.00 0.00 H new ATOM 2105 N VAL A 133 -5.691 -8.706 7.928 1.00 0.00 N ATOM 2106 CA VAL A 133 -5.600 -10.105 7.527 1.00 0.00 C ATOM 2107 C VAL A 133 -6.139 -11.015 8.625 1.00 0.00 C ATOM 2108 O VAL A 133 -6.770 -12.034 8.345 1.00 0.00 O ATOM 2109 CB VAL A 133 -4.144 -10.467 7.231 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -4.052 -11.946 6.854 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -3.634 -9.613 6.067 1.00 0.00 C ATOM 0 H VAL A 133 -4.793 -8.231 8.021 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.201 -10.246 6.629 1.00 0.00 H new ATOM 0 HB VAL A 133 -3.536 -10.279 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.014 -12.204 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.416 -12.556 7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.660 -12.134 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.596 -9.870 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -4.243 -9.802 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.699 -8.558 6.334 1.00 0.00 H new ATOM 2121 N GLN A 134 -5.886 -10.643 9.876 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.352 -11.438 11.007 1.00 0.00 C ATOM 2123 C GLN A 134 -7.873 -11.390 11.108 1.00 0.00 C ATOM 2124 O GLN A 134 -8.494 -12.275 11.695 1.00 0.00 O ATOM 2125 CB GLN A 134 -5.736 -10.913 12.305 1.00 0.00 C ATOM 2126 CG GLN A 134 -5.880 -11.968 13.406 1.00 0.00 C ATOM 2127 CD GLN A 134 -6.656 -11.390 14.585 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -6.106 -10.620 15.373 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -7.908 -11.717 14.754 1.00 0.00 N ATOM 0 H GLN A 134 -5.366 -9.804 10.131 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.043 -12.471 10.850 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.683 -10.676 12.150 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.230 -9.989 12.606 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -6.396 -12.845 13.015 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.895 -12.298 13.735 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -8.361 -12.355 14.100 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -8.433 -11.335 15.540 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.467 -10.351 10.531 1.00 0.00 N ATOM 2139 CA GLU A 135 -9.917 -10.198 10.561 1.00 0.00 C ATOM 2140 C GLU A 135 -10.566 -11.050 9.475 1.00 0.00 C ATOM 2141 O GLU A 135 -11.626 -11.639 9.685 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.293 -8.730 10.353 1.00 0.00 C ATOM 2143 CG GLU A 135 -11.763 -8.522 10.723 1.00 0.00 C ATOM 2144 CD GLU A 135 -12.435 -7.615 9.698 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -11.929 -6.528 9.477 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -13.447 -8.021 9.151 1.00 0.00 O ATOM 0 H GLU A 135 -7.971 -9.607 10.040 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.279 -10.530 11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -9.659 -8.091 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -10.124 -8.444 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.276 -9.483 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.838 -8.080 11.716 1.00 0.00 H new ATOM 2153 N GLN A 136 -9.921 -11.109 8.315 1.00 0.00 N ATOM 2154 CA GLN A 136 -10.444 -11.891 7.201 1.00 0.00 C ATOM 2155 C GLN A 136 -10.414 -13.380 7.532 1.00 0.00 C ATOM 2156 O GLN A 136 -11.418 -14.078 7.386 1.00 0.00 O ATOM 2157 CB GLN A 136 -9.614 -11.627 5.943 1.00 0.00 C ATOM 2158 CG GLN A 136 -9.978 -12.651 4.867 1.00 0.00 C ATOM 2159 CD GLN A 136 -9.517 -12.158 3.499 1.00 0.00 C ATOM 2160 OE1 GLN A 136 -10.081 -12.547 2.477 1.00 0.00 O ATOM 2161 NE2 GLN A 136 -8.521 -11.320 3.419 1.00 0.00 N ATOM 0 H GLN A 136 -9.042 -10.629 8.122 1.00 0.00 H new ATOM 0 HA GLN A 136 -11.477 -11.591 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.800 -10.617 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -8.551 -11.691 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -9.511 -13.610 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.056 -12.815 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -8.055 -10.999 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -8.208 -10.986 2.508 1.00 0.00 H new ATOM 2170 N THR A 137 -9.258 -13.860 7.979 1.00 0.00 N ATOM 2171 CA THR A 137 -9.112 -15.269 8.329 1.00 0.00 C ATOM 2172 C THR A 137 -10.369 -15.779 9.024 1.00 0.00 C ATOM 2173 O THR A 137 -11.000 -16.732 8.567 1.00 0.00 O ATOM 2174 CB THR A 137 -7.904 -15.455 9.250 1.00 0.00 C ATOM 2175 OG1 THR A 137 -6.952 -14.433 8.990 1.00 0.00 O ATOM 2176 CG2 THR A 137 -7.269 -16.823 8.996 1.00 0.00 C ATOM 0 H THR A 137 -8.415 -13.300 8.107 1.00 0.00 H new ATOM 0 HA THR A 137 -8.960 -15.840 7.413 1.00 0.00 H new ATOM 0 HB THR A 137 -8.227 -15.396 10.289 1.00 0.00 H new ATOM 0 HG1 THR A 137 -7.268 -13.587 9.370 1.00 0.00 H new ATOM 0 HG21 THR A 137 -6.409 -16.953 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 137 -8.000 -17.606 9.196 1.00 0.00 H new ATOM 0 HG23 THR A 137 -6.945 -16.886 7.957 1.00 0.00 H new ATOM 2184 N LYS A 138 -10.729 -15.137 10.131 1.00 0.00 N ATOM 2185 CA LYS A 138 -11.916 -15.533 10.881 1.00 0.00 C ATOM 2186 C LYS A 138 -13.016 -16.000 9.932 1.00 0.00 C ATOM 2187 O LYS A 138 -13.069 -15.583 8.775 1.00 0.00 O ATOM 2188 CB LYS A 138 -12.424 -14.355 11.714 1.00 0.00 C ATOM 2189 CG LYS A 138 -12.121 -14.603 13.193 1.00 0.00 C ATOM 2190 CD LYS A 138 -12.581 -13.398 14.018 1.00 0.00 C ATOM 2191 CE LYS A 138 -13.743 -13.811 14.923 1.00 0.00 C ATOM 2192 NZ LYS A 138 -13.282 -14.860 15.876 1.00 0.00 N ATOM 0 H LYS A 138 -10.220 -14.346 10.526 1.00 0.00 H new ATOM 0 HA LYS A 138 -11.648 -16.356 11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -11.948 -13.432 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -13.497 -14.230 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -12.629 -15.505 13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -11.053 -14.767 13.334 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -11.755 -13.019 14.620 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -12.891 -12.589 13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -14.117 -12.946 15.471 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -14.570 -14.189 14.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -13.777 -14.746 16.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -13.490 -15.801 15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -12.257 -14.766 16.026 1.00 0.00 H new ATOM 2206 N GLU A 139 -13.892 -16.866 10.430 1.00 0.00 N ATOM 2207 CA GLU A 139 -14.987 -17.382 9.617 1.00 0.00 C ATOM 2208 C GLU A 139 -15.419 -16.348 8.582 1.00 0.00 C ATOM 2209 O GLU A 139 -16.546 -16.384 8.089 1.00 0.00 O ATOM 2210 CB GLU A 139 -16.176 -17.742 10.512 1.00 0.00 C ATOM 2211 CG GLU A 139 -16.353 -19.262 10.546 1.00 0.00 C ATOM 2212 CD GLU A 139 -16.909 -19.751 9.213 1.00 0.00 C ATOM 2213 OE1 GLU A 139 -18.068 -19.482 8.942 1.00 0.00 O ATOM 2214 OE2 GLU A 139 -16.168 -20.387 8.482 1.00 0.00 O ATOM 0 H GLU A 139 -13.866 -17.223 11.385 1.00 0.00 H new ATOM 0 HA GLU A 139 -14.641 -18.275 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -16.013 -17.362 11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -17.083 -17.269 10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -15.396 -19.744 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -17.028 -19.540 11.355 1.00 0.00 H new TER 2221 GLU A 139