USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 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 11 THR OG1 : rot 180:sc= -0.222 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.705 K(o=-0.97,f=-4.1!) USER MOD Set 1.3: A 59 GLN : amide:sc= -0.0466 X(o=-0.97,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc=-0.00166 (180deg=-0.723) USER MOD Single : A 3 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00521 X(o=-0.0052,f=-0.085) USER MOD Single : A 7 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-4.5!) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -2.47! C(o=-3.1!,f=-2.5!) USER MOD Single : A 9 MET CE :methyl 154:sc= -0.156 (180deg=-1.17) USER MOD Single : A 16 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.7) USER MOD Single : A 20 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot -120:sc= -0.623 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.57) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0299 (180deg=-0.282) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.574 F(o=-4.2!,f=-0.57) USER MOD Single : A 51 GLN : amide:sc= -2.51! C(o=-2.5!,f=-3.2!) USER MOD Single : A 52 ASN : amide:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : A 61 SER OG : rot 180:sc= 0.11 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 68 GLN : amide:sc= -0.335 X(o=-0.34,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.47 K(o=-3.5,f=-6.9!) USER MOD Single : A 75 SER OG : rot 81:sc= 1.11 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= -0.277 (180deg=-0.993) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.945 11.824 -4.537 1.00 1.00 N ATOM 2 CA MET A 1 14.956 11.103 -3.686 1.00 1.00 C ATOM 3 C MET A 1 15.573 10.824 -2.318 1.00 1.00 C ATOM 4 O MET A 1 16.420 9.941 -2.177 1.00 1.00 O ATOM 5 CB MET A 1 14.568 9.787 -4.361 1.00 1.00 C ATOM 6 CG MET A 1 14.298 10.036 -5.847 1.00 1.00 C ATOM 7 SD MET A 1 13.083 8.836 -6.448 1.00 1.00 S ATOM 8 CE MET A 1 14.246 7.742 -7.299 1.00 1.00 C ATOM 0 H1 MET A 1 15.442 12.402 -5.240 1.00 1.00 H new ATOM 0 H2 MET A 1 16.533 12.440 -3.940 1.00 1.00 H new ATOM 0 H3 MET A 1 16.551 11.134 -5.026 1.00 1.00 H new ATOM 0 HA MET A 1 14.064 11.716 -3.559 1.00 1.00 H new ATOM 0 HB2 MET A 1 15.368 9.056 -4.243 1.00 1.00 H new ATOM 0 HB3 MET A 1 13.681 9.369 -3.884 1.00 1.00 H new ATOM 0 HG2 MET A 1 13.928 11.050 -5.995 1.00 1.00 H new ATOM 0 HG3 MET A 1 15.224 9.948 -6.416 1.00 1.00 H new ATOM 0 HE1 MET A 1 13.701 6.914 -7.753 1.00 1.00 H new ATOM 0 HE2 MET A 1 14.770 8.300 -8.075 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.969 7.351 -6.583 1.00 1.00 H new ATOM 20 N GLY A 2 15.142 11.582 -1.315 1.00 1.00 N ATOM 21 CA GLY A 2 15.659 11.407 0.038 1.00 1.00 C ATOM 22 C GLY A 2 15.516 12.691 0.846 1.00 1.00 C ATOM 23 O GLY A 2 14.728 12.757 1.790 1.00 1.00 O ATOM 0 H GLY A 2 14.442 12.318 -1.411 1.00 1.00 H new ATOM 0 HA2 GLY A 2 15.122 10.599 0.535 1.00 1.00 H new ATOM 0 HA3 GLY A 2 16.708 11.114 -0.004 1.00 1.00 H new ATOM 27 N HIS A 3 16.282 13.710 0.471 1.00 1.00 N ATOM 28 CA HIS A 3 16.232 14.989 1.170 1.00 1.00 C ATOM 29 C HIS A 3 16.236 14.774 2.680 1.00 1.00 C ATOM 30 O HIS A 3 17.295 14.702 3.304 1.00 1.00 O ATOM 31 CB HIS A 3 14.973 15.757 0.765 1.00 1.00 C ATOM 32 CG HIS A 3 15.083 16.174 -0.676 1.00 1.00 C ATOM 33 ND1 HIS A 3 15.110 17.506 -1.060 1.00 1.00 N ATOM 34 CD2 HIS A 3 15.174 15.449 -1.838 1.00 1.00 C ATOM 35 CE1 HIS A 3 15.214 17.541 -2.400 1.00 1.00 C ATOM 36 NE2 HIS A 3 15.257 16.314 -2.925 1.00 1.00 N ATOM 0 H HIS A 3 16.940 13.676 -0.307 1.00 1.00 H new ATOM 0 HA HIS A 3 17.114 15.567 0.894 1.00 1.00 H new ATOM 0 HB2 HIS A 3 14.091 15.132 0.908 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.849 16.634 1.400 1.00 1.00 H new ATOM 0 HD2 HIS A 3 15.180 14.371 -1.899 1.00 1.00 H new ATOM 0 HE1 HIS A 3 15.257 18.450 -2.981 1.00 1.00 H new ATOM 0 HE2 HIS A 3 15.334 16.064 -3.911 1.00 1.00 H new ATOM 44 N HIS A 4 15.045 14.674 3.261 1.00 1.00 N ATOM 45 CA HIS A 4 14.924 14.468 4.701 1.00 1.00 C ATOM 46 C HIS A 4 13.790 13.495 5.009 1.00 1.00 C ATOM 47 O HIS A 4 12.760 13.493 4.334 1.00 1.00 O ATOM 48 CB HIS A 4 14.657 15.802 5.399 1.00 1.00 C ATOM 49 CG HIS A 4 15.955 16.372 5.902 1.00 1.00 C ATOM 50 ND1 HIS A 4 16.711 17.263 5.155 1.00 1.00 N ATOM 51 CD2 HIS A 4 16.643 16.189 7.075 1.00 1.00 C ATOM 52 CE1 HIS A 4 17.800 17.578 5.878 1.00 1.00 C ATOM 53 NE2 HIS A 4 17.808 16.951 7.059 1.00 1.00 N ATOM 0 H HIS A 4 14.157 14.732 2.763 1.00 1.00 H new ATOM 0 HA HIS A 4 15.860 14.047 5.069 1.00 1.00 H new ATOM 0 HB2 HIS A 4 14.185 16.499 4.707 1.00 1.00 H new ATOM 0 HB3 HIS A 4 13.964 15.659 6.228 1.00 1.00 H new ATOM 0 HD2 HIS A 4 16.328 15.551 7.887 1.00 1.00 H new ATOM 0 HE1 HIS A 4 18.573 18.255 5.546 1.00 1.00 H new ATOM 0 HE2 HIS A 4 18.516 17.017 7.791 1.00 1.00 H new ATOM 61 N HIS A 5 13.987 12.670 6.032 1.00 1.00 N ATOM 62 CA HIS A 5 12.974 11.696 6.421 1.00 1.00 C ATOM 63 C HIS A 5 11.668 12.396 6.783 1.00 1.00 C ATOM 64 O HIS A 5 11.378 12.622 7.959 1.00 1.00 O ATOM 65 CB HIS A 5 13.466 10.880 7.618 1.00 1.00 C ATOM 66 CG HIS A 5 14.096 9.604 7.129 1.00 1.00 C ATOM 67 ND1 HIS A 5 13.368 8.436 6.965 1.00 1.00 N ATOM 68 CD2 HIS A 5 15.384 9.298 6.766 1.00 1.00 C ATOM 69 CE1 HIS A 5 14.215 7.489 6.521 1.00 1.00 C ATOM 70 NE2 HIS A 5 15.457 7.961 6.382 1.00 1.00 N ATOM 0 H HIS A 5 14.832 12.656 6.603 1.00 1.00 H new ATOM 0 HA HIS A 5 12.794 11.030 5.577 1.00 1.00 H new ATOM 0 HB2 HIS A 5 14.189 11.458 8.194 1.00 1.00 H new ATOM 0 HB3 HIS A 5 12.634 10.655 8.285 1.00 1.00 H new ATOM 0 HD2 HIS A 5 16.214 9.989 6.777 1.00 1.00 H new ATOM 0 HE1 HIS A 5 13.926 6.471 6.304 1.00 1.00 H new ATOM 0 HE2 HIS A 5 16.281 7.452 6.063 1.00 1.00 H new ATOM 78 N HIS A 6 10.884 12.739 5.767 1.00 1.00 N ATOM 79 CA HIS A 6 9.611 13.414 5.990 1.00 1.00 C ATOM 80 C HIS A 6 8.809 12.698 7.072 1.00 1.00 C ATOM 81 O HIS A 6 9.160 11.596 7.494 1.00 1.00 O ATOM 82 CB HIS A 6 8.803 13.447 4.692 1.00 1.00 C ATOM 83 CG HIS A 6 9.449 14.398 3.722 1.00 1.00 C ATOM 84 ND1 HIS A 6 9.550 15.757 3.976 1.00 1.00 N ATOM 85 CD2 HIS A 6 10.031 14.201 2.495 1.00 1.00 C ATOM 86 CE1 HIS A 6 10.172 16.321 2.924 1.00 1.00 C ATOM 87 NE2 HIS A 6 10.487 15.417 1.993 1.00 1.00 N ATOM 0 H HIS A 6 11.105 12.562 4.787 1.00 1.00 H new ATOM 0 HA HIS A 6 9.814 14.434 6.317 1.00 1.00 H new ATOM 0 HB2 HIS A 6 8.751 12.448 4.258 1.00 1.00 H new ATOM 0 HB3 HIS A 6 7.779 13.760 4.897 1.00 1.00 H new ATOM 0 HD2 HIS A 6 10.122 13.248 1.995 1.00 1.00 H new ATOM 0 HE1 HIS A 6 10.390 17.376 2.843 1.00 1.00 H new ATOM 0 HE2 HIS A 6 10.960 15.582 1.105 1.00 1.00 H new ATOM 95 N HIS A 7 7.728 13.332 7.518 1.00 1.00 N ATOM 96 CA HIS A 7 6.882 12.746 8.552 1.00 1.00 C ATOM 97 C HIS A 7 5.409 12.970 8.230 1.00 1.00 C ATOM 98 O HIS A 7 4.555 12.920 9.115 1.00 1.00 O ATOM 99 CB HIS A 7 7.212 13.366 9.910 1.00 1.00 C ATOM 100 CG HIS A 7 6.611 14.744 9.991 1.00 1.00 C ATOM 101 ND1 HIS A 7 6.245 15.459 8.861 1.00 1.00 N ATOM 102 CD2 HIS A 7 6.307 15.550 11.059 1.00 1.00 C ATOM 103 CE1 HIS A 7 5.746 16.638 9.271 1.00 1.00 C ATOM 104 NE2 HIS A 7 5.762 16.746 10.602 1.00 1.00 N ATOM 0 H HIS A 7 7.419 14.244 7.182 1.00 1.00 H new ATOM 0 HA HIS A 7 7.074 11.674 8.588 1.00 1.00 H new ATOM 0 HB2 HIS A 7 6.822 12.740 10.712 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.292 13.420 10.044 1.00 1.00 H new ATOM 0 HD2 HIS A 7 6.466 15.295 12.096 1.00 1.00 H new ATOM 0 HE1 HIS A 7 5.377 17.404 8.605 1.00 1.00 H new ATOM 0 HE2 HIS A 7 5.443 17.536 11.163 1.00 1.00 H new ATOM 112 N HIS A 8 5.118 13.220 6.957 1.00 1.00 N ATOM 113 CA HIS A 8 3.742 13.449 6.530 1.00 1.00 C ATOM 114 C HIS A 8 3.142 12.176 5.943 1.00 1.00 C ATOM 115 O HIS A 8 3.726 11.098 6.048 1.00 1.00 O ATOM 116 CB HIS A 8 3.698 14.566 5.486 1.00 1.00 C ATOM 117 CG HIS A 8 2.308 15.136 5.420 1.00 1.00 C ATOM 118 ND1 HIS A 8 1.408 15.242 4.390 1.00 1.00 N flip ATOM 119 CD2 HIS A 8 1.685 15.693 6.526 1.00 1.00 C flip ATOM 120 CE1 HIS A 8 0.244 15.855 4.845 1.00 1.00 C flip ATOM 121 NE2 HIS A 8 0.463 16.105 6.139 1.00 1.00 N flip ATOM 0 H HIS A 8 5.810 13.269 6.209 1.00 1.00 H new ATOM 0 HA HIS A 8 3.156 13.743 7.401 1.00 1.00 H new ATOM 0 HB2 HIS A 8 4.411 15.348 5.745 1.00 1.00 H new ATOM 0 HB3 HIS A 8 3.990 14.178 4.510 1.00 1.00 H new ATOM 0 HD2 HIS A 8 2.104 15.781 7.518 1.00 1.00 H new ATOM 0 HE1 HIS A 8 -0.645 16.080 4.275 1.00 1.00 H new ATOM 0 HE2 HIS A 8 -0.213 16.553 6.758 1.00 1.00 H new ATOM 129 N MET A 9 1.973 12.309 5.325 1.00 1.00 N ATOM 130 CA MET A 9 1.304 11.160 4.725 1.00 1.00 C ATOM 131 C MET A 9 1.826 10.911 3.316 1.00 1.00 C ATOM 132 O MET A 9 1.610 11.714 2.408 1.00 1.00 O ATOM 133 CB MET A 9 -0.205 11.400 4.676 1.00 1.00 C ATOM 134 CG MET A 9 -0.852 10.428 3.688 1.00 1.00 C ATOM 135 SD MET A 9 -2.626 10.310 4.033 1.00 1.00 S ATOM 136 CE MET A 9 -2.984 12.084 3.986 1.00 1.00 C ATOM 0 H MET A 9 1.473 13.192 5.227 1.00 1.00 H new ATOM 0 HA MET A 9 1.512 10.283 5.338 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.636 11.266 5.668 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.410 12.428 4.376 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.691 10.771 2.666 1.00 1.00 H new ATOM 0 HG3 MET A 9 -0.388 9.445 3.771 1.00 1.00 H new ATOM 0 HE1 MET A 9 -4.029 12.237 3.715 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.796 12.519 4.967 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.343 12.565 3.247 1.00 1.00 H new ATOM 146 N ASP A 10 2.515 9.790 3.143 1.00 1.00 N ATOM 147 CA ASP A 10 3.068 9.434 1.841 1.00 1.00 C ATOM 148 C ASP A 10 3.564 7.993 1.849 1.00 1.00 C ATOM 149 O ASP A 10 4.508 7.644 1.139 1.00 1.00 O ATOM 150 CB ASP A 10 4.224 10.374 1.490 1.00 1.00 C ATOM 151 CG ASP A 10 5.233 10.410 2.633 1.00 1.00 C ATOM 152 OD1 ASP A 10 4.847 10.793 3.725 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.377 10.057 2.398 1.00 1.00 O ATOM 0 H ASP A 10 2.704 9.114 3.883 1.00 1.00 H new ATOM 0 HA ASP A 10 2.282 9.532 1.092 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.711 10.038 0.574 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.843 11.377 1.299 1.00 1.00 H new ATOM 158 N THR A 11 2.921 7.162 2.660 1.00 1.00 N ATOM 159 CA THR A 11 3.302 5.757 2.762 1.00 1.00 C ATOM 160 C THR A 11 2.099 4.912 3.172 1.00 1.00 C ATOM 161 O THR A 11 1.317 5.310 4.035 1.00 1.00 O ATOM 162 CB THR A 11 4.420 5.598 3.798 1.00 1.00 C ATOM 163 OG1 THR A 11 5.489 6.478 3.475 1.00 1.00 O ATOM 164 CG2 THR A 11 4.929 4.156 3.801 1.00 1.00 C ATOM 0 H THR A 11 2.137 7.434 3.254 1.00 1.00 H new ATOM 0 HA THR A 11 3.658 5.417 1.789 1.00 1.00 H new ATOM 0 HB THR A 11 4.030 5.840 4.787 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.205 6.380 4.137 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.723 4.052 4.540 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.110 3.482 4.051 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.317 3.905 2.814 1.00 1.00 H new ATOM 172 N ILE A 12 1.965 3.744 2.551 1.00 1.00 N ATOM 173 CA ILE A 12 0.857 2.848 2.860 1.00 1.00 C ATOM 174 C ILE A 12 1.355 1.651 3.663 1.00 1.00 C ATOM 175 O ILE A 12 2.541 1.321 3.628 1.00 1.00 O ATOM 176 CB ILE A 12 0.200 2.362 1.569 1.00 1.00 C ATOM 177 CG1 ILE A 12 1.285 2.028 0.541 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.707 3.459 1.011 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.719 1.067 -0.506 1.00 1.00 C ATOM 0 H ILE A 12 2.605 3.398 1.836 1.00 1.00 H new ATOM 0 HA ILE A 12 0.123 3.394 3.453 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.394 1.472 1.777 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.638 2.940 0.060 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.144 1.577 1.037 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.175 3.111 0.090 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.479 3.700 1.742 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.115 4.350 0.803 1.00 1.00 H new ATOM 0 HD11 ILE A 12 1.492 0.830 -1.237 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.388 0.151 -0.017 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.126 1.535 -1.010 1.00 1.00 H new ATOM 191 N ILE A 13 0.444 1.008 4.385 1.00 1.00 N ATOM 192 CA ILE A 13 0.807 -0.154 5.195 1.00 1.00 C ATOM 193 C ILE A 13 -0.219 -1.271 5.022 1.00 1.00 C ATOM 194 O ILE A 13 -1.423 -1.023 4.979 1.00 1.00 O ATOM 195 CB ILE A 13 0.911 0.252 6.676 1.00 1.00 C ATOM 196 CG1 ILE A 13 1.922 -0.650 7.397 1.00 1.00 C ATOM 197 CG2 ILE A 13 -0.454 0.117 7.358 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.130 -0.143 8.828 1.00 1.00 C ATOM 0 H ILE A 13 -0.542 1.266 4.428 1.00 1.00 H new ATOM 0 HA ILE A 13 1.776 -0.525 4.860 1.00 1.00 H new ATOM 0 HB ILE A 13 1.242 1.289 6.728 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.561 -1.678 7.413 1.00 1.00 H new ATOM 0 HG13 ILE A 13 2.870 -0.653 6.860 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -0.368 0.407 8.405 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -1.175 0.765 6.860 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.792 -0.917 7.295 1.00 1.00 H new ATOM 0 HD11 ILE A 13 2.848 -0.784 9.340 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.510 0.878 8.801 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.180 -0.163 9.363 1.00 1.00 H new ATOM 210 N LEU A 14 0.273 -2.502 4.919 1.00 1.00 N ATOM 211 CA LEU A 14 -0.607 -3.652 4.748 1.00 1.00 C ATOM 212 C LEU A 14 -0.819 -4.357 6.087 1.00 1.00 C ATOM 213 O LEU A 14 0.133 -4.590 6.834 1.00 1.00 O ATOM 214 CB LEU A 14 -0.005 -4.631 3.733 1.00 1.00 C ATOM 215 CG LEU A 14 0.934 -3.889 2.777 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.451 -4.863 1.718 1.00 1.00 C ATOM 217 CD2 LEU A 14 0.174 -2.753 2.088 1.00 1.00 C ATOM 0 H LEU A 14 1.267 -2.727 4.951 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.570 -3.303 4.376 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.541 -5.417 4.254 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.801 -5.117 3.169 1.00 1.00 H new ATOM 0 HG LEU A 14 1.771 -3.477 3.340 1.00 1.00 H new ATOM 0 HD11 LEU A 14 2.120 -4.338 1.036 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.993 -5.675 2.204 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.610 -5.272 1.158 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.844 -2.227 1.408 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -0.664 -3.165 1.525 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.200 -2.058 2.839 1.00 1.00 H new ATOM 229 N ARG A 15 -2.078 -4.675 6.386 1.00 1.00 N ATOM 230 CA ARG A 15 -2.427 -5.334 7.643 1.00 1.00 C ATOM 231 C ARG A 15 -3.123 -6.669 7.382 1.00 1.00 C ATOM 232 O ARG A 15 -3.760 -6.856 6.346 1.00 1.00 O ATOM 233 CB ARG A 15 -3.349 -4.406 8.448 1.00 1.00 C ATOM 234 CG ARG A 15 -4.088 -5.182 9.549 1.00 1.00 C ATOM 235 CD ARG A 15 -4.787 -4.194 10.494 1.00 1.00 C ATOM 236 NE ARG A 15 -5.258 -4.886 11.688 1.00 1.00 N ATOM 237 CZ ARG A 15 -5.585 -4.215 12.786 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.490 -2.913 12.809 1.00 1.00 N ATOM 239 NH2 ARG A 15 -6.002 -4.856 13.844 1.00 1.00 N ATOM 0 H ARG A 15 -2.873 -4.487 5.775 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.517 -5.536 8.208 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.762 -3.604 8.895 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.072 -3.938 7.780 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.820 -5.856 9.104 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.385 -5.800 10.108 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.097 -3.398 10.775 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.627 -3.723 9.983 1.00 1.00 H new ATOM 0 HE ARG A 15 -5.338 -5.903 11.680 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.164 -2.411 11.983 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.741 -2.398 13.653 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -6.077 -5.873 13.828 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -6.253 -4.340 14.687 1.00 1.00 H new ATOM 253 N ASN A 16 -2.997 -7.587 8.338 1.00 1.00 N ATOM 254 CA ASN A 16 -3.619 -8.903 8.221 1.00 1.00 C ATOM 255 C ASN A 16 -3.097 -9.640 6.993 1.00 1.00 C ATOM 256 O ASN A 16 -3.870 -10.051 6.126 1.00 1.00 O ATOM 257 CB ASN A 16 -5.140 -8.754 8.125 1.00 1.00 C ATOM 258 CG ASN A 16 -5.810 -10.119 8.229 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.628 -10.828 9.219 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.583 -10.529 7.263 1.00 1.00 N ATOM 0 H ASN A 16 -2.471 -7.444 9.200 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.366 -9.483 9.109 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.500 -8.102 8.921 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.407 -8.280 7.180 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -7.039 -11.439 7.326 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.732 -9.940 6.444 1.00 1.00 H new ATOM 267 N ILE A 17 -1.780 -9.799 6.925 1.00 1.00 N ATOM 268 CA ILE A 17 -1.156 -10.484 5.800 1.00 1.00 C ATOM 269 C ILE A 17 -0.829 -11.928 6.165 1.00 1.00 C ATOM 270 O ILE A 17 -0.620 -12.252 7.332 1.00 1.00 O ATOM 271 CB ILE A 17 0.130 -9.757 5.396 1.00 1.00 C ATOM 272 CG1 ILE A 17 -0.051 -8.239 5.549 1.00 1.00 C ATOM 273 CG2 ILE A 17 0.477 -10.097 3.945 1.00 1.00 C ATOM 274 CD1 ILE A 17 -1.238 -7.750 4.710 1.00 1.00 C ATOM 0 H ILE A 17 -1.126 -9.464 7.633 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.856 -10.481 4.964 1.00 1.00 H new ATOM 0 HB ILE A 17 0.943 -10.081 6.046 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.213 -7.990 6.598 1.00 1.00 H new ATOM 0 HG13 ILE A 17 0.858 -7.725 5.237 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.392 -9.579 3.659 1.00 1.00 H new ATOM 0 HG22 ILE A 17 0.624 -11.173 3.848 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -0.337 -9.782 3.293 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -1.350 -6.673 4.831 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -1.060 -7.980 3.659 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -2.148 -8.249 5.042 1.00 1.00 H new ATOM 286 N ALA A 18 -0.788 -12.792 5.155 1.00 1.00 N ATOM 287 CA ALA A 18 -0.485 -14.201 5.384 1.00 1.00 C ATOM 288 C ALA A 18 1.029 -14.428 5.397 1.00 1.00 C ATOM 289 O ALA A 18 1.789 -13.606 4.884 1.00 1.00 O ATOM 290 CB ALA A 18 -1.122 -15.057 4.289 1.00 1.00 C ATOM 0 H ALA A 18 -0.959 -12.545 4.180 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.893 -14.489 6.353 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.891 -16.107 4.468 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.203 -14.916 4.300 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.727 -14.759 3.318 1.00 1.00 H new ATOM 296 N PRO A 19 1.477 -15.519 5.968 1.00 1.00 N ATOM 297 CA PRO A 19 2.932 -15.852 6.042 1.00 1.00 C ATOM 298 C PRO A 19 3.491 -16.327 4.700 1.00 1.00 C ATOM 299 O PRO A 19 4.676 -16.639 4.589 1.00 1.00 O ATOM 300 CB PRO A 19 2.986 -16.980 7.073 1.00 1.00 C ATOM 301 CG PRO A 19 1.656 -17.649 6.983 1.00 1.00 C ATOM 302 CD PRO A 19 0.651 -16.559 6.610 1.00 1.00 C ATOM 0 HA PRO A 19 3.535 -14.984 6.308 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.794 -17.677 6.853 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.165 -16.591 8.075 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.668 -18.439 6.233 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.390 -18.115 7.932 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.114 -16.936 5.932 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.135 -16.173 7.489 1.00 1.00 H new ATOM 310 N HIS A 20 2.628 -16.390 3.690 1.00 1.00 N ATOM 311 CA HIS A 20 3.043 -16.843 2.365 1.00 1.00 C ATOM 312 C HIS A 20 3.172 -15.670 1.398 1.00 1.00 C ATOM 313 O HIS A 20 3.130 -15.850 0.182 1.00 1.00 O ATOM 314 CB HIS A 20 2.017 -17.837 1.818 1.00 1.00 C ATOM 315 CG HIS A 20 2.609 -18.585 0.656 1.00 1.00 C ATOM 316 ND1 HIS A 20 3.914 -18.384 0.233 1.00 1.00 N ATOM 317 CD2 HIS A 20 2.086 -19.542 -0.180 1.00 1.00 C ATOM 318 CE1 HIS A 20 4.130 -19.201 -0.816 1.00 1.00 C ATOM 319 NE2 HIS A 20 3.048 -19.929 -1.107 1.00 1.00 N ATOM 0 H HIS A 20 1.643 -16.135 3.762 1.00 1.00 H new ATOM 0 HA HIS A 20 4.017 -17.323 2.459 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.720 -18.536 2.600 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.117 -17.309 1.503 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.081 -19.934 -0.126 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.064 -19.260 -1.356 1.00 1.00 H new ATOM 0 HE2 HIS A 20 2.949 -20.621 -1.850 1.00 1.00 H new ATOM 327 N THR A 21 3.326 -14.469 1.943 1.00 1.00 N ATOM 328 CA THR A 21 3.456 -13.278 1.114 1.00 1.00 C ATOM 329 C THR A 21 4.916 -13.035 0.743 1.00 1.00 C ATOM 330 O THR A 21 5.811 -13.183 1.575 1.00 1.00 O ATOM 331 CB THR A 21 2.900 -12.063 1.859 1.00 1.00 C ATOM 332 OG1 THR A 21 1.487 -12.183 1.962 1.00 1.00 O ATOM 333 CG2 THR A 21 3.253 -10.787 1.095 1.00 1.00 C ATOM 0 H THR A 21 3.364 -14.295 2.947 1.00 1.00 H new ATOM 0 HA THR A 21 2.887 -13.431 0.197 1.00 1.00 H new ATOM 0 HB THR A 21 3.336 -12.015 2.857 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.061 -11.420 1.519 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.856 -9.923 1.627 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.336 -10.698 1.016 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.819 -10.829 0.096 1.00 1.00 H new ATOM 341 N VAL A 22 5.146 -12.658 -0.512 1.00 1.00 N ATOM 342 CA VAL A 22 6.499 -12.394 -0.986 1.00 1.00 C ATOM 343 C VAL A 22 6.536 -11.107 -1.803 1.00 1.00 C ATOM 344 O VAL A 22 5.607 -10.810 -2.553 1.00 1.00 O ATOM 345 CB VAL A 22 6.989 -13.559 -1.844 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.848 -14.496 -0.993 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.785 -14.330 -2.391 1.00 1.00 C ATOM 0 H VAL A 22 4.417 -12.529 -1.214 1.00 1.00 H new ATOM 0 HA VAL A 22 7.152 -12.282 -0.121 1.00 1.00 H new ATOM 0 HB VAL A 22 7.583 -13.174 -2.673 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.197 -15.327 -1.606 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.705 -13.949 -0.602 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.254 -14.881 -0.164 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.133 -15.162 -3.004 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.191 -14.714 -1.561 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.172 -13.664 -2.998 1.00 1.00 H new ATOM 357 N VAL A 23 7.616 -10.346 -1.653 1.00 1.00 N ATOM 358 CA VAL A 23 7.761 -9.091 -2.385 1.00 1.00 C ATOM 359 C VAL A 23 7.556 -9.316 -3.879 1.00 1.00 C ATOM 360 O VAL A 23 7.214 -8.390 -4.615 1.00 1.00 O ATOM 361 CB VAL A 23 9.151 -8.503 -2.140 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.362 -7.294 -3.054 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.269 -8.063 -0.679 1.00 1.00 C ATOM 0 H VAL A 23 8.397 -10.573 -1.037 1.00 1.00 H new ATOM 0 HA VAL A 23 7.004 -8.393 -2.028 1.00 1.00 H new ATOM 0 HB VAL A 23 9.907 -9.258 -2.355 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.353 -6.875 -2.880 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.278 -7.606 -4.095 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.606 -6.539 -2.839 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.260 -7.644 -0.504 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.513 -7.308 -0.464 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.119 -8.923 -0.027 1.00 1.00 H new ATOM 373 N ASP A 24 7.769 -10.551 -4.322 1.00 1.00 N ATOM 374 CA ASP A 24 7.607 -10.886 -5.732 1.00 1.00 C ATOM 375 C ASP A 24 6.155 -10.701 -6.163 1.00 1.00 C ATOM 376 O ASP A 24 5.879 -10.110 -7.207 1.00 1.00 O ATOM 377 CB ASP A 24 8.032 -12.336 -5.976 1.00 1.00 C ATOM 378 CG ASP A 24 8.780 -12.442 -7.299 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.148 -12.278 -8.331 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.975 -12.690 -7.264 1.00 1.00 O ATOM 0 H ASP A 24 8.052 -11.331 -3.730 1.00 1.00 H new ATOM 0 HA ASP A 24 8.237 -10.218 -6.320 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.668 -12.680 -5.160 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.155 -12.983 -5.991 1.00 1.00 H new ATOM 385 N SER A 25 5.233 -11.212 -5.354 1.00 1.00 N ATOM 386 CA SER A 25 3.812 -11.099 -5.663 1.00 1.00 C ATOM 387 C SER A 25 3.341 -9.656 -5.504 1.00 1.00 C ATOM 388 O SER A 25 2.659 -9.115 -6.375 1.00 1.00 O ATOM 389 CB SER A 25 3.003 -12.006 -4.736 1.00 1.00 C ATOM 390 OG SER A 25 3.232 -13.362 -5.092 1.00 1.00 O ATOM 0 H SER A 25 5.442 -11.705 -4.486 1.00 1.00 H new ATOM 0 HA SER A 25 3.659 -11.407 -6.697 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.292 -11.836 -3.699 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.941 -11.771 -4.814 1.00 1.00 H new ATOM 0 HG SER A 25 2.716 -13.947 -4.499 1.00 1.00 H new ATOM 396 N ILE A 26 3.711 -9.038 -4.386 1.00 1.00 N ATOM 397 CA ILE A 26 3.319 -7.658 -4.123 1.00 1.00 C ATOM 398 C ILE A 26 3.668 -6.766 -5.311 1.00 1.00 C ATOM 399 O ILE A 26 3.020 -5.746 -5.544 1.00 1.00 O ATOM 400 CB ILE A 26 4.032 -7.144 -2.871 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.458 -7.847 -1.630 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.837 -5.630 -2.753 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.260 -7.063 -1.082 1.00 1.00 C ATOM 0 H ILE A 26 4.277 -9.467 -3.654 1.00 1.00 H new ATOM 0 HA ILE A 26 2.241 -7.629 -3.966 1.00 1.00 H new ATOM 0 HB ILE A 26 5.098 -7.360 -2.944 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.151 -8.861 -1.887 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.228 -7.932 -0.863 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.346 -5.266 -1.860 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.253 -5.140 -3.633 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.773 -5.405 -2.681 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.863 -7.572 -0.203 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.578 -6.058 -0.806 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.485 -7.001 -1.846 1.00 1.00 H new ATOM 415 N MET A 27 4.695 -7.158 -6.056 1.00 1.00 N ATOM 416 CA MET A 27 5.123 -6.387 -7.218 1.00 1.00 C ATOM 417 C MET A 27 4.150 -6.575 -8.376 1.00 1.00 C ATOM 418 O MET A 27 3.577 -5.611 -8.884 1.00 1.00 O ATOM 419 CB MET A 27 6.524 -6.824 -7.649 1.00 1.00 C ATOM 420 CG MET A 27 7.571 -6.127 -6.779 1.00 1.00 C ATOM 421 SD MET A 27 8.125 -4.611 -7.598 1.00 1.00 S ATOM 422 CE MET A 27 9.882 -4.766 -7.197 1.00 1.00 C ATOM 0 H MET A 27 5.244 -7.999 -5.878 1.00 1.00 H new ATOM 0 HA MET A 27 5.141 -5.333 -6.943 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.622 -7.906 -7.557 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.686 -6.577 -8.698 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.149 -5.892 -5.802 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.418 -6.791 -6.609 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.426 -3.919 -7.614 1.00 1.00 H new ATOM 0 HE2 MET A 27 10.008 -4.781 -6.114 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.272 -5.692 -7.621 1.00 1.00 H new ATOM 432 N THR A 28 3.971 -7.823 -8.792 1.00 1.00 N ATOM 433 CA THR A 28 3.067 -8.134 -9.892 1.00 1.00 C ATOM 434 C THR A 28 1.620 -7.841 -9.507 1.00 1.00 C ATOM 435 O THR A 28 0.770 -7.621 -10.370 1.00 1.00 O ATOM 436 CB THR A 28 3.206 -9.607 -10.280 1.00 1.00 C ATOM 437 OG1 THR A 28 4.571 -9.992 -10.190 1.00 1.00 O ATOM 438 CG2 THR A 28 2.711 -9.811 -11.712 1.00 1.00 C ATOM 0 H THR A 28 4.438 -8.634 -8.386 1.00 1.00 H new ATOM 0 HA THR A 28 3.334 -7.505 -10.741 1.00 1.00 H new ATOM 0 HB THR A 28 2.609 -10.218 -9.603 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.662 -10.936 -10.437 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.811 -10.861 -11.985 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.664 -9.517 -11.780 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.305 -9.201 -12.393 1.00 1.00 H new ATOM 446 N ALA A 29 1.343 -7.856 -8.208 1.00 1.00 N ATOM 447 CA ALA A 29 -0.009 -7.604 -7.720 1.00 1.00 C ATOM 448 C ALA A 29 -0.367 -6.123 -7.821 1.00 1.00 C ATOM 449 O ALA A 29 -1.525 -5.772 -8.041 1.00 1.00 O ATOM 450 CB ALA A 29 -0.128 -8.057 -6.264 1.00 1.00 C ATOM 0 H ALA A 29 2.031 -8.039 -7.478 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.702 -8.170 -8.342 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.139 -7.866 -5.905 1.00 1.00 H new ATOM 0 HB2 ALA A 29 0.086 -9.124 -6.196 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.584 -7.504 -5.652 1.00 1.00 H new ATOM 456 N LEU A 30 0.631 -5.261 -7.647 1.00 1.00 N ATOM 457 CA LEU A 30 0.404 -3.817 -7.711 1.00 1.00 C ATOM 458 C LEU A 30 0.897 -3.242 -9.038 1.00 1.00 C ATOM 459 O LEU A 30 0.941 -2.025 -9.217 1.00 1.00 O ATOM 460 CB LEU A 30 1.131 -3.124 -6.554 1.00 1.00 C ATOM 461 CG LEU A 30 0.392 -3.394 -5.238 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.244 -2.899 -4.068 1.00 1.00 C ATOM 463 CD2 LEU A 30 -0.960 -2.664 -5.221 1.00 1.00 C ATOM 0 H LEU A 30 1.597 -5.532 -7.462 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.668 -3.639 -7.633 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.156 -3.488 -6.487 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.185 -2.051 -6.737 1.00 1.00 H new ATOM 0 HG LEU A 30 0.217 -4.466 -5.147 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.721 -3.090 -3.131 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.198 -3.425 -4.065 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.421 -1.829 -4.174 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.471 -2.867 -4.280 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.795 -1.591 -5.321 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.574 -3.016 -6.050 1.00 1.00 H new ATOM 475 N SER A 31 1.279 -4.121 -9.959 1.00 1.00 N ATOM 476 CA SER A 31 1.779 -3.685 -11.259 1.00 1.00 C ATOM 477 C SER A 31 0.720 -2.906 -12.042 1.00 1.00 C ATOM 478 O SER A 31 0.985 -1.797 -12.505 1.00 1.00 O ATOM 479 CB SER A 31 2.244 -4.892 -12.076 1.00 1.00 C ATOM 480 OG SER A 31 3.654 -4.835 -12.236 1.00 1.00 O ATOM 0 H SER A 31 1.253 -5.133 -9.831 1.00 1.00 H new ATOM 0 HA SER A 31 2.622 -3.018 -11.080 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.961 -5.817 -11.574 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.756 -4.896 -13.050 1.00 1.00 H new ATOM 0 HG SER A 31 3.956 -5.608 -12.758 1.00 1.00 H new ATOM 486 N PRO A 32 -0.460 -3.453 -12.212 1.00 1.00 N ATOM 487 CA PRO A 32 -1.548 -2.772 -12.969 1.00 1.00 C ATOM 488 C PRO A 32 -2.249 -1.700 -12.141 1.00 1.00 C ATOM 489 O PRO A 32 -3.127 -0.995 -12.638 1.00 1.00 O ATOM 490 CB PRO A 32 -2.506 -3.909 -13.312 1.00 1.00 C ATOM 491 CG PRO A 32 -2.328 -4.918 -12.226 1.00 1.00 C ATOM 492 CD PRO A 32 -0.896 -4.769 -11.705 1.00 1.00 C ATOM 0 HA PRO A 32 -1.170 -2.243 -13.844 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.536 -3.555 -13.355 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.275 -4.337 -14.288 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.049 -4.753 -11.425 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.497 -5.926 -12.605 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.863 -4.807 -10.616 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.254 -5.570 -12.072 1.00 1.00 H new ATOM 500 N TYR A 33 -1.858 -1.586 -10.876 1.00 1.00 N ATOM 501 CA TYR A 33 -2.460 -0.599 -9.987 1.00 1.00 C ATOM 502 C TYR A 33 -1.528 0.594 -9.784 1.00 1.00 C ATOM 503 O TYR A 33 -1.982 1.709 -9.529 1.00 1.00 O ATOM 504 CB TYR A 33 -2.783 -1.242 -8.637 1.00 1.00 C ATOM 505 CG TYR A 33 -3.849 -2.293 -8.833 1.00 1.00 C ATOM 506 CD1 TYR A 33 -5.201 -1.934 -8.785 1.00 1.00 C ATOM 507 CD2 TYR A 33 -3.486 -3.623 -9.069 1.00 1.00 C ATOM 508 CE1 TYR A 33 -6.190 -2.907 -8.973 1.00 1.00 C ATOM 509 CE2 TYR A 33 -4.474 -4.596 -9.257 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.827 -4.237 -9.208 1.00 1.00 C ATOM 511 OH TYR A 33 -6.802 -5.196 -9.394 1.00 1.00 O ATOM 0 H TYR A 33 -1.133 -2.160 -10.446 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.381 -0.241 -10.447 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.886 -1.691 -8.210 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.127 -0.485 -7.932 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -5.481 -0.907 -8.603 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.443 -3.899 -9.106 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -7.233 -2.630 -8.937 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -4.194 -5.623 -9.440 1.00 1.00 H new ATOM 0 HH TYR A 33 -6.379 -6.067 -9.547 1.00 1.00 H new ATOM 521 N ALA A 34 -0.224 0.357 -9.903 1.00 1.00 N ATOM 522 CA ALA A 34 0.750 1.427 -9.732 1.00 1.00 C ATOM 523 C ALA A 34 2.169 0.894 -9.897 1.00 1.00 C ATOM 524 O ALA A 34 2.367 -0.289 -10.176 1.00 1.00 O ATOM 525 CB ALA A 34 0.598 2.057 -8.346 1.00 1.00 C ATOM 0 H ALA A 34 0.178 -0.556 -10.115 1.00 1.00 H new ATOM 0 HA ALA A 34 0.567 2.182 -10.496 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.330 2.856 -8.227 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.407 2.467 -8.241 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.762 1.298 -7.581 1.00 1.00 H new ATOM 531 N SER A 35 3.149 1.776 -9.723 1.00 1.00 N ATOM 532 CA SER A 35 4.552 1.394 -9.853 1.00 1.00 C ATOM 533 C SER A 35 5.286 1.621 -8.537 1.00 1.00 C ATOM 534 O SER A 35 5.235 2.712 -7.969 1.00 1.00 O ATOM 535 CB SER A 35 5.216 2.214 -10.958 1.00 1.00 C ATOM 536 OG SER A 35 4.451 3.386 -11.199 1.00 1.00 O ATOM 0 H SER A 35 2.998 2.758 -9.492 1.00 1.00 H new ATOM 0 HA SER A 35 4.602 0.336 -10.109 1.00 1.00 H new ATOM 0 HB2 SER A 35 6.231 2.483 -10.667 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.292 1.622 -11.870 1.00 1.00 H new ATOM 0 HG SER A 35 4.876 3.914 -11.906 1.00 1.00 H new ATOM 542 N LEU A 36 5.969 0.584 -8.062 1.00 1.00 N ATOM 543 CA LEU A 36 6.715 0.675 -6.812 1.00 1.00 C ATOM 544 C LEU A 36 8.214 0.684 -7.086 1.00 1.00 C ATOM 545 O LEU A 36 8.643 0.718 -8.240 1.00 1.00 O ATOM 546 CB LEU A 36 6.367 -0.502 -5.893 1.00 1.00 C ATOM 547 CG LEU A 36 5.528 -1.535 -6.652 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.414 -2.807 -5.814 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.126 -0.976 -6.906 1.00 1.00 C ATOM 0 H LEU A 36 6.021 -0.325 -8.521 1.00 1.00 H new ATOM 0 HA LEU A 36 6.438 1.606 -6.318 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.281 -0.966 -5.522 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.816 -0.144 -5.023 1.00 1.00 H new ATOM 0 HG LEU A 36 6.008 -1.759 -7.604 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.817 -3.544 -6.351 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.409 -3.211 -5.628 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.934 -2.575 -4.863 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.532 -1.714 -7.446 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.646 -0.751 -5.954 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.200 -0.065 -7.500 1.00 1.00 H new ATOM 561 N ALA A 37 9.005 0.657 -6.021 1.00 1.00 N ATOM 562 CA ALA A 37 10.456 0.666 -6.161 1.00 1.00 C ATOM 563 C ALA A 37 11.103 -0.183 -5.069 1.00 1.00 C ATOM 564 O ALA A 37 10.796 -0.033 -3.886 1.00 1.00 O ATOM 565 CB ALA A 37 10.977 2.105 -6.089 1.00 1.00 C ATOM 0 H ALA A 37 8.670 0.629 -5.058 1.00 1.00 H new ATOM 0 HA ALA A 37 10.717 0.240 -7.130 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.062 2.105 -6.194 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.534 2.693 -6.893 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.706 2.543 -5.128 1.00 1.00 H new ATOM 571 N VAL A 38 11.991 -1.086 -5.478 1.00 1.00 N ATOM 572 CA VAL A 38 12.669 -1.970 -4.536 1.00 1.00 C ATOM 573 C VAL A 38 13.236 -1.192 -3.347 1.00 1.00 C ATOM 574 O VAL A 38 13.191 -1.664 -2.211 1.00 1.00 O ATOM 575 CB VAL A 38 13.808 -2.705 -5.248 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.643 -3.470 -4.220 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.222 -3.689 -6.263 1.00 1.00 C ATOM 0 H VAL A 38 12.257 -1.224 -6.453 1.00 1.00 H new ATOM 0 HA VAL A 38 11.937 -2.685 -4.160 1.00 1.00 H new ATOM 0 HB VAL A 38 14.441 -1.983 -5.764 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.454 -3.993 -4.727 1.00 1.00 H new ATOM 0 HG12 VAL A 38 15.060 -2.770 -3.496 1.00 1.00 H new ATOM 0 HG13 VAL A 38 14.011 -4.193 -3.704 1.00 1.00 H new ATOM 0 HG21 VAL A 38 14.032 -4.213 -6.771 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.590 -4.411 -5.746 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.627 -3.144 -6.996 1.00 1.00 H new ATOM 587 N ASN A 39 13.783 -0.012 -3.616 1.00 1.00 N ATOM 588 CA ASN A 39 14.374 0.807 -2.559 1.00 1.00 C ATOM 589 C ASN A 39 13.313 1.606 -1.804 1.00 1.00 C ATOM 590 O ASN A 39 13.636 2.348 -0.877 1.00 1.00 O ATOM 591 CB ASN A 39 15.397 1.768 -3.165 1.00 1.00 C ATOM 592 CG ASN A 39 16.051 2.599 -2.067 1.00 1.00 C ATOM 593 OD1 ASN A 39 16.644 2.050 -1.139 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.983 3.902 -2.120 1.00 1.00 N ATOM 0 H ASN A 39 13.831 0.398 -4.549 1.00 1.00 H new ATOM 0 HA ASN A 39 14.861 0.137 -1.850 1.00 1.00 H new ATOM 0 HB2 ASN A 39 16.157 1.207 -3.708 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.909 2.424 -3.886 1.00 1.00 H new ATOM 0 HD21 ASN A 39 16.422 4.466 -1.392 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.491 4.356 -2.890 1.00 1.00 H new ATOM 601 N ASN A 40 12.053 1.457 -2.208 1.00 1.00 N ATOM 602 CA ASN A 40 10.957 2.183 -1.558 1.00 1.00 C ATOM 603 C ASN A 40 10.036 1.228 -0.798 1.00 1.00 C ATOM 604 O ASN A 40 9.052 1.661 -0.201 1.00 1.00 O ATOM 605 CB ASN A 40 10.142 2.948 -2.610 1.00 1.00 C ATOM 606 CG ASN A 40 9.822 4.370 -2.151 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.026 4.725 -0.991 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.320 5.211 -3.016 1.00 1.00 N ATOM 0 H ASN A 40 11.765 0.848 -2.974 1.00 1.00 H new ATOM 0 HA ASN A 40 11.392 2.884 -0.846 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.699 2.984 -3.546 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.214 2.413 -2.812 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.096 6.164 -2.730 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.152 4.914 -3.977 1.00 1.00 H new ATOM 615 N ILE A 41 10.355 -0.069 -0.821 1.00 1.00 N ATOM 616 CA ILE A 41 9.539 -1.060 -0.129 1.00 1.00 C ATOM 617 C ILE A 41 10.382 -1.851 0.865 1.00 1.00 C ATOM 618 O ILE A 41 11.517 -2.227 0.570 1.00 1.00 O ATOM 619 CB ILE A 41 8.900 -2.012 -1.140 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.983 -2.815 -1.863 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.102 -1.205 -2.165 1.00 1.00 C ATOM 622 CD1 ILE A 41 9.341 -3.657 -2.967 1.00 1.00 C ATOM 0 H ILE A 41 11.166 -0.451 -1.308 1.00 1.00 H new ATOM 0 HA ILE A 41 8.754 -0.538 0.418 1.00 1.00 H new ATOM 0 HB ILE A 41 8.238 -2.698 -0.612 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.726 -2.142 -2.290 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.506 -3.460 -1.156 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.646 -1.883 -2.886 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.322 -0.639 -1.655 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.768 -0.517 -2.685 1.00 1.00 H new ATOM 0 HD11 ILE A 41 10.112 -4.230 -3.483 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.614 -4.340 -2.527 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.839 -3.002 -3.679 1.00 1.00 H new ATOM 634 N ARG A 42 9.816 -2.098 2.043 1.00 1.00 N ATOM 635 CA ARG A 42 10.517 -2.847 3.080 1.00 1.00 C ATOM 636 C ARG A 42 9.617 -3.935 3.655 1.00 1.00 C ATOM 637 O ARG A 42 8.599 -3.647 4.284 1.00 1.00 O ATOM 638 CB ARG A 42 10.956 -1.901 4.201 1.00 1.00 C ATOM 639 CG ARG A 42 12.079 -2.554 5.011 1.00 1.00 C ATOM 640 CD ARG A 42 12.545 -1.592 6.105 1.00 1.00 C ATOM 641 NE ARG A 42 13.676 -0.801 5.633 1.00 1.00 N ATOM 642 CZ ARG A 42 14.910 -1.295 5.639 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.126 -2.506 6.073 1.00 1.00 N ATOM 644 NH2 ARG A 42 15.906 -0.568 5.209 1.00 1.00 N ATOM 0 H ARG A 42 8.878 -1.792 2.302 1.00 1.00 H new ATOM 0 HA ARG A 42 11.395 -3.315 2.634 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.299 -0.956 3.780 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.111 -1.672 4.850 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.727 -3.485 5.456 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.913 -2.809 4.357 1.00 1.00 H new ATOM 0 HD2 ARG A 42 11.726 -0.933 6.393 1.00 1.00 H new ATOM 0 HD3 ARG A 42 12.830 -2.153 6.995 1.00 1.00 H new ATOM 0 HE ARG A 42 13.517 0.147 5.293 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.348 -3.074 6.408 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.073 -2.885 6.077 1.00 1.00 H new ATOM 0 HH21 ARG A 42 15.737 0.379 4.869 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.853 -0.947 5.213 1.00 1.00 H new ATOM 658 N LEU A 43 10.002 -5.188 3.433 1.00 1.00 N ATOM 659 CA LEU A 43 9.226 -6.318 3.931 1.00 1.00 C ATOM 660 C LEU A 43 9.877 -6.886 5.190 1.00 1.00 C ATOM 661 O LEU A 43 10.854 -7.630 5.115 1.00 1.00 O ATOM 662 CB LEU A 43 9.153 -7.406 2.849 1.00 1.00 C ATOM 663 CG LEU A 43 7.695 -7.764 2.539 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.009 -8.276 3.804 1.00 1.00 C ATOM 665 CD2 LEU A 43 6.951 -6.532 2.018 1.00 1.00 C ATOM 0 H LEU A 43 10.842 -5.445 2.915 1.00 1.00 H new ATOM 0 HA LEU A 43 8.219 -5.980 4.176 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.648 -7.058 1.942 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.688 -8.295 3.183 1.00 1.00 H new ATOM 0 HG LEU A 43 7.677 -8.542 1.776 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.973 -8.529 3.579 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.529 -9.163 4.166 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.035 -7.502 4.571 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.916 -6.797 1.801 1.00 1.00 H new ATOM 0 HD22 LEU A 43 6.974 -5.747 2.774 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.433 -6.174 1.108 1.00 1.00 H new ATOM 677 N ILE A 44 9.327 -6.525 6.345 1.00 1.00 N ATOM 678 CA ILE A 44 9.866 -7.003 7.614 1.00 1.00 C ATOM 679 C ILE A 44 9.763 -8.522 7.692 1.00 1.00 C ATOM 680 O ILE A 44 8.689 -9.065 7.939 1.00 1.00 O ATOM 681 CB ILE A 44 9.097 -6.376 8.779 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.672 -6.885 10.104 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.620 -6.764 8.685 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.467 -5.828 11.189 1.00 1.00 C ATOM 0 H ILE A 44 8.518 -5.910 6.429 1.00 1.00 H new ATOM 0 HA ILE A 44 10.915 -6.714 7.678 1.00 1.00 H new ATOM 0 HB ILE A 44 9.192 -5.291 8.733 1.00 1.00 H new ATOM 0 HG12 ILE A 44 9.183 -7.816 10.391 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.734 -7.105 9.991 1.00 1.00 H new ATOM 0 HG21 ILE A 44 7.073 -6.317 9.515 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.208 -6.403 7.743 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.525 -7.849 8.730 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.876 -6.190 12.132 1.00 1.00 H new ATOM 0 HD12 ILE A 44 9.977 -4.908 10.902 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.402 -5.631 11.308 1.00 1.00 H new ATOM 696 N LYS A 45 10.886 -9.200 7.480 1.00 1.00 N ATOM 697 CA LYS A 45 10.904 -10.660 7.526 1.00 1.00 C ATOM 698 C LYS A 45 11.209 -11.147 8.939 1.00 1.00 C ATOM 699 O LYS A 45 11.952 -10.505 9.680 1.00 1.00 O ATOM 700 CB LYS A 45 11.953 -11.209 6.549 1.00 1.00 C ATOM 701 CG LYS A 45 11.370 -12.395 5.776 1.00 1.00 C ATOM 702 CD LYS A 45 12.406 -12.906 4.774 1.00 1.00 C ATOM 703 CE LYS A 45 12.125 -12.301 3.395 1.00 1.00 C ATOM 704 NZ LYS A 45 13.354 -12.384 2.556 1.00 1.00 N ATOM 0 H LYS A 45 11.788 -8.769 7.277 1.00 1.00 H new ATOM 0 HA LYS A 45 9.919 -11.025 7.234 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.262 -10.427 5.855 1.00 1.00 H new ATOM 0 HB3 LYS A 45 12.844 -11.521 7.095 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.091 -13.191 6.466 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.462 -12.093 5.255 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.410 -12.637 5.103 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.369 -13.994 4.720 1.00 1.00 H new ATOM 0 HE2 LYS A 45 11.306 -12.834 2.912 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.812 -11.262 3.499 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.164 -11.973 1.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.124 -11.857 3.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.633 -13.380 2.447 1.00 1.00 H new ATOM 718 N ASP A 46 10.624 -12.286 9.302 1.00 1.00 N ATOM 719 CA ASP A 46 10.829 -12.858 10.630 1.00 1.00 C ATOM 720 C ASP A 46 11.671 -14.126 10.545 1.00 1.00 C ATOM 721 O ASP A 46 11.736 -14.771 9.500 1.00 1.00 O ATOM 722 CB ASP A 46 9.478 -13.185 11.270 1.00 1.00 C ATOM 723 CG ASP A 46 9.463 -12.723 12.723 1.00 1.00 C ATOM 724 OD1 ASP A 46 9.549 -11.526 12.944 1.00 1.00 O ATOM 725 OD2 ASP A 46 9.365 -13.573 13.592 1.00 1.00 O ATOM 0 H ASP A 46 10.007 -12.829 8.698 1.00 1.00 H new ATOM 0 HA ASP A 46 11.356 -12.126 11.242 1.00 1.00 H new ATOM 0 HB2 ASP A 46 8.676 -12.696 10.716 1.00 1.00 H new ATOM 0 HB3 ASP A 46 9.293 -14.258 11.219 1.00 1.00 H new ATOM 730 N LYS A 47 12.313 -14.478 11.655 1.00 1.00 N ATOM 731 CA LYS A 47 13.147 -15.674 11.697 1.00 1.00 C ATOM 732 C LYS A 47 12.330 -16.885 12.137 1.00 1.00 C ATOM 733 O LYS A 47 12.791 -18.023 12.047 1.00 1.00 O ATOM 734 CB LYS A 47 14.314 -15.465 12.665 1.00 1.00 C ATOM 735 CG LYS A 47 15.406 -14.641 11.977 1.00 1.00 C ATOM 736 CD LYS A 47 14.789 -13.374 11.381 1.00 1.00 C ATOM 737 CE LYS A 47 15.896 -12.376 11.045 1.00 1.00 C ATOM 738 NZ LYS A 47 16.405 -11.757 12.303 1.00 1.00 N ATOM 0 H LYS A 47 12.272 -13.957 12.531 1.00 1.00 H new ATOM 0 HA LYS A 47 13.534 -15.857 10.695 1.00 1.00 H new ATOM 0 HB2 LYS A 47 13.968 -14.953 13.563 1.00 1.00 H new ATOM 0 HB3 LYS A 47 14.715 -16.428 12.981 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.184 -14.377 12.694 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.882 -15.230 11.193 1.00 1.00 H new ATOM 0 HD2 LYS A 47 14.223 -13.621 10.483 1.00 1.00 H new ATOM 0 HD3 LYS A 47 14.088 -12.931 12.088 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.708 -12.880 10.520 1.00 1.00 H new ATOM 0 HE3 LYS A 47 15.514 -11.605 10.376 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 16.877 -10.857 12.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 15.610 -11.580 12.949 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.084 -12.401 12.757 1.00 1.00 H new ATOM 752 N GLN A 48 11.118 -16.632 12.620 1.00 1.00 N ATOM 753 CA GLN A 48 10.248 -17.712 13.076 1.00 1.00 C ATOM 754 C GLN A 48 9.702 -18.504 11.893 1.00 1.00 C ATOM 755 O GLN A 48 9.901 -19.716 11.803 1.00 1.00 O ATOM 756 CB GLN A 48 9.084 -17.137 13.887 1.00 1.00 C ATOM 757 CG GLN A 48 9.370 -17.304 15.380 1.00 1.00 C ATOM 758 CD GLN A 48 8.254 -16.667 16.200 1.00 1.00 C ATOM 759 OE1 GLN A 48 7.274 -17.330 16.536 1.00 1.00 O ATOM 760 NE2 GLN A 48 8.346 -15.411 16.544 1.00 1.00 N ATOM 0 H GLN A 48 10.718 -15.698 12.706 1.00 1.00 H new ATOM 0 HA GLN A 48 10.835 -18.382 13.704 1.00 1.00 H new ATOM 0 HB2 GLN A 48 8.947 -16.082 13.648 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.157 -17.647 13.624 1.00 1.00 H new ATOM 0 HG2 GLN A 48 9.454 -18.362 15.626 1.00 1.00 H new ATOM 0 HG3 GLN A 48 10.325 -16.842 15.630 1.00 1.00 H new ATOM 0 HE21 GLN A 48 9.160 -14.864 16.264 1.00 1.00 H new ATOM 0 HE22 GLN A 48 7.604 -14.977 17.093 1.00 1.00 H new ATOM 769 N THR A 49 9.016 -17.813 10.989 1.00 1.00 N ATOM 770 CA THR A 49 8.444 -18.460 9.811 1.00 1.00 C ATOM 771 C THR A 49 9.229 -18.079 8.561 1.00 1.00 C ATOM 772 O THR A 49 8.748 -18.244 7.439 1.00 1.00 O ATOM 773 CB THR A 49 6.980 -18.047 9.643 1.00 1.00 C ATOM 774 OG1 THR A 49 6.633 -17.118 10.661 1.00 1.00 O ATOM 775 CG2 THR A 49 6.085 -19.281 9.748 1.00 1.00 C ATOM 0 H THR A 49 8.842 -16.810 11.048 1.00 1.00 H new ATOM 0 HA THR A 49 8.500 -19.540 9.949 1.00 1.00 H new ATOM 0 HB THR A 49 6.842 -17.584 8.666 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.696 -16.851 10.554 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.043 -18.986 9.628 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.353 -19.992 8.967 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.220 -19.747 10.724 1.00 1.00 H new ATOM 783 N GLN A 50 10.438 -17.565 8.762 1.00 1.00 N ATOM 784 CA GLN A 50 11.279 -17.160 7.643 1.00 1.00 C ATOM 785 C GLN A 50 10.467 -16.343 6.647 1.00 1.00 C ATOM 786 O GLN A 50 10.756 -16.336 5.450 1.00 1.00 O ATOM 787 CB GLN A 50 11.855 -18.395 6.947 1.00 1.00 C ATOM 788 CG GLN A 50 13.342 -18.179 6.667 1.00 1.00 C ATOM 789 CD GLN A 50 14.136 -18.275 7.965 1.00 1.00 C ATOM 790 OE1 GLN A 50 13.511 -18.199 9.109 1.00 1.00 O flip ATOM 791 NE2 GLN A 50 15.358 -18.422 7.937 1.00 1.00 N flip ATOM 0 H GLN A 50 10.854 -17.420 9.682 1.00 1.00 H new ATOM 0 HA GLN A 50 12.097 -16.548 8.023 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.717 -19.276 7.574 1.00 1.00 H new ATOM 0 HB3 GLN A 50 11.322 -18.581 6.014 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.699 -18.925 5.957 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.496 -17.202 6.208 1.00 1.00 H new ATOM 0 HE21 GLN A 50 15.844 -18.481 7.042 1.00 1.00 H new ATOM 0 HE22 GLN A 50 15.884 -18.485 8.809 1.00 1.00 H new ATOM 800 N GLN A 51 9.448 -15.657 7.153 1.00 1.00 N ATOM 801 CA GLN A 51 8.587 -14.839 6.305 1.00 1.00 C ATOM 802 C GLN A 51 7.920 -13.737 7.125 1.00 1.00 C ATOM 803 O GLN A 51 7.927 -13.771 8.355 1.00 1.00 O ATOM 804 CB GLN A 51 7.507 -15.712 5.653 1.00 1.00 C ATOM 805 CG GLN A 51 8.147 -16.683 4.656 1.00 1.00 C ATOM 806 CD GLN A 51 7.076 -17.276 3.746 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.622 -16.617 2.810 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.648 -18.490 3.962 1.00 1.00 N ATOM 0 H GLN A 51 9.198 -15.650 8.142 1.00 1.00 H new ATOM 0 HA GLN A 51 9.203 -14.383 5.530 1.00 1.00 H new ATOM 0 HB2 GLN A 51 6.967 -16.268 6.419 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.778 -15.082 5.143 1.00 1.00 H new ATOM 0 HG2 GLN A 51 8.896 -16.163 4.059 1.00 1.00 H new ATOM 0 HG3 GLN A 51 8.663 -17.480 5.192 1.00 1.00 H new ATOM 0 HE21 GLN A 51 7.026 -19.033 4.738 1.00 1.00 H new ATOM 0 HE22 GLN A 51 5.936 -18.895 3.355 1.00 1.00 H new ATOM 817 N ASN A 52 7.344 -12.764 6.429 1.00 1.00 N ATOM 818 CA ASN A 52 6.671 -11.650 7.088 1.00 1.00 C ATOM 819 C ASN A 52 5.817 -12.139 8.258 1.00 1.00 C ATOM 820 O ASN A 52 5.169 -13.181 8.173 1.00 1.00 O ATOM 821 CB ASN A 52 5.791 -10.917 6.075 1.00 1.00 C ATOM 822 CG ASN A 52 5.343 -11.887 4.989 1.00 1.00 C ATOM 823 OD1 ASN A 52 5.442 -11.583 3.800 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.847 -13.044 5.329 1.00 1.00 N ATOM 0 H ASN A 52 7.329 -12.723 5.410 1.00 1.00 H new ATOM 0 HA ASN A 52 7.428 -10.971 7.480 1.00 1.00 H new ATOM 0 HB2 ASN A 52 4.922 -10.489 6.575 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.343 -10.088 5.631 1.00 1.00 H new ATOM 0 HD21 ASN A 52 4.540 -13.699 4.609 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.766 -13.294 6.314 1.00 1.00 H new ATOM 831 N ARG A 53 5.822 -11.374 9.349 1.00 1.00 N ATOM 832 CA ARG A 53 5.047 -11.733 10.531 1.00 1.00 C ATOM 833 C ARG A 53 3.621 -11.201 10.413 1.00 1.00 C ATOM 834 O ARG A 53 3.018 -10.789 11.404 1.00 1.00 O ATOM 835 CB ARG A 53 5.712 -11.149 11.783 1.00 1.00 C ATOM 836 CG ARG A 53 5.374 -12.009 13.005 1.00 1.00 C ATOM 837 CD ARG A 53 6.034 -11.411 14.248 1.00 1.00 C ATOM 838 NE ARG A 53 5.035 -10.751 15.081 1.00 1.00 N ATOM 839 CZ ARG A 53 4.212 -11.453 15.853 1.00 1.00 C ATOM 840 NH1 ARG A 53 4.290 -12.755 15.875 1.00 1.00 N ATOM 841 NH2 ARG A 53 3.327 -10.840 16.589 1.00 1.00 N ATOM 0 H ARG A 53 6.352 -10.507 9.437 1.00 1.00 H new ATOM 0 HA ARG A 53 5.012 -12.820 10.610 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.792 -11.107 11.645 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.371 -10.126 11.942 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.294 -12.057 13.141 1.00 1.00 H new ATOM 0 HG3 ARG A 53 5.722 -13.031 12.851 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.532 -12.196 14.817 1.00 1.00 H new ATOM 0 HD3 ARG A 53 6.802 -10.696 13.953 1.00 1.00 H new ATOM 0 HE ARG A 53 4.967 -9.733 15.071 1.00 1.00 H new ATOM 0 HH11 ARG A 53 4.983 -13.234 15.300 1.00 1.00 H new ATOM 0 HH12 ARG A 53 3.658 -13.294 16.468 1.00 1.00 H new ATOM 0 HH21 ARG A 53 3.267 -9.822 16.572 1.00 1.00 H new ATOM 0 HH22 ARG A 53 2.695 -11.379 17.182 1.00 1.00 H new ATOM 855 N GLY A 54 3.086 -11.216 9.194 1.00 1.00 N ATOM 856 CA GLY A 54 1.731 -10.734 8.960 1.00 1.00 C ATOM 857 C GLY A 54 1.701 -9.214 8.818 1.00 1.00 C ATOM 858 O GLY A 54 0.765 -8.559 9.275 1.00 1.00 O ATOM 0 H GLY A 54 3.567 -11.554 8.361 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.330 -11.194 8.057 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.087 -11.037 9.785 1.00 1.00 H new ATOM 862 N PHE A 55 2.727 -8.657 8.178 1.00 1.00 N ATOM 863 CA PHE A 55 2.797 -7.209 7.986 1.00 1.00 C ATOM 864 C PHE A 55 3.738 -6.857 6.837 1.00 1.00 C ATOM 865 O PHE A 55 4.592 -7.655 6.453 1.00 1.00 O ATOM 866 CB PHE A 55 3.290 -6.528 9.266 1.00 1.00 C ATOM 867 CG PHE A 55 2.204 -5.635 9.812 1.00 1.00 C ATOM 868 CD1 PHE A 55 2.110 -4.302 9.392 1.00 1.00 C ATOM 869 CD2 PHE A 55 1.292 -6.141 10.744 1.00 1.00 C ATOM 870 CE1 PHE A 55 1.101 -3.476 9.904 1.00 1.00 C ATOM 871 CE2 PHE A 55 0.283 -5.315 11.257 1.00 1.00 C ATOM 872 CZ PHE A 55 0.188 -3.983 10.837 1.00 1.00 C ATOM 0 H PHE A 55 3.512 -9.178 7.788 1.00 1.00 H new ATOM 0 HA PHE A 55 1.795 -6.855 7.745 1.00 1.00 H new ATOM 0 HB2 PHE A 55 3.565 -7.279 10.007 1.00 1.00 H new ATOM 0 HB3 PHE A 55 4.186 -5.943 9.057 1.00 1.00 H new ATOM 0 HD1 PHE A 55 2.815 -3.911 8.674 1.00 1.00 H new ATOM 0 HD2 PHE A 55 1.365 -7.169 11.068 1.00 1.00 H new ATOM 0 HE1 PHE A 55 1.027 -2.449 9.579 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -0.421 -5.706 11.976 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.590 -3.346 11.233 1.00 1.00 H new ATOM 882 N ALA A 56 3.570 -5.655 6.297 1.00 1.00 N ATOM 883 CA ALA A 56 4.408 -5.196 5.189 1.00 1.00 C ATOM 884 C ALA A 56 4.410 -3.672 5.114 1.00 1.00 C ATOM 885 O ALA A 56 3.447 -3.021 5.524 1.00 1.00 O ATOM 886 CB ALA A 56 3.892 -5.770 3.870 1.00 1.00 C ATOM 0 H ALA A 56 2.867 -4.983 6.604 1.00 1.00 H new ATOM 0 HA ALA A 56 5.427 -5.543 5.363 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.522 -5.423 3.051 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.919 -6.859 3.912 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.867 -5.438 3.705 1.00 1.00 H new ATOM 892 N PHE A 57 5.494 -3.113 4.585 1.00 1.00 N ATOM 893 CA PHE A 57 5.618 -1.662 4.451 1.00 1.00 C ATOM 894 C PHE A 57 5.906 -1.286 3.001 1.00 1.00 C ATOM 895 O PHE A 57 6.806 -1.842 2.373 1.00 1.00 O ATOM 896 CB PHE A 57 6.749 -1.149 5.347 1.00 1.00 C ATOM 897 CG PHE A 57 6.171 -0.594 6.626 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.930 -1.444 7.712 1.00 1.00 C ATOM 899 CD2 PHE A 57 5.876 0.770 6.727 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.394 -0.929 8.899 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.341 1.286 7.913 1.00 1.00 C ATOM 902 CZ PHE A 57 5.100 0.436 8.999 1.00 1.00 C ATOM 0 H PHE A 57 6.298 -3.639 4.243 1.00 1.00 H new ATOM 0 HA PHE A 57 4.678 -1.204 4.757 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.444 -1.958 5.571 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.316 -0.377 4.827 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.157 -2.497 7.634 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.061 1.425 5.889 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.208 -1.585 9.737 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.114 2.339 7.990 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.687 0.834 9.914 1.00 1.00 H new ATOM 912 N VAL A 58 5.133 -0.342 2.472 1.00 1.00 N ATOM 913 CA VAL A 58 5.313 0.097 1.092 1.00 1.00 C ATOM 914 C VAL A 58 5.180 1.614 0.987 1.00 1.00 C ATOM 915 O VAL A 58 4.312 2.213 1.622 1.00 1.00 O ATOM 916 CB VAL A 58 4.270 -0.567 0.187 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.965 -1.226 -1.006 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.500 -1.630 0.975 1.00 1.00 C ATOM 0 H VAL A 58 4.381 0.131 2.974 1.00 1.00 H new ATOM 0 HA VAL A 58 6.313 -0.194 0.771 1.00 1.00 H new ATOM 0 HB VAL A 58 3.575 0.193 -0.171 1.00 1.00 H new ATOM 0 HG11 VAL A 58 4.220 -1.697 -1.647 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.507 -0.470 -1.575 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.665 -1.981 -0.648 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.760 -2.099 0.326 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.194 -2.387 1.339 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.997 -1.162 1.821 1.00 1.00 H new ATOM 928 N GLN A 59 6.044 2.225 0.177 1.00 1.00 N ATOM 929 CA GLN A 59 6.017 3.672 -0.014 1.00 1.00 C ATOM 930 C GLN A 59 5.870 4.003 -1.495 1.00 1.00 C ATOM 931 O GLN A 59 6.279 3.222 -2.354 1.00 1.00 O ATOM 932 CB GLN A 59 7.303 4.293 0.531 1.00 1.00 C ATOM 933 CG GLN A 59 7.329 5.790 0.211 1.00 1.00 C ATOM 934 CD GLN A 59 8.435 6.471 1.010 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.474 6.363 2.236 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.345 7.167 0.385 1.00 1.00 N ATOM 0 H GLN A 59 6.768 1.742 -0.355 1.00 1.00 H new ATOM 0 HA GLN A 59 5.164 4.083 0.527 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.364 4.141 1.609 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.171 3.802 0.090 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.494 5.940 -0.856 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.365 6.239 0.451 1.00 1.00 H new ATOM 0 HE21 GLN A 59 9.311 7.255 -0.631 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.090 7.623 0.912 1.00 1.00 H new ATOM 945 N LEU A 60 5.282 5.160 -1.787 1.00 1.00 N ATOM 946 CA LEU A 60 5.084 5.577 -3.174 1.00 1.00 C ATOM 947 C LEU A 60 6.058 6.700 -3.524 1.00 1.00 C ATOM 948 O LEU A 60 6.661 7.309 -2.640 1.00 1.00 O ATOM 949 CB LEU A 60 3.640 6.065 -3.386 1.00 1.00 C ATOM 950 CG LEU A 60 2.695 4.897 -3.728 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.094 4.258 -5.062 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.738 3.832 -2.629 1.00 1.00 C ATOM 0 H LEU A 60 4.937 5.820 -1.090 1.00 1.00 H new ATOM 0 HA LEU A 60 5.268 4.721 -3.823 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.288 6.567 -2.485 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.617 6.800 -4.190 1.00 1.00 H new ATOM 0 HG LEU A 60 1.683 5.295 -3.805 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.416 3.435 -5.288 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.036 5.004 -5.855 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.114 3.880 -4.994 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.064 3.015 -2.888 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.754 3.449 -2.534 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.426 4.273 -1.682 1.00 1.00 H new ATOM 964 N SER A 61 6.212 6.966 -4.818 1.00 1.00 N ATOM 965 CA SER A 61 7.123 8.014 -5.271 1.00 1.00 C ATOM 966 C SER A 61 6.668 9.386 -4.783 1.00 1.00 C ATOM 967 O SER A 61 7.490 10.236 -4.442 1.00 1.00 O ATOM 968 CB SER A 61 7.202 8.013 -6.797 1.00 1.00 C ATOM 969 OG SER A 61 6.296 7.047 -7.314 1.00 1.00 O ATOM 0 H SER A 61 5.723 6.475 -5.566 1.00 1.00 H new ATOM 0 HA SER A 61 8.109 7.809 -4.853 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.958 9.002 -7.186 1.00 1.00 H new ATOM 0 HB3 SER A 61 8.218 7.785 -7.120 1.00 1.00 H new ATOM 0 HG SER A 61 6.343 7.045 -8.293 1.00 1.00 H new ATOM 975 N SER A 62 5.356 9.591 -4.760 1.00 1.00 N ATOM 976 CA SER A 62 4.790 10.862 -4.319 1.00 1.00 C ATOM 977 C SER A 62 3.905 10.658 -3.092 1.00 1.00 C ATOM 978 O SER A 62 3.695 9.529 -2.648 1.00 1.00 O ATOM 979 CB SER A 62 3.967 11.484 -5.447 1.00 1.00 C ATOM 980 OG SER A 62 4.802 11.692 -6.577 1.00 1.00 O ATOM 0 H SER A 62 4.665 8.895 -5.041 1.00 1.00 H new ATOM 0 HA SER A 62 5.608 11.532 -4.054 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.136 10.830 -5.710 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.536 12.430 -5.119 1.00 1.00 H new ATOM 0 HG SER A 62 4.277 12.089 -7.303 1.00 1.00 H new ATOM 986 N ALA A 63 3.393 11.757 -2.547 1.00 1.00 N ATOM 987 CA ALA A 63 2.536 11.685 -1.369 1.00 1.00 C ATOM 988 C ALA A 63 1.083 11.447 -1.771 1.00 1.00 C ATOM 989 O ALA A 63 0.315 10.845 -1.021 1.00 1.00 O ATOM 990 CB ALA A 63 2.640 12.983 -0.568 1.00 1.00 C ATOM 0 H ALA A 63 3.555 12.701 -2.899 1.00 1.00 H new ATOM 0 HA ALA A 63 2.870 10.850 -0.753 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.997 12.921 0.310 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.672 13.134 -0.252 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.325 13.821 -1.190 1.00 1.00 H new ATOM 996 N MET A 64 0.714 11.922 -2.954 1.00 1.00 N ATOM 997 CA MET A 64 -0.652 11.754 -3.441 1.00 1.00 C ATOM 998 C MET A 64 -0.880 10.323 -3.912 1.00 1.00 C ATOM 999 O MET A 64 -1.895 9.707 -3.589 1.00 1.00 O ATOM 1000 CB MET A 64 -0.920 12.722 -4.594 1.00 1.00 C ATOM 1001 CG MET A 64 -0.129 14.011 -4.374 1.00 1.00 C ATOM 1002 SD MET A 64 -0.701 15.276 -5.536 1.00 1.00 S ATOM 1003 CE MET A 64 0.781 15.318 -6.573 1.00 1.00 C ATOM 0 H MET A 64 1.334 12.423 -3.590 1.00 1.00 H new ATOM 0 HA MET A 64 -1.338 11.969 -2.622 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.633 12.264 -5.541 1.00 1.00 H new ATOM 0 HB3 MET A 64 -1.985 12.943 -4.657 1.00 1.00 H new ATOM 0 HG2 MET A 64 -0.258 14.359 -3.349 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.936 13.826 -4.517 1.00 1.00 H new ATOM 0 HE1 MET A 64 0.646 16.047 -7.372 1.00 1.00 H new ATOM 0 HE2 MET A 64 1.642 15.600 -5.966 1.00 1.00 H new ATOM 0 HE3 MET A 64 0.950 14.332 -7.006 1.00 1.00 H new ATOM 1013 N ASP A 65 0.070 9.799 -4.680 1.00 1.00 N ATOM 1014 CA ASP A 65 -0.040 8.437 -5.193 1.00 1.00 C ATOM 1015 C ASP A 65 -0.429 7.474 -4.077 1.00 1.00 C ATOM 1016 O ASP A 65 -1.154 6.505 -4.306 1.00 1.00 O ATOM 1017 CB ASP A 65 1.291 8.001 -5.807 1.00 1.00 C ATOM 1018 CG ASP A 65 1.130 7.807 -7.310 1.00 1.00 C ATOM 1019 OD1 ASP A 65 0.485 8.638 -7.929 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.650 6.828 -7.820 1.00 1.00 O ATOM 0 H ASP A 65 0.918 10.292 -4.959 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.815 8.419 -5.959 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.056 8.751 -5.608 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.628 7.073 -5.346 1.00 1.00 H new ATOM 1025 N ALA A 66 0.056 7.746 -2.870 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.247 6.893 -1.726 1.00 1.00 C ATOM 1027 C ALA A 66 -1.753 6.821 -1.496 1.00 1.00 C ATOM 1028 O ALA A 66 -2.341 5.741 -1.512 1.00 1.00 O ATOM 1029 CB ALA A 66 0.438 7.436 -0.471 1.00 1.00 C ATOM 0 H ALA A 66 0.656 8.544 -2.659 1.00 1.00 H new ATOM 0 HA ALA A 66 0.126 5.891 -1.936 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.206 6.792 0.378 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.517 7.457 -0.626 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.080 8.446 -0.269 1.00 1.00 H new ATOM 1035 N SER A 67 -2.371 7.978 -1.283 1.00 1.00 N ATOM 1036 CA SER A 67 -3.810 8.029 -1.053 1.00 1.00 C ATOM 1037 C SER A 67 -4.558 7.465 -2.255 1.00 1.00 C ATOM 1038 O SER A 67 -5.562 6.768 -2.105 1.00 1.00 O ATOM 1039 CB SER A 67 -4.249 9.472 -0.806 1.00 1.00 C ATOM 1040 OG SER A 67 -3.272 10.132 -0.012 1.00 1.00 O ATOM 0 H SER A 67 -1.904 8.884 -1.265 1.00 1.00 H new ATOM 0 HA SER A 67 -4.043 7.426 -0.175 1.00 1.00 H new ATOM 0 HB2 SER A 67 -4.375 9.993 -1.755 1.00 1.00 H new ATOM 0 HB3 SER A 67 -5.215 9.489 -0.302 1.00 1.00 H new ATOM 0 HG SER A 67 -3.550 11.058 0.146 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.060 7.772 -3.448 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.681 7.296 -4.672 1.00 1.00 C ATOM 1048 C GLN A 68 -4.685 5.772 -4.716 1.00 1.00 C ATOM 1049 O GLN A 68 -5.736 5.146 -4.846 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.916 7.837 -5.879 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.857 8.648 -6.771 1.00 1.00 C ATOM 1052 CD GLN A 68 -4.162 8.991 -8.085 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.384 9.943 -8.147 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -4.396 8.265 -9.143 1.00 1.00 N ATOM 0 H GLN A 68 -3.230 8.347 -3.590 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.712 7.650 -4.698 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.088 8.463 -5.545 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.484 7.012 -6.446 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.765 8.079 -6.968 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -5.158 9.562 -6.260 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.041 7.477 -9.088 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -3.934 8.485 -10.025 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.499 5.180 -4.607 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.376 3.726 -4.636 1.00 1.00 C ATOM 1065 C LEU A 69 -4.226 3.100 -3.535 1.00 1.00 C ATOM 1066 O LEU A 69 -4.694 1.969 -3.662 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.912 3.316 -4.449 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.589 2.114 -5.341 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.123 1.721 -5.154 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.481 0.934 -4.952 1.00 1.00 C ATOM 0 H LEU A 69 -2.616 5.680 -4.499 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.728 3.369 -5.604 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.257 4.151 -4.698 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.726 3.065 -3.405 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.768 2.379 -6.383 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.108 0.865 -5.789 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.516 2.560 -5.429 1.00 1.00 H new ATOM 0 HD13 LEU A 69 0.053 1.457 -4.111 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.251 0.079 -5.587 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.302 0.670 -3.910 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.527 1.211 -5.081 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.419 3.844 -2.454 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.211 3.351 -1.333 1.00 1.00 C ATOM 1084 C LEU A 70 -6.700 3.386 -1.671 1.00 1.00 C ATOM 1085 O LEU A 70 -7.452 2.489 -1.292 1.00 1.00 O ATOM 1086 CB LEU A 70 -4.946 4.208 -0.091 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.414 3.469 1.167 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.196 2.974 1.950 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.224 4.426 2.046 1.00 1.00 C ATOM 0 H LEU A 70 -4.042 4.783 -2.329 1.00 1.00 H new ATOM 0 HA LEU A 70 -4.921 2.320 -1.132 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -3.882 4.434 -0.015 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.469 5.161 -0.178 1.00 1.00 H new ATOM 0 HG LEU A 70 -6.034 2.620 0.880 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.528 2.448 2.845 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.613 2.296 1.326 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.578 3.825 2.237 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.558 3.903 2.942 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -5.601 5.273 2.332 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -7.091 4.785 1.491 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.118 4.430 -2.381 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.516 4.574 -2.761 1.00 1.00 C ATOM 1103 C GLN A 71 -8.823 3.760 -4.014 1.00 1.00 C ATOM 1104 O GLN A 71 -9.945 3.286 -4.200 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.832 6.050 -3.008 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.251 6.185 -3.559 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.936 7.398 -2.939 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.923 7.253 -2.217 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.469 8.594 -3.175 1.00 1.00 N ATOM 0 H GLN A 71 -6.511 5.184 -2.702 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.138 4.200 -1.948 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.736 6.613 -2.080 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.116 6.473 -3.712 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.221 6.289 -4.644 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.822 5.283 -3.341 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.651 8.713 -3.773 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.922 9.409 -2.761 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.822 3.603 -4.875 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.001 2.847 -6.110 1.00 1.00 C ATOM 1120 C ILE A 72 -8.190 1.364 -5.807 1.00 1.00 C ATOM 1121 O ILE A 72 -9.037 0.703 -6.406 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.787 3.040 -7.021 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.938 4.348 -7.799 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.690 1.873 -8.004 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.608 4.704 -8.467 1.00 1.00 C ATOM 0 H ILE A 72 -6.886 3.986 -4.742 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.893 3.216 -6.616 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.882 3.077 -6.414 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.719 4.247 -8.552 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.245 5.149 -7.127 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.824 2.014 -8.651 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.582 0.940 -7.451 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.594 1.833 -8.611 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.717 5.636 -9.021 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.838 4.823 -7.704 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.320 3.907 -9.152 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.395 0.845 -4.876 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.489 -0.563 -4.510 1.00 1.00 C ATOM 1139 C LEU A 73 -8.697 -0.806 -3.607 1.00 1.00 C ATOM 1140 O LEU A 73 -9.349 -1.846 -3.694 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.215 -1.008 -3.791 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.157 -2.536 -3.763 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.409 -3.044 -4.996 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.426 -2.994 -2.500 1.00 1.00 C ATOM 0 H LEU A 73 -6.686 1.372 -4.366 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.610 -1.145 -5.424 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.338 -0.609 -4.300 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.201 -0.614 -2.775 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.171 -2.937 -3.764 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.369 -4.133 -4.974 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -5.929 -2.718 -5.897 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.395 -2.643 -4.997 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.384 -4.083 -2.479 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.413 -2.592 -2.500 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -5.959 -2.634 -1.620 1.00 1.00 H new ATOM 1156 N GLN A 74 -8.993 0.163 -2.744 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.132 0.036 -1.837 1.00 1.00 C ATOM 1158 C GLN A 74 -11.426 0.408 -2.553 1.00 1.00 C ATOM 1159 O GLN A 74 -12.518 0.234 -2.015 1.00 1.00 O ATOM 1160 CB GLN A 74 -9.952 0.941 -0.612 1.00 1.00 C ATOM 1161 CG GLN A 74 -8.774 0.441 0.227 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.375 1.504 1.245 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.384 2.696 0.935 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.020 1.142 2.448 1.00 1.00 N ATOM 0 H GLN A 74 -8.469 1.033 -2.653 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.186 -1.002 -1.509 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.775 1.969 -0.929 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -10.863 0.945 -0.013 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.047 -0.482 0.739 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -7.928 0.208 -0.420 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.013 0.154 2.702 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -7.749 1.847 3.134 1.00 1.00 H new ATOM 1173 N SER A 75 -11.294 0.922 -3.774 1.00 1.00 N ATOM 1174 CA SER A 75 -12.459 1.315 -4.557 1.00 1.00 C ATOM 1175 C SER A 75 -13.200 0.084 -5.064 1.00 1.00 C ATOM 1176 O SER A 75 -14.407 0.128 -5.302 1.00 1.00 O ATOM 1177 CB SER A 75 -12.026 2.177 -5.743 1.00 1.00 C ATOM 1178 OG SER A 75 -12.080 3.548 -5.369 1.00 1.00 O ATOM 0 H SER A 75 -10.399 1.074 -4.238 1.00 1.00 H new ATOM 0 HA SER A 75 -13.127 1.891 -3.917 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.015 1.911 -6.051 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.678 1.995 -6.597 1.00 1.00 H new ATOM 0 HG SER A 75 -11.273 3.782 -4.865 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.473 -1.017 -5.218 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.078 -2.257 -5.689 1.00 1.00 C ATOM 1186 C LEU A 76 -14.082 -2.759 -4.657 1.00 1.00 C ATOM 1187 O LEU A 76 -13.812 -2.733 -3.456 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.001 -3.321 -5.925 1.00 1.00 C ATOM 1189 CG LEU A 76 -10.990 -2.819 -6.961 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.607 -3.393 -6.646 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.423 -3.277 -8.354 1.00 1.00 C ATOM 0 H LEU A 76 -11.473 -1.077 -5.026 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.590 -2.064 -6.632 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.492 -3.550 -4.989 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.461 -4.246 -6.272 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.947 -1.730 -6.929 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -8.888 -3.036 -7.383 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.297 -3.071 -5.652 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.649 -4.482 -6.678 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -10.705 -2.921 -9.093 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -11.464 -4.366 -8.383 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.409 -2.871 -8.580 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.243 -3.206 -5.123 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.271 -3.696 -4.209 1.00 1.00 C ATOM 1205 C HIS A 77 -15.673 -4.681 -3.206 1.00 1.00 C ATOM 1206 O HIS A 77 -15.754 -4.459 -1.998 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.427 -4.343 -4.978 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.637 -3.454 -4.893 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.904 -2.472 -5.833 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.660 -3.385 -3.980 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.044 -1.859 -5.469 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.548 -2.376 -4.345 1.00 1.00 N ATOM 0 H HIS A 77 -15.495 -3.240 -6.111 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.668 -2.843 -3.659 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.146 -4.496 -6.020 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.652 -5.325 -4.561 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.761 -4.017 -3.110 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.497 -1.047 -6.019 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.399 -2.093 -3.859 1.00 1.00 H new ATOM 1220 N PRO A 78 -15.062 -5.750 -3.662 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.436 -6.748 -2.751 1.00 1.00 C ATOM 1222 C PRO A 78 -13.078 -6.258 -2.232 1.00 1.00 C ATOM 1223 O PRO A 78 -12.372 -5.538 -2.937 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.256 -7.974 -3.645 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.068 -7.420 -5.016 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.898 -6.135 -5.079 1.00 1.00 C ATOM 0 HA PRO A 78 -15.038 -6.942 -1.863 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.395 -8.566 -3.336 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -15.126 -8.629 -3.599 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.016 -7.213 -5.210 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.398 -8.133 -5.772 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.388 -5.357 -5.648 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.861 -6.304 -5.561 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.688 -6.630 -1.034 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.377 -6.205 -0.461 1.00 1.00 C ATOM 1236 C PRO A 79 -10.213 -6.946 -1.117 1.00 1.00 C ATOM 1237 O PRO A 79 -10.417 -7.951 -1.794 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.498 -6.572 1.021 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.470 -7.701 1.065 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.438 -7.488 -0.098 1.00 1.00 C ATOM 0 HA PRO A 79 -11.172 -5.147 -0.623 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.533 -6.867 1.434 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.851 -5.725 1.609 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -11.957 -8.658 0.972 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.003 -7.716 2.015 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.719 -8.434 -0.561 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.359 -7.008 0.232 1.00 1.00 H new ATOM 1248 N LEU A 80 -8.995 -6.452 -0.910 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.826 -7.097 -1.492 1.00 1.00 C ATOM 1250 C LEU A 80 -7.707 -8.518 -0.947 1.00 1.00 C ATOM 1251 O LEU A 80 -7.517 -8.714 0.251 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.566 -6.289 -1.159 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.325 -6.957 -1.766 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.459 -7.016 -3.290 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.084 -6.140 -1.399 1.00 1.00 C ATOM 0 H LEU A 80 -8.795 -5.621 -0.353 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.934 -7.140 -2.576 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.665 -5.274 -1.544 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.452 -6.210 -0.078 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.232 -7.970 -1.374 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.575 -7.491 -3.715 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.344 -7.594 -3.555 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.553 -6.005 -3.686 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.199 -6.610 -1.828 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.185 -5.129 -1.793 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.983 -6.098 -0.314 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.836 -9.502 -1.834 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.758 -10.902 -1.428 1.00 1.00 C ATOM 1269 C LYS A 81 -6.536 -11.584 -2.030 1.00 1.00 C ATOM 1270 O LYS A 81 -6.429 -11.735 -3.247 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.027 -11.642 -1.871 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.215 -12.917 -1.035 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.096 -13.920 -1.333 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.610 -15.336 -1.070 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.470 -16.215 -0.685 1.00 1.00 N ATOM 0 H LYS A 81 -7.994 -9.357 -2.831 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.670 -10.935 -0.342 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.895 -10.992 -1.757 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.957 -11.898 -2.928 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.215 -12.667 0.026 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.183 -13.366 -1.257 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.771 -13.824 -2.369 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.228 -13.713 -0.707 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.356 -15.322 -0.276 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.100 -15.728 -1.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.429 -17.032 -1.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.581 -15.679 -0.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.603 -16.548 0.291 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.626 -12.003 -1.157 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.413 -12.688 -1.585 1.00 1.00 C ATOM 1291 C ILE A 82 -4.413 -14.103 -1.022 1.00 1.00 C ATOM 1292 O ILE A 82 -4.763 -14.304 0.141 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.181 -11.927 -1.085 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.198 -10.505 -1.654 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.907 -12.642 -1.541 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.075 -9.683 -1.017 1.00 1.00 C ATOM 0 H ILE A 82 -5.706 -11.880 -0.148 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.382 -12.729 -2.674 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.200 -11.888 0.004 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.072 -10.534 -2.736 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.162 -10.036 -1.458 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.035 -12.096 -1.182 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.893 -13.654 -1.136 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.885 -12.686 -2.630 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.089 -8.672 -1.423 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.221 -9.642 0.062 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.114 -10.149 -1.236 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.040 -15.079 -1.854 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.014 -16.478 -1.430 1.00 1.00 C ATOM 1310 C ASP A 83 -3.645 -16.590 0.047 1.00 1.00 C ATOM 1311 O ASP A 83 -2.484 -16.437 0.423 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.001 -17.259 -2.270 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.479 -17.347 -3.715 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.664 -16.305 -4.321 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.654 -18.455 -4.194 1.00 1.00 O ATOM 0 H ASP A 83 -3.753 -14.926 -2.821 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.010 -16.897 -1.575 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.028 -16.769 -2.229 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.871 -18.260 -1.860 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.650 -16.852 0.877 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.433 -16.975 2.312 1.00 1.00 C ATOM 1322 C GLY A 84 -5.622 -16.420 3.091 1.00 1.00 C ATOM 1323 O GLY A 84 -6.204 -17.112 3.927 1.00 1.00 O ATOM 0 H GLY A 84 -5.617 -16.982 0.581 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.279 -18.022 2.572 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.526 -16.440 2.594 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.976 -15.169 2.814 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.098 -14.532 3.498 1.00 1.00 C ATOM 1329 C LYS A 85 -7.321 -13.117 2.969 1.00 1.00 C ATOM 1330 O LYS A 85 -6.630 -12.669 2.054 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.827 -14.478 5.003 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.328 -14.290 5.246 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.115 -13.544 6.565 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.619 -13.486 6.881 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.277 -14.557 7.859 1.00 1.00 N ATOM 0 H LYS A 85 -5.507 -14.579 2.126 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.995 -15.122 3.309 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.385 -13.658 5.454 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.171 -15.397 5.478 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.830 -15.259 5.279 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.883 -13.731 4.423 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.522 -12.535 6.495 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.649 -14.048 7.371 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.038 -13.614 5.968 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.360 -12.509 7.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.260 -14.519 8.075 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.822 -14.416 8.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.510 -15.486 7.453 1.00 1.00 H new ATOM 1349 N THR A 86 -8.291 -12.420 3.553 1.00 1.00 N ATOM 1350 CA THR A 86 -8.603 -11.056 3.135 1.00 1.00 C ATOM 1351 C THR A 86 -7.487 -10.099 3.546 1.00 1.00 C ATOM 1352 O THR A 86 -6.899 -10.244 4.619 1.00 1.00 O ATOM 1353 CB THR A 86 -9.923 -10.604 3.762 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.137 -9.229 3.473 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.865 -10.805 5.278 1.00 1.00 C ATOM 0 H THR A 86 -8.872 -12.774 4.313 1.00 1.00 H new ATOM 0 HA THR A 86 -8.695 -11.043 2.049 1.00 1.00 H new ATOM 0 HB THR A 86 -10.742 -11.194 3.350 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.983 -8.939 3.873 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.806 -10.483 5.724 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.701 -11.860 5.499 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.047 -10.216 5.692 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.201 -9.127 2.683 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.150 -8.150 2.957 1.00 1.00 C ATOM 1365 C ILE A 87 -6.714 -6.729 2.907 1.00 1.00 C ATOM 1366 O ILE A 87 -7.500 -6.392 2.015 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.020 -8.286 1.928 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.513 -9.736 1.883 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.867 -7.350 2.300 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.427 -9.949 2.937 1.00 1.00 C ATOM 0 H ILE A 87 -7.680 -8.995 1.792 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.756 -8.342 3.955 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.405 -8.015 0.945 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.340 -10.424 2.059 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.117 -9.960 0.892 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.067 -7.450 1.567 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.223 -6.320 2.310 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.489 -7.613 3.288 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -3.076 -10.980 2.895 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.594 -9.274 2.742 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.836 -9.745 3.927 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.307 -5.906 3.874 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.773 -4.523 3.945 1.00 1.00 C ATOM 1384 C GLY A 88 -5.614 -3.540 3.807 1.00 1.00 C ATOM 1385 O GLY A 88 -4.454 -3.903 4.001 1.00 1.00 O ATOM 0 H GLY A 88 -5.659 -6.172 4.615 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.502 -4.342 3.156 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.283 -4.357 4.894 1.00 1.00 H new ATOM 1389 N VAL A 89 -5.942 -2.292 3.473 1.00 1.00 N ATOM 1390 CA VAL A 89 -4.929 -1.254 3.312 1.00 1.00 C ATOM 1391 C VAL A 89 -5.218 -0.080 4.243 1.00 1.00 C ATOM 1392 O VAL A 89 -6.368 0.338 4.390 1.00 1.00 O ATOM 1393 CB VAL A 89 -4.924 -0.759 1.867 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.524 -0.264 1.502 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.315 -1.902 0.931 1.00 1.00 C ATOM 0 H VAL A 89 -6.899 -1.978 3.310 1.00 1.00 H new ATOM 0 HA VAL A 89 -3.956 -1.677 3.561 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.640 0.057 1.764 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.520 0.089 0.471 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.242 0.553 2.166 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.810 -1.081 1.608 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.311 -1.546 -0.099 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.601 -2.719 1.036 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.313 -2.257 1.188 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.172 0.449 4.868 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.329 1.579 5.777 1.00 1.00 C ATOM 1407 C ASP A 90 -3.183 2.569 5.604 1.00 1.00 C ATOM 1408 O ASP A 90 -2.144 2.235 5.034 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.366 1.087 7.226 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.149 -0.422 7.275 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -5.123 -1.145 7.152 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -3.013 -0.831 7.447 1.00 1.00 O ATOM 0 H ASP A 90 -3.213 0.117 4.763 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.267 2.081 5.541 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.596 1.592 7.809 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -5.325 1.339 7.679 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.377 3.787 6.098 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.351 4.817 5.989 1.00 1.00 C ATOM 1419 C PHE A 91 -1.219 4.552 6.977 1.00 1.00 C ATOM 1420 O PHE A 91 -1.312 3.655 7.817 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.965 6.188 6.268 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.585 6.734 5.004 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.770 7.055 3.911 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.970 6.915 4.922 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.343 7.559 2.736 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.542 7.421 3.749 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.729 7.742 2.655 1.00 1.00 C ATOM 0 H PHE A 91 -4.229 4.084 6.574 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.945 4.798 4.978 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.720 6.107 7.050 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.200 6.872 6.634 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.701 6.914 3.974 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.598 6.664 5.764 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.716 7.806 1.892 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.611 7.564 3.688 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.171 8.131 1.749 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.152 5.337 6.873 1.00 1.00 N ATOM 1438 CA ALA A 92 0.993 5.178 7.763 1.00 1.00 C ATOM 1439 C ALA A 92 0.866 6.097 8.972 1.00 1.00 C ATOM 1440 O ALA A 92 0.848 7.320 8.835 1.00 1.00 O ATOM 1441 CB ALA A 92 2.286 5.494 7.010 1.00 1.00 C ATOM 0 H ALA A 92 -0.056 6.085 6.186 1.00 1.00 H new ATOM 0 HA ALA A 92 1.018 4.145 8.110 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.137 5.373 7.681 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.391 4.813 6.165 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.254 6.521 6.647 1.00 1.00 H new ATOM 1447 N LYS A 93 0.779 5.500 10.156 1.00 1.00 N ATOM 1448 CA LYS A 93 0.655 6.276 11.384 1.00 1.00 C ATOM 1449 C LYS A 93 1.999 6.356 12.104 1.00 1.00 C ATOM 1450 O LYS A 93 2.513 7.444 12.358 1.00 1.00 O ATOM 1451 CB LYS A 93 -0.381 5.632 12.306 1.00 1.00 C ATOM 1452 CG LYS A 93 -1.763 6.218 12.010 1.00 1.00 C ATOM 1453 CD LYS A 93 -2.838 5.347 12.663 1.00 1.00 C ATOM 1454 CE LYS A 93 -4.219 5.946 12.388 1.00 1.00 C ATOM 1455 NZ LYS A 93 -4.710 6.644 13.610 1.00 1.00 N ATOM 0 H LYS A 93 0.792 4.489 10.291 1.00 1.00 H new ATOM 0 HA LYS A 93 0.333 7.284 11.124 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -0.393 4.552 12.158 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -0.115 5.808 13.348 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -1.826 7.238 12.390 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.925 6.268 10.933 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -2.786 4.332 12.270 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -2.665 5.283 13.737 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -4.164 6.646 11.554 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.917 5.160 12.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.649 7.051 13.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -4.777 5.965 14.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.047 7.404 13.866 1.00 1.00 H new ATOM 1469 N SER A 94 2.560 5.196 12.429 1.00 1.00 N ATOM 1470 CA SER A 94 3.843 5.145 13.119 1.00 1.00 C ATOM 1471 C SER A 94 3.803 5.995 14.386 1.00 1.00 C ATOM 1472 O SER A 94 4.245 7.144 14.389 1.00 1.00 O ATOM 1473 CB SER A 94 4.952 5.653 12.198 1.00 1.00 C ATOM 1474 OG SER A 94 5.195 4.690 11.181 1.00 1.00 O ATOM 0 H SER A 94 2.149 4.284 12.227 1.00 1.00 H new ATOM 0 HA SER A 94 4.045 4.110 13.394 1.00 1.00 H new ATOM 0 HB2 SER A 94 4.663 6.605 11.752 1.00 1.00 H new ATOM 0 HB3 SER A 94 5.862 5.832 12.770 1.00 1.00 H new ATOM 0 HG SER A 94 5.905 5.013 10.587 1.00 1.00 H new ATOM 1480 N ALA A 95 3.271 5.421 15.460 1.00 1.00 N ATOM 1481 CA ALA A 95 3.179 6.135 16.729 1.00 1.00 C ATOM 1482 C ALA A 95 3.277 5.163 17.900 1.00 1.00 C ATOM 1483 O ALA A 95 3.706 5.586 18.961 1.00 1.00 O ATOM 1484 CB ALA A 95 1.853 6.894 16.803 1.00 1.00 C ATOM 1485 OXT ALA A 95 2.923 4.010 17.718 1.00 1.00 O ATOM 0 H ALA A 95 2.900 4.471 15.478 1.00 1.00 H new ATOM 0 HA ALA A 95 4.007 6.841 16.789 1.00 1.00 H new ATOM 0 HB1 ALA A 95 1.790 7.425 17.753 1.00 1.00 H new ATOM 0 HB2 ALA A 95 1.797 7.610 15.983 1.00 1.00 H new ATOM 0 HB3 ALA A 95 1.025 6.189 16.726 1.00 1.00 H new TER 1491 ALA A 95