USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 31 GLN : amide:sc= 0.00107 K(o=0.002,f=-0.61) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 71 SER OG : rot -124:sc=0.000962 USER MOD Set 2.1: A 34 CYS SG : rot 180:sc= -2.53! USER MOD Set 2.2: A 37 CYS SG : rot -150:sc= -0.741 USER MOD Set 2.3: A 39 GLN : amide:sc= -1.03 K(o=-8.1,f=-7.1) USER MOD Set 2.4: A 54 CYS SG : rot 72:sc= -2.3! USER MOD Set 2.5: A 58 HIS : no HD1:sc= -1.5 K(o=-8.1,f=-7.1) USER MOD Set 3.1: A 5 CYS SG : rot -139:sc= 0.0848 USER MOD Set 3.2: A 21 CYS SG : rot -108:sc= 0.981 USER MOD Set 3.3: A 23 THR OG1 : rot 162:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.524 USER MOD Single : A 20 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.7!) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.918) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -6.96! C(o=-7!,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.165 USER MOD Single : A 55 GLN : amide:sc= -0.557 K(o=-0.56,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0265 (180deg=-0.184) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.176) USER MOD Single : A 67 ASN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.0079) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.731 0.133 6.585 1.00 0.00 N ATOM 2 CA MET A 1 12.830 0.860 5.908 1.00 0.00 C ATOM 3 C MET A 1 12.433 2.320 5.695 1.00 0.00 C ATOM 4 O MET A 1 12.680 3.161 6.560 1.00 0.00 O ATOM 5 CB MET A 1 13.179 0.191 4.573 1.00 0.00 C ATOM 6 CG MET A 1 14.428 0.751 3.910 1.00 0.00 C ATOM 7 SD MET A 1 15.914 0.486 4.898 1.00 0.00 S ATOM 8 CE MET A 1 17.163 1.197 3.826 1.00 0.00 C ATOM 0 H1 MET A 1 12.007 -0.860 6.727 1.00 0.00 H new ATOM 0 H2 MET A 1 11.539 0.574 7.507 1.00 0.00 H new ATOM 0 H3 MET A 1 10.874 0.173 5.997 1.00 0.00 H new ATOM 0 HA MET A 1 13.717 0.827 6.541 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.316 -0.878 4.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.336 0.303 3.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.557 0.284 2.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.296 1.819 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.141 1.110 4.299 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.171 0.665 2.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.937 2.249 3.652 1.00 0.00 H new ATOM 20 N GLU A 2 11.794 2.605 4.559 1.00 0.00 N ATOM 21 CA GLU A 2 11.302 3.946 4.250 1.00 0.00 C ATOM 22 C GLU A 2 10.649 3.956 2.873 1.00 0.00 C ATOM 23 O GLU A 2 11.030 3.184 1.992 1.00 0.00 O ATOM 24 CB GLU A 2 12.436 4.988 4.286 1.00 0.00 C ATOM 25 CG GLU A 2 11.953 6.424 4.130 1.00 0.00 C ATOM 26 CD GLU A 2 10.909 6.805 5.160 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.774 6.289 5.081 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.211 7.622 6.050 1.00 0.00 O ATOM 0 H GLU A 2 11.604 1.916 3.832 1.00 0.00 H new ATOM 0 HA GLU A 2 10.569 4.213 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.973 4.895 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.148 4.765 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.804 7.100 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.537 6.557 3.131 1.00 0.00 H new ATOM 35 N ILE A 3 9.655 4.812 2.700 1.00 0.00 N ATOM 36 CA ILE A 3 9.049 5.013 1.396 1.00 0.00 C ATOM 37 C ILE A 3 9.651 6.251 0.742 1.00 0.00 C ATOM 38 O ILE A 3 9.666 7.335 1.328 1.00 0.00 O ATOM 39 CB ILE A 3 7.510 5.148 1.478 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.104 6.192 2.525 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.878 3.797 1.791 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.609 6.424 2.608 1.00 0.00 C ATOM 0 H ILE A 3 9.252 5.378 3.446 1.00 0.00 H new ATOM 0 HA ILE A 3 9.260 4.131 0.791 1.00 0.00 H new ATOM 0 HB ILE A 3 7.144 5.488 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.468 5.874 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.597 7.136 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.795 3.906 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.132 3.086 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.255 3.432 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.399 7.175 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.241 6.773 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.110 5.491 2.871 1.00 0.00 H new ATOM 54 N THR A 4 10.185 6.082 -0.456 1.00 0.00 N ATOM 55 CA THR A 4 10.870 7.163 -1.143 1.00 0.00 C ATOM 56 C THR A 4 10.676 7.043 -2.653 1.00 0.00 C ATOM 57 O THR A 4 10.608 5.936 -3.186 1.00 0.00 O ATOM 58 CB THR A 4 12.378 7.145 -0.803 1.00 0.00 C ATOM 59 OG1 THR A 4 12.553 7.122 0.619 1.00 0.00 O ATOM 60 CG2 THR A 4 13.093 8.361 -1.370 1.00 0.00 C ATOM 0 H THR A 4 10.157 5.204 -0.974 1.00 0.00 H new ATOM 0 HA THR A 4 10.443 8.108 -0.808 1.00 0.00 H new ATOM 0 HB THR A 4 12.809 6.250 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.510 7.109 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.151 8.315 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.985 8.374 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.657 9.268 -0.951 1.00 0.00 H new ATOM 68 N CYS A 5 10.555 8.185 -3.322 1.00 0.00 N ATOM 69 CA CYS A 5 10.421 8.220 -4.772 1.00 0.00 C ATOM 70 C CYS A 5 11.693 7.665 -5.415 1.00 0.00 C ATOM 71 O CYS A 5 12.796 8.097 -5.080 1.00 0.00 O ATOM 72 CB CYS A 5 10.164 9.660 -5.231 1.00 0.00 C ATOM 73 SG CYS A 5 9.627 9.825 -6.952 1.00 0.00 S ATOM 0 H CYS A 5 10.547 9.104 -2.879 1.00 0.00 H new ATOM 0 HA CYS A 5 9.577 7.603 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.406 10.102 -4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.077 10.239 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 5 10.227 10.840 -7.499 1.00 0.00 H new ATOM 78 N PRO A 6 11.557 6.709 -6.353 1.00 0.00 N ATOM 79 CA PRO A 6 12.702 5.980 -6.930 1.00 0.00 C ATOM 80 C PRO A 6 13.610 6.848 -7.808 1.00 0.00 C ATOM 81 O PRO A 6 14.574 6.355 -8.397 1.00 0.00 O ATOM 82 CB PRO A 6 12.037 4.888 -7.774 1.00 0.00 C ATOM 83 CG PRO A 6 10.692 5.431 -8.108 1.00 0.00 C ATOM 84 CD PRO A 6 10.274 6.255 -6.923 1.00 0.00 C ATOM 0 HA PRO A 6 13.363 5.608 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.614 4.678 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.959 3.952 -7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.730 6.038 -9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.981 4.626 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.646 7.095 -7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.702 5.666 -6.206 1.00 0.00 H new ATOM 92 N VAL A 7 13.298 8.134 -7.891 1.00 0.00 N ATOM 93 CA VAL A 7 14.081 9.071 -8.683 1.00 0.00 C ATOM 94 C VAL A 7 14.278 10.364 -7.907 1.00 0.00 C ATOM 95 O VAL A 7 14.906 11.311 -8.386 1.00 0.00 O ATOM 96 CB VAL A 7 13.409 9.385 -10.040 1.00 0.00 C ATOM 97 CG1 VAL A 7 13.418 8.164 -10.946 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.986 9.882 -9.836 1.00 0.00 C ATOM 0 H VAL A 7 12.500 8.555 -7.414 1.00 0.00 H new ATOM 0 HA VAL A 7 15.044 8.603 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 7 13.984 10.175 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.940 8.411 -11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 7 14.447 7.854 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.874 7.351 -10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.533 10.097 -10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.403 9.116 -9.324 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.001 10.790 -9.233 1.00 0.00 H new ATOM 108 N CYS A 8 13.748 10.383 -6.693 1.00 0.00 N ATOM 109 CA CYS A 8 13.818 11.553 -5.843 1.00 0.00 C ATOM 110 C CYS A 8 14.271 11.152 -4.449 1.00 0.00 C ATOM 111 O CYS A 8 13.448 10.942 -3.557 1.00 0.00 O ATOM 112 CB CYS A 8 12.461 12.254 -5.769 1.00 0.00 C ATOM 113 SG CYS A 8 11.758 12.684 -7.379 1.00 0.00 S ATOM 0 H CYS A 8 13.261 9.590 -6.275 1.00 0.00 H new ATOM 0 HA CYS A 8 14.540 12.248 -6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.760 11.608 -5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.566 13.163 -5.177 1.00 0.00 H new ATOM 118 N HIS A 9 15.579 10.994 -4.296 1.00 0.00 N ATOM 119 CA HIS A 9 16.183 10.684 -3.003 1.00 0.00 C ATOM 120 C HIS A 9 15.869 11.777 -1.980 1.00 0.00 C ATOM 121 O HIS A 9 16.601 12.760 -1.842 1.00 0.00 O ATOM 122 CB HIS A 9 17.700 10.500 -3.138 1.00 0.00 C ATOM 123 CG HIS A 9 18.378 10.125 -1.853 1.00 0.00 C ATOM 124 ND1 HIS A 9 19.302 10.931 -1.225 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.257 9.023 -1.076 1.00 0.00 C ATOM 126 CE1 HIS A 9 19.720 10.343 -0.122 1.00 0.00 C ATOM 127 NE2 HIS A 9 19.101 9.182 -0.005 1.00 0.00 N ATOM 0 H HIS A 9 16.250 11.076 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 9 15.753 9.747 -2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.899 9.729 -3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.138 11.425 -3.513 1.00 0.00 H new ATOM 0 HD2 HIS A 9 17.615 8.175 -1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 9 20.446 10.743 0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.229 8.514 0.755 1.00 0.00 H new ATOM 136 N HIS A 10 14.751 11.602 -1.303 1.00 0.00 N ATOM 137 CA HIS A 10 14.294 12.515 -0.271 1.00 0.00 C ATOM 138 C HIS A 10 13.503 11.729 0.762 1.00 0.00 C ATOM 139 O HIS A 10 14.060 11.231 1.740 1.00 0.00 O ATOM 140 CB HIS A 10 13.413 13.620 -0.873 1.00 0.00 C ATOM 141 CG HIS A 10 14.135 14.893 -1.190 1.00 0.00 C ATOM 142 ND1 HIS A 10 14.859 15.094 -2.350 1.00 0.00 N ATOM 143 CD2 HIS A 10 14.220 16.050 -0.494 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.352 16.318 -2.348 1.00 0.00 C ATOM 145 NE2 HIS A 10 14.981 16.919 -1.235 1.00 0.00 N ATOM 0 H HIS A 10 14.125 10.811 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 10 15.157 12.988 0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.953 13.242 -1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.604 13.841 -0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.772 16.252 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.958 16.754 -3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.220 17.874 -0.968 1.00 0.00 H new ATOM 154 N ALA A 11 12.208 11.595 0.486 1.00 0.00 N ATOM 155 CA ALA A 11 11.280 10.819 1.298 1.00 0.00 C ATOM 156 C ALA A 11 9.881 11.000 0.735 1.00 0.00 C ATOM 157 O ALA A 11 9.684 11.800 -0.182 1.00 0.00 O ATOM 158 CB ALA A 11 11.316 11.248 2.761 1.00 0.00 C ATOM 0 H ALA A 11 11.768 12.032 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 11 11.573 9.770 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.611 10.646 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.321 11.105 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.042 12.300 2.838 1.00 0.00 H new ATOM 164 N LEU A 12 8.921 10.258 1.251 1.00 0.00 N ATOM 165 CA LEU A 12 7.539 10.434 0.844 1.00 0.00 C ATOM 166 C LEU A 12 6.684 10.816 2.039 1.00 0.00 C ATOM 167 O LEU A 12 6.741 10.167 3.087 1.00 0.00 O ATOM 168 CB LEU A 12 6.989 9.164 0.191 1.00 0.00 C ATOM 169 CG LEU A 12 7.621 8.795 -1.153 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.010 7.513 -1.696 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.456 9.929 -2.152 1.00 0.00 C ATOM 0 H LEU A 12 9.070 9.530 1.950 1.00 0.00 H new ATOM 0 HA LEU A 12 7.505 11.237 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.128 8.331 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.915 9.284 0.048 1.00 0.00 H new ATOM 0 HG LEU A 12 8.687 8.629 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.472 7.266 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.182 6.701 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.938 7.652 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.912 9.647 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.395 10.128 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.942 10.826 -1.768 1.00 0.00 H new ATOM 183 N GLU A 13 5.912 11.879 1.879 1.00 0.00 N ATOM 184 CA GLU A 13 5.007 12.332 2.922 1.00 0.00 C ATOM 185 C GLU A 13 3.833 11.368 3.001 1.00 0.00 C ATOM 186 O GLU A 13 3.033 11.284 2.069 1.00 0.00 O ATOM 187 CB GLU A 13 4.480 13.744 2.623 1.00 0.00 C ATOM 188 CG GLU A 13 5.320 14.542 1.630 1.00 0.00 C ATOM 189 CD GLU A 13 6.688 14.922 2.159 1.00 0.00 C ATOM 190 OE1 GLU A 13 6.769 15.854 2.986 1.00 0.00 O ATOM 191 OE2 GLU A 13 7.688 14.305 1.736 1.00 0.00 O ATOM 0 H GLU A 13 5.895 12.447 1.032 1.00 0.00 H new ATOM 0 HA GLU A 13 5.548 12.361 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.464 13.663 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.422 14.301 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.442 13.957 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.781 15.449 1.357 1.00 0.00 H new ATOM 198 N ARG A 14 3.741 10.623 4.088 1.00 0.00 N ATOM 199 CA ARG A 14 2.674 9.648 4.225 1.00 0.00 C ATOM 200 C ARG A 14 1.418 10.309 4.784 1.00 0.00 C ATOM 201 O ARG A 14 1.381 10.747 5.935 1.00 0.00 O ATOM 202 CB ARG A 14 3.129 8.459 5.087 1.00 0.00 C ATOM 203 CG ARG A 14 3.478 8.807 6.527 1.00 0.00 C ATOM 204 CD ARG A 14 4.672 8.007 7.019 1.00 0.00 C ATOM 205 NE ARG A 14 5.906 8.450 6.375 1.00 0.00 N ATOM 206 CZ ARG A 14 6.955 7.671 6.137 1.00 0.00 C ATOM 207 NH1 ARG A 14 6.950 6.393 6.501 1.00 0.00 N ATOM 208 NH2 ARG A 14 8.017 8.174 5.528 1.00 0.00 N ATOM 0 H ARG A 14 4.383 10.673 4.879 1.00 0.00 H new ATOM 0 HA ARG A 14 2.428 9.255 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.338 7.709 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.000 8.001 4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.696 9.872 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.619 8.612 7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.764 8.114 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.512 6.948 6.816 1.00 0.00 H new ATOM 0 HE ARG A 14 5.966 9.427 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.134 5.999 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.762 5.806 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.026 9.154 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.826 7.582 5.342 1.00 0.00 H new ATOM 222 N ASN A 15 0.394 10.398 3.947 1.00 0.00 N ATOM 223 CA ASN A 15 -0.865 11.022 4.336 1.00 0.00 C ATOM 224 C ASN A 15 -1.761 10.005 5.026 1.00 0.00 C ATOM 225 O ASN A 15 -2.932 10.267 5.293 1.00 0.00 O ATOM 226 CB ASN A 15 -1.598 11.589 3.112 1.00 0.00 C ATOM 227 CG ASN A 15 -0.729 12.482 2.245 1.00 0.00 C ATOM 228 OD1 ASN A 15 -0.121 12.025 1.277 1.00 0.00 O ATOM 229 ND2 ASN A 15 -0.664 13.760 2.577 1.00 0.00 N ATOM 0 H ASN A 15 0.410 10.045 2.990 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.637 11.838 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.972 10.763 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.466 12.156 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.096 14.402 2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.181 14.104 3.386 1.00 0.00 H new ATOM 236 N GLY A 16 -1.205 8.832 5.294 1.00 0.00 N ATOM 237 CA GLY A 16 -1.972 7.766 5.902 1.00 0.00 C ATOM 238 C GLY A 16 -2.624 6.886 4.858 1.00 0.00 C ATOM 239 O GLY A 16 -2.498 5.665 4.897 1.00 0.00 O ATOM 0 H GLY A 16 -0.231 8.600 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.320 7.162 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.738 8.192 6.550 1.00 0.00 H new ATOM 243 N ASP A 17 -3.311 7.522 3.919 1.00 0.00 N ATOM 244 CA ASP A 17 -3.965 6.818 2.822 1.00 0.00 C ATOM 245 C ASP A 17 -3.064 6.783 1.591 1.00 0.00 C ATOM 246 O ASP A 17 -2.937 5.755 0.924 1.00 0.00 O ATOM 247 CB ASP A 17 -5.290 7.505 2.476 1.00 0.00 C ATOM 248 CG ASP A 17 -5.955 6.914 1.249 1.00 0.00 C ATOM 249 OD1 ASP A 17 -6.737 5.953 1.392 1.00 0.00 O ATOM 250 OD2 ASP A 17 -5.701 7.421 0.133 1.00 0.00 O ATOM 0 H ASP A 17 -3.431 8.535 3.895 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.161 5.794 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.968 7.425 3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.111 8.567 2.310 1.00 0.00 H new ATOM 255 N THR A 18 -2.436 7.911 1.298 1.00 0.00 N ATOM 256 CA THR A 18 -1.603 8.035 0.114 1.00 0.00 C ATOM 257 C THR A 18 -0.202 8.528 0.492 1.00 0.00 C ATOM 258 O THR A 18 0.011 9.000 1.610 1.00 0.00 O ATOM 259 CB THR A 18 -2.236 9.022 -0.889 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.658 9.082 -0.698 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.943 8.602 -2.320 1.00 0.00 C ATOM 0 H THR A 18 -2.488 8.756 1.867 1.00 0.00 H new ATOM 0 HA THR A 18 -1.525 7.051 -0.348 1.00 0.00 H new ATOM 0 HB THR A 18 -1.801 10.005 -0.711 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.002 8.183 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.399 9.313 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.865 8.583 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.354 7.609 -2.499 1.00 0.00 H new ATOM 269 N ALA A 19 0.751 8.389 -0.425 1.00 0.00 N ATOM 270 CA ALA A 19 2.091 8.941 -0.236 1.00 0.00 C ATOM 271 C ALA A 19 2.341 10.054 -1.249 1.00 0.00 C ATOM 272 O ALA A 19 2.001 9.915 -2.419 1.00 0.00 O ATOM 273 CB ALA A 19 3.143 7.849 -0.372 1.00 0.00 C ATOM 0 H ALA A 19 0.621 7.898 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 19 2.162 9.357 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.134 8.279 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.968 7.080 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.081 7.405 -1.366 1.00 0.00 H new ATOM 279 N HIS A 20 2.925 11.155 -0.804 1.00 0.00 N ATOM 280 CA HIS A 20 3.125 12.313 -1.671 1.00 0.00 C ATOM 281 C HIS A 20 4.610 12.657 -1.794 1.00 0.00 C ATOM 282 O HIS A 20 5.352 12.579 -0.817 1.00 0.00 O ATOM 283 CB HIS A 20 2.344 13.508 -1.107 1.00 0.00 C ATOM 284 CG HIS A 20 2.283 14.696 -2.019 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.366 14.809 -3.041 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.021 15.832 -2.051 1.00 0.00 C ATOM 287 CE1 HIS A 20 1.542 15.960 -3.663 1.00 0.00 C ATOM 288 NE2 HIS A 20 2.538 16.600 -3.081 1.00 0.00 N ATOM 0 H HIS A 20 3.269 11.275 0.149 1.00 0.00 H new ATOM 0 HA HIS A 20 2.756 12.075 -2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.327 13.187 -0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.800 13.812 -0.165 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.661 14.112 -3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.836 16.086 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.968 16.317 -4.505 1.00 0.00 H new ATOM 297 N CYS A 21 5.039 13.020 -3.000 1.00 0.00 N ATOM 298 CA CYS A 21 6.408 13.472 -3.221 1.00 0.00 C ATOM 299 C CYS A 21 6.428 14.999 -3.290 1.00 0.00 C ATOM 300 O CYS A 21 5.569 15.603 -3.928 1.00 0.00 O ATOM 301 CB CYS A 21 6.966 12.877 -4.524 1.00 0.00 C ATOM 302 SG CYS A 21 8.765 13.043 -4.724 1.00 0.00 S ATOM 0 H CYS A 21 4.458 13.010 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 21 7.035 13.136 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.705 11.819 -4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.474 13.360 -5.368 1.00 0.00 H new ATOM 0 HG CYS A 21 9.020 13.927 -5.642 1.00 0.00 H new ATOM 307 N GLU A 22 7.383 15.626 -2.614 1.00 0.00 N ATOM 308 CA GLU A 22 7.494 17.084 -2.640 1.00 0.00 C ATOM 309 C GLU A 22 8.109 17.581 -3.941 1.00 0.00 C ATOM 310 O GLU A 22 7.976 18.756 -4.289 1.00 0.00 O ATOM 311 CB GLU A 22 8.316 17.594 -1.454 1.00 0.00 C ATOM 312 CG GLU A 22 7.511 17.745 -0.177 1.00 0.00 C ATOM 313 CD GLU A 22 6.337 18.689 -0.348 1.00 0.00 C ATOM 314 OE1 GLU A 22 6.556 19.861 -0.730 1.00 0.00 O ATOM 315 OE2 GLU A 22 5.186 18.264 -0.112 1.00 0.00 O ATOM 0 H GLU A 22 8.087 15.155 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 22 6.481 17.479 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.143 16.907 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.754 18.558 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.146 16.767 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.159 18.114 0.618 1.00 0.00 H new ATOM 322 N THR A 23 8.782 16.697 -4.662 1.00 0.00 N ATOM 323 CA THR A 23 9.411 17.080 -5.917 1.00 0.00 C ATOM 324 C THR A 23 8.408 16.992 -7.064 1.00 0.00 C ATOM 325 O THR A 23 8.270 17.918 -7.861 1.00 0.00 O ATOM 326 CB THR A 23 10.638 16.201 -6.238 1.00 0.00 C ATOM 327 OG1 THR A 23 10.236 14.837 -6.429 1.00 0.00 O ATOM 328 CG2 THR A 23 11.670 16.270 -5.123 1.00 0.00 C ATOM 0 H THR A 23 8.906 15.718 -4.403 1.00 0.00 H new ATOM 0 HA THR A 23 9.751 18.109 -5.805 1.00 0.00 H new ATOM 0 HB THR A 23 11.088 16.582 -7.155 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.941 14.352 -6.907 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.523 15.641 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.003 17.300 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.224 15.918 -4.192 1.00 0.00 H new ATOM 336 N CYS A 24 7.703 15.874 -7.130 1.00 0.00 N ATOM 337 CA CYS A 24 6.707 15.653 -8.162 1.00 0.00 C ATOM 338 C CYS A 24 5.347 15.415 -7.528 1.00 0.00 C ATOM 339 O CYS A 24 5.235 14.716 -6.525 1.00 0.00 O ATOM 340 CB CYS A 24 7.114 14.467 -9.040 1.00 0.00 C ATOM 341 SG CYS A 24 8.351 13.382 -8.280 1.00 0.00 S ATOM 0 H CYS A 24 7.805 15.100 -6.474 1.00 0.00 H new ATOM 0 HA CYS A 24 6.642 16.539 -8.793 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.226 13.880 -9.276 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.507 14.844 -9.984 1.00 0.00 H new ATOM 346 N ALA A 25 4.318 15.981 -8.135 1.00 0.00 N ATOM 347 CA ALA A 25 2.975 15.972 -7.568 1.00 0.00 C ATOM 348 C ALA A 25 2.261 14.649 -7.825 1.00 0.00 C ATOM 349 O ALA A 25 1.039 14.610 -7.993 1.00 0.00 O ATOM 350 CB ALA A 25 2.169 17.128 -8.135 1.00 0.00 C ATOM 0 H ALA A 25 4.387 16.460 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 25 3.065 16.088 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.166 17.116 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.659 18.070 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.103 17.029 -9.218 1.00 0.00 H new ATOM 356 N LYS A 26 3.018 13.566 -7.831 1.00 0.00 N ATOM 357 CA LYS A 26 2.447 12.247 -8.004 1.00 0.00 C ATOM 358 C LYS A 26 2.185 11.626 -6.643 1.00 0.00 C ATOM 359 O LYS A 26 3.070 11.590 -5.786 1.00 0.00 O ATOM 360 CB LYS A 26 3.371 11.341 -8.827 1.00 0.00 C ATOM 361 CG LYS A 26 2.815 9.935 -9.016 1.00 0.00 C ATOM 362 CD LYS A 26 3.715 9.066 -9.882 1.00 0.00 C ATOM 363 CE LYS A 26 3.142 7.662 -10.025 1.00 0.00 C ATOM 364 NZ LYS A 26 3.961 6.802 -10.919 1.00 0.00 N ATOM 0 H LYS A 26 4.032 13.577 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 26 1.509 12.348 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.538 11.794 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.342 11.278 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.688 9.464 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.827 9.996 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.826 9.519 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.710 9.014 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.075 7.198 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.127 7.725 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.376 6.023 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.316 7.368 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.764 6.412 -10.386 1.00 0.00 H new ATOM 378 N ASP A 27 0.970 11.151 -6.445 1.00 0.00 N ATOM 379 CA ASP A 27 0.609 10.498 -5.203 1.00 0.00 C ATOM 380 C ASP A 27 0.649 8.994 -5.394 1.00 0.00 C ATOM 381 O ASP A 27 0.122 8.469 -6.377 1.00 0.00 O ATOM 382 CB ASP A 27 -0.785 10.920 -4.728 1.00 0.00 C ATOM 383 CG ASP A 27 -0.908 12.410 -4.483 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.383 12.902 -3.460 1.00 0.00 O ATOM 385 OD2 ASP A 27 -1.544 13.095 -5.312 1.00 0.00 O ATOM 0 H ASP A 27 0.216 11.206 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 27 1.328 10.799 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.522 10.619 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.025 10.386 -3.808 1.00 0.00 H new ATOM 390 N PHE A 28 1.284 8.310 -4.470 1.00 0.00 N ATOM 391 CA PHE A 28 1.457 6.876 -4.556 1.00 0.00 C ATOM 392 C PHE A 28 0.419 6.163 -3.715 1.00 0.00 C ATOM 393 O PHE A 28 0.381 6.332 -2.490 1.00 0.00 O ATOM 394 CB PHE A 28 2.860 6.483 -4.100 1.00 0.00 C ATOM 395 CG PHE A 28 3.962 7.091 -4.922 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.343 6.515 -6.122 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.622 8.230 -4.490 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.360 7.066 -6.878 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.638 8.787 -5.243 1.00 0.00 C ATOM 400 CZ PHE A 28 6.008 8.203 -6.438 1.00 0.00 C ATOM 0 H PHE A 28 1.696 8.731 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 28 1.327 6.577 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.990 6.781 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.951 5.397 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.840 5.625 -6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.339 8.688 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.648 6.608 -7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.142 9.678 -4.897 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.803 8.635 -7.028 1.00 0.00 H new ATOM 410 N SER A 29 -0.437 5.397 -4.366 1.00 0.00 N ATOM 411 CA SER A 29 -1.440 4.611 -3.676 1.00 0.00 C ATOM 412 C SER A 29 -0.764 3.524 -2.849 1.00 0.00 C ATOM 413 O SER A 29 -0.044 2.682 -3.385 1.00 0.00 O ATOM 414 CB SER A 29 -2.403 3.992 -4.689 1.00 0.00 C ATOM 415 OG SER A 29 -2.945 4.988 -5.542 1.00 0.00 O ATOM 0 H SER A 29 -0.456 5.303 -5.381 1.00 0.00 H new ATOM 0 HA SER A 29 -2.008 5.257 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.880 3.243 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.209 3.478 -4.165 1.00 0.00 H new ATOM 0 HG SER A 29 -3.557 4.571 -6.184 1.00 0.00 H new ATOM 421 N LEU A 30 -0.980 3.554 -1.546 1.00 0.00 N ATOM 422 CA LEU A 30 -0.357 2.588 -0.660 1.00 0.00 C ATOM 423 C LEU A 30 -1.341 1.486 -0.308 1.00 0.00 C ATOM 424 O LEU A 30 -2.440 1.753 0.175 1.00 0.00 O ATOM 425 CB LEU A 30 0.142 3.275 0.614 1.00 0.00 C ATOM 426 CG LEU A 30 1.216 4.345 0.402 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.596 4.987 1.727 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.443 3.747 -0.274 1.00 0.00 C ATOM 0 H LEU A 30 -1.580 4.234 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 30 0.496 2.147 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.709 3.733 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.538 2.514 1.286 1.00 0.00 H new ATOM 0 HG LEU A 30 0.808 5.117 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.361 5.745 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.716 5.452 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.984 4.225 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.195 4.523 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.853 2.955 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.160 3.335 -1.242 1.00 0.00 H new ATOM 440 N GLN A 31 -0.951 0.249 -0.563 1.00 0.00 N ATOM 441 CA GLN A 31 -1.792 -0.886 -0.233 1.00 0.00 C ATOM 442 C GLN A 31 -1.172 -1.694 0.888 1.00 0.00 C ATOM 443 O GLN A 31 -0.041 -2.171 0.777 1.00 0.00 O ATOM 444 CB GLN A 31 -2.028 -1.780 -1.454 1.00 0.00 C ATOM 445 CG GLN A 31 -2.897 -1.133 -2.517 1.00 0.00 C ATOM 446 CD GLN A 31 -3.281 -2.092 -3.627 1.00 0.00 C ATOM 447 OE1 GLN A 31 -2.543 -3.020 -3.951 1.00 0.00 O ATOM 448 NE2 GLN A 31 -4.451 -1.879 -4.209 1.00 0.00 N ATOM 0 H GLN A 31 -0.060 0.006 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.757 -0.499 0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.066 -2.044 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.496 -2.709 -1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.802 -0.742 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.366 -0.283 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.034 -1.097 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.769 -2.497 -4.956 1.00 0.00 H new ATOM 457 N ALA A 32 -1.906 -1.813 1.979 1.00 0.00 N ATOM 458 CA ALA A 32 -1.477 -2.611 3.110 1.00 0.00 C ATOM 459 C ALA A 32 -1.709 -4.090 2.821 1.00 0.00 C ATOM 460 O ALA A 32 -2.808 -4.604 3.011 1.00 0.00 O ATOM 461 CB ALA A 32 -2.222 -2.175 4.363 1.00 0.00 C ATOM 0 H ALA A 32 -2.812 -1.361 2.105 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.410 -2.460 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.895 -2.779 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.012 -1.124 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.293 -2.309 4.214 1.00 0.00 H new ATOM 467 N LEU A 33 -0.679 -4.765 2.332 1.00 0.00 N ATOM 468 CA LEU A 33 -0.802 -6.163 1.960 1.00 0.00 C ATOM 469 C LEU A 33 -0.372 -7.059 3.115 1.00 0.00 C ATOM 470 O LEU A 33 0.502 -6.691 3.905 1.00 0.00 O ATOM 471 CB LEU A 33 0.052 -6.465 0.723 1.00 0.00 C ATOM 472 CG LEU A 33 -0.346 -7.714 -0.060 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.744 -7.556 -0.641 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.669 -7.980 -1.160 1.00 0.00 C ATOM 0 H LEU A 33 0.248 -4.367 2.185 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.847 -6.364 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.006 -5.607 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.091 -6.569 1.036 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.357 -8.568 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.011 -8.455 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.459 -7.403 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.764 -6.697 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.379 -8.872 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.703 -7.127 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.654 -8.132 -0.718 1.00 0.00 H new ATOM 486 N CYS A 34 -0.989 -8.223 3.214 1.00 0.00 N ATOM 487 CA CYS A 34 -0.632 -9.186 4.239 1.00 0.00 C ATOM 488 C CYS A 34 0.340 -10.211 3.662 1.00 0.00 C ATOM 489 O CYS A 34 0.005 -10.936 2.723 1.00 0.00 O ATOM 490 CB CYS A 34 -1.883 -9.878 4.791 1.00 0.00 C ATOM 491 SG CYS A 34 -1.567 -11.029 6.157 1.00 0.00 S ATOM 0 H CYS A 34 -1.742 -8.524 2.595 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.148 -8.663 5.064 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.584 -9.116 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.370 -10.421 3.981 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.689 -11.556 6.549 1.00 0.00 H new ATOM 496 N PRO A 35 1.565 -10.246 4.199 1.00 0.00 N ATOM 497 CA PRO A 35 2.609 -11.189 3.776 1.00 0.00 C ATOM 498 C PRO A 35 2.172 -12.637 3.964 1.00 0.00 C ATOM 499 O PRO A 35 1.500 -12.960 4.945 1.00 0.00 O ATOM 500 CB PRO A 35 3.791 -10.862 4.697 1.00 0.00 C ATOM 501 CG PRO A 35 3.522 -9.482 5.192 1.00 0.00 C ATOM 502 CD PRO A 35 2.029 -9.360 5.271 1.00 0.00 C ATOM 0 HA PRO A 35 2.846 -11.090 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.857 -11.572 5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.737 -10.911 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.980 -9.320 6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.940 -8.736 4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.650 -9.672 6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.700 -8.333 5.115 1.00 0.00 H new ATOM 510 N ASP A 36 2.528 -13.488 2.993 1.00 0.00 N ATOM 511 CA ASP A 36 2.144 -14.910 2.982 1.00 0.00 C ATOM 512 C ASP A 36 0.675 -15.073 2.597 1.00 0.00 C ATOM 513 O ASP A 36 0.284 -16.061 1.979 1.00 0.00 O ATOM 514 CB ASP A 36 2.416 -15.581 4.338 1.00 0.00 C ATOM 515 CG ASP A 36 2.054 -17.054 4.345 1.00 0.00 C ATOM 516 OD1 ASP A 36 2.863 -17.870 3.862 1.00 0.00 O ATOM 517 OD2 ASP A 36 0.965 -17.407 4.845 1.00 0.00 O ATOM 0 H ASP A 36 3.092 -13.211 2.190 1.00 0.00 H new ATOM 0 HA ASP A 36 2.760 -15.406 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.471 -15.469 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.847 -15.068 5.113 1.00 0.00 H new ATOM 522 N CYS A 37 -0.124 -14.089 2.966 1.00 0.00 N ATOM 523 CA CYS A 37 -1.530 -14.062 2.631 1.00 0.00 C ATOM 524 C CYS A 37 -1.728 -13.610 1.184 1.00 0.00 C ATOM 525 O CYS A 37 -1.902 -14.438 0.283 1.00 0.00 O ATOM 526 CB CYS A 37 -2.256 -13.121 3.601 1.00 0.00 C ATOM 527 SG CYS A 37 -3.991 -12.792 3.214 1.00 0.00 S ATOM 0 H CYS A 37 0.188 -13.284 3.509 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.947 -15.065 2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.200 -13.546 4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.721 -12.172 3.627 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.312 -11.604 3.634 1.00 0.00 H new ATOM 532 N ARG A 38 -1.669 -12.292 0.972 1.00 0.00 N ATOM 533 CA ARG A 38 -1.960 -11.671 -0.324 1.00 0.00 C ATOM 534 C ARG A 38 -3.334 -12.118 -0.840 1.00 0.00 C ATOM 535 O ARG A 38 -3.631 -12.054 -2.034 1.00 0.00 O ATOM 536 CB ARG A 38 -0.850 -11.981 -1.339 1.00 0.00 C ATOM 537 CG ARG A 38 -0.968 -11.191 -2.635 1.00 0.00 C ATOM 538 CD ARG A 38 0.034 -11.657 -3.676 1.00 0.00 C ATOM 539 NE ARG A 38 -0.338 -12.942 -4.264 1.00 0.00 N ATOM 540 CZ ARG A 38 0.438 -13.635 -5.096 1.00 0.00 C ATOM 541 NH1 ARG A 38 1.664 -13.206 -5.381 1.00 0.00 N ATOM 542 NH2 ARG A 38 -0.010 -14.762 -5.630 1.00 0.00 N ATOM 0 H ARG A 38 -1.417 -11.622 1.699 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.990 -10.590 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.117 -11.770 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.868 -13.046 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.978 -11.294 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.812 -10.132 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.112 -10.908 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.019 -11.741 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.249 -13.333 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.013 -12.344 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.256 -13.739 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.947 -15.097 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.582 -15.295 -6.267 1.00 0.00 H new ATOM 556 N GLN A 39 -4.175 -12.556 0.084 1.00 0.00 N ATOM 557 CA GLN A 39 -5.549 -12.907 -0.231 1.00 0.00 C ATOM 558 C GLN A 39 -6.366 -11.620 -0.311 1.00 0.00 C ATOM 559 O GLN A 39 -5.818 -10.542 -0.083 1.00 0.00 O ATOM 560 CB GLN A 39 -6.102 -13.852 0.844 1.00 0.00 C ATOM 561 CG GLN A 39 -5.336 -15.162 0.959 1.00 0.00 C ATOM 562 CD GLN A 39 -5.827 -16.032 2.101 1.00 0.00 C ATOM 563 OE1 GLN A 39 -5.054 -16.782 2.698 1.00 0.00 O ATOM 564 NE2 GLN A 39 -7.114 -15.950 2.407 1.00 0.00 N ATOM 0 H GLN A 39 -3.926 -12.677 1.066 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.605 -13.426 -1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.081 -13.343 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.146 -14.070 0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.426 -15.714 0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.277 -14.947 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.722 -15.316 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.496 -16.521 3.161 1.00 0.00 H new ATOM 573 N PRO A 40 -7.660 -11.685 -0.660 1.00 0.00 N ATOM 574 CA PRO A 40 -8.506 -10.492 -0.704 1.00 0.00 C ATOM 575 C PRO A 40 -8.646 -9.807 0.660 1.00 0.00 C ATOM 576 O PRO A 40 -9.597 -10.063 1.403 1.00 0.00 O ATOM 577 CB PRO A 40 -9.866 -11.016 -1.184 1.00 0.00 C ATOM 578 CG PRO A 40 -9.832 -12.484 -0.929 1.00 0.00 C ATOM 579 CD PRO A 40 -8.394 -12.892 -1.078 1.00 0.00 C ATOM 0 HA PRO A 40 -8.077 -9.730 -1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.684 -10.541 -0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.019 -10.804 -2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.203 -12.716 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.466 -13.019 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.151 -13.749 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.159 -13.172 -2.105 1.00 0.00 H new ATOM 587 N LEU A 41 -7.668 -8.973 1.009 1.00 0.00 N ATOM 588 CA LEU A 41 -7.787 -8.118 2.178 1.00 0.00 C ATOM 589 C LEU A 41 -8.955 -7.168 1.974 1.00 0.00 C ATOM 590 O LEU A 41 -9.036 -6.493 0.944 1.00 0.00 O ATOM 591 CB LEU A 41 -6.501 -7.310 2.437 1.00 0.00 C ATOM 592 CG LEU A 41 -5.368 -8.046 3.172 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.462 -8.794 2.205 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.556 -7.066 4.004 1.00 0.00 C ATOM 0 H LEU A 41 -6.790 -8.875 0.499 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.954 -8.752 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.117 -6.962 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.764 -6.424 3.015 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.826 -8.782 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.674 -9.301 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.047 -9.530 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.015 -8.088 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.758 -7.600 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.123 -6.307 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.204 -6.587 4.738 1.00 0.00 H new ATOM 606 N GLN A 42 -9.869 -7.134 2.933 1.00 0.00 N ATOM 607 CA GLN A 42 -11.041 -6.284 2.824 1.00 0.00 C ATOM 608 C GLN A 42 -10.619 -4.828 2.805 1.00 0.00 C ATOM 609 O GLN A 42 -9.896 -4.375 3.694 1.00 0.00 O ATOM 610 CB GLN A 42 -12.026 -6.528 3.978 1.00 0.00 C ATOM 611 CG GLN A 42 -12.838 -7.815 3.863 1.00 0.00 C ATOM 612 CD GLN A 42 -12.024 -9.073 4.113 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.325 -10.139 3.585 1.00 0.00 O ATOM 614 NE2 GLN A 42 -10.992 -8.962 4.934 1.00 0.00 N ATOM 0 H GLN A 42 -9.820 -7.683 3.791 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.550 -6.532 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.469 -6.549 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.714 -5.684 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.663 -7.779 4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.278 -7.869 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.770 -8.060 5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.418 -9.778 5.145 1.00 0.00 H new ATOM 623 N VAL A 43 -11.037 -4.114 1.774 1.00 0.00 N ATOM 624 CA VAL A 43 -10.761 -2.694 1.680 1.00 0.00 C ATOM 625 C VAL A 43 -11.690 -1.942 2.618 1.00 0.00 C ATOM 626 O VAL A 43 -12.824 -1.617 2.262 1.00 0.00 O ATOM 627 CB VAL A 43 -10.932 -2.165 0.239 1.00 0.00 C ATOM 628 CG1 VAL A 43 -10.499 -0.709 0.144 1.00 0.00 C ATOM 629 CG2 VAL A 43 -10.151 -3.022 -0.745 1.00 0.00 C ATOM 0 H VAL A 43 -11.568 -4.496 0.991 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.722 -2.532 1.966 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.989 -2.224 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.628 -0.357 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.108 -0.104 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.450 -0.622 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.285 -2.632 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.093 -3.001 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.515 -4.049 -0.702 1.00 0.00 H new ATOM 639 N LEU A 44 -11.215 -1.717 3.831 1.00 0.00 N ATOM 640 CA LEU A 44 -11.995 -1.043 4.849 1.00 0.00 C ATOM 641 C LEU A 44 -12.115 0.436 4.506 1.00 0.00 C ATOM 642 O LEU A 44 -11.166 1.204 4.651 1.00 0.00 O ATOM 643 CB LEU A 44 -11.343 -1.244 6.220 1.00 0.00 C ATOM 644 CG LEU A 44 -11.131 -2.710 6.625 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.378 -2.799 7.943 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.465 -3.436 6.729 1.00 0.00 C ATOM 0 H LEU A 44 -10.282 -1.996 4.135 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.998 -1.468 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.378 -0.737 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.962 -0.759 6.975 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.533 -3.193 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.238 -3.846 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.405 -2.318 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.950 -2.297 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.293 -4.473 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.087 -2.949 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.972 -3.406 5.764 1.00 0.00 H new ATOM 658 N LYS A 45 -13.283 0.817 4.018 1.00 0.00 N ATOM 659 CA LYS A 45 -13.504 2.163 3.520 1.00 0.00 C ATOM 660 C LYS A 45 -14.167 3.036 4.574 1.00 0.00 C ATOM 661 O LYS A 45 -15.239 2.706 5.084 1.00 0.00 O ATOM 662 CB LYS A 45 -14.380 2.112 2.269 1.00 0.00 C ATOM 663 CG LYS A 45 -13.770 1.303 1.136 1.00 0.00 C ATOM 664 CD LYS A 45 -14.806 0.934 0.088 1.00 0.00 C ATOM 665 CE LYS A 45 -15.919 0.091 0.690 1.00 0.00 C ATOM 666 NZ LYS A 45 -16.883 -0.386 -0.333 1.00 0.00 N ATOM 0 H LYS A 45 -14.099 0.207 3.956 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.536 2.599 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.348 1.685 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.563 3.129 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.969 1.876 0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.320 0.395 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.227 1.841 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.328 0.385 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.484 -0.766 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.450 0.677 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.622 -0.956 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.319 0.431 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.384 -0.968 -1.036 1.00 0.00 H new ATOM 680 N ALA A 46 -13.519 4.141 4.900 1.00 0.00 N ATOM 681 CA ALA A 46 -14.078 5.114 5.820 1.00 0.00 C ATOM 682 C ALA A 46 -14.252 6.445 5.106 1.00 0.00 C ATOM 683 O ALA A 46 -13.801 6.609 3.972 1.00 0.00 O ATOM 684 CB ALA A 46 -13.185 5.273 7.043 1.00 0.00 C ATOM 0 H ALA A 46 -12.598 4.387 4.537 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.052 4.763 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.622 6.007 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.096 4.315 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.197 5.611 6.731 1.00 0.00 H new ATOM 690 N CYS A 47 -14.911 7.383 5.755 1.00 0.00 N ATOM 691 CA CYS A 47 -15.111 8.698 5.177 1.00 0.00 C ATOM 692 C CYS A 47 -13.834 9.529 5.276 1.00 0.00 C ATOM 693 O CYS A 47 -13.561 10.155 6.303 1.00 0.00 O ATOM 694 CB CYS A 47 -16.284 9.395 5.867 1.00 0.00 C ATOM 695 SG CYS A 47 -16.353 9.121 7.653 1.00 0.00 S ATOM 0 H CYS A 47 -15.317 7.260 6.682 1.00 0.00 H new ATOM 0 HA CYS A 47 -15.351 8.590 4.119 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -16.220 10.466 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -17.215 9.046 5.420 1.00 0.00 H new ATOM 0 HG CYS A 47 -17.376 9.751 8.149 1.00 0.00 H new ATOM 701 N GLY A 48 -13.038 9.496 4.213 1.00 0.00 N ATOM 702 CA GLY A 48 -11.793 10.234 4.186 1.00 0.00 C ATOM 703 C GLY A 48 -10.640 9.414 3.634 1.00 0.00 C ATOM 704 O GLY A 48 -9.813 9.927 2.877 1.00 0.00 O ATOM 0 H GLY A 48 -13.237 8.966 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.920 11.131 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.549 10.564 5.196 1.00 0.00 H new ATOM 708 N ALA A 49 -10.586 8.138 4.001 1.00 0.00 N ATOM 709 CA ALA A 49 -9.488 7.267 3.589 1.00 0.00 C ATOM 710 C ALA A 49 -9.890 5.800 3.683 1.00 0.00 C ATOM 711 O ALA A 49 -10.931 5.470 4.256 1.00 0.00 O ATOM 712 CB ALA A 49 -8.262 7.531 4.451 1.00 0.00 C ATOM 0 H ALA A 49 -11.289 7.683 4.583 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.248 7.487 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.449 6.877 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.956 8.571 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.503 7.334 5.496 1.00 0.00 H new ATOM 718 N VAL A 50 -9.065 4.923 3.121 1.00 0.00 N ATOM 719 CA VAL A 50 -9.317 3.488 3.181 1.00 0.00 C ATOM 720 C VAL A 50 -8.174 2.769 3.896 1.00 0.00 C ATOM 721 O VAL A 50 -7.130 3.366 4.171 1.00 0.00 O ATOM 722 CB VAL A 50 -9.510 2.875 1.775 1.00 0.00 C ATOM 723 CG1 VAL A 50 -10.713 3.493 1.081 1.00 0.00 C ATOM 724 CG2 VAL A 50 -8.259 3.049 0.927 1.00 0.00 C ATOM 0 H VAL A 50 -8.216 5.181 2.619 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.242 3.352 3.742 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.691 1.807 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.831 3.048 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.609 3.307 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.562 4.568 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.422 2.609 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.038 4.111 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.419 2.552 1.412 1.00 0.00 H new ATOM 734 N ASP A 51 -8.381 1.498 4.211 1.00 0.00 N ATOM 735 CA ASP A 51 -7.362 0.700 4.880 1.00 0.00 C ATOM 736 C ASP A 51 -7.494 -0.762 4.473 1.00 0.00 C ATOM 737 O ASP A 51 -8.591 -1.316 4.476 1.00 0.00 O ATOM 738 CB ASP A 51 -7.497 0.836 6.399 1.00 0.00 C ATOM 739 CG ASP A 51 -6.269 0.357 7.148 1.00 0.00 C ATOM 740 OD1 ASP A 51 -6.208 -0.834 7.507 1.00 0.00 O ATOM 741 OD2 ASP A 51 -5.369 1.185 7.405 1.00 0.00 O ATOM 0 H ASP A 51 -9.247 0.996 4.014 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.379 1.063 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.684 1.880 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.365 0.267 6.734 1.00 0.00 H new ATOM 746 N TYR A 52 -6.387 -1.378 4.095 1.00 0.00 N ATOM 747 CA TYR A 52 -6.398 -2.780 3.703 1.00 0.00 C ATOM 748 C TYR A 52 -6.075 -3.662 4.907 1.00 0.00 C ATOM 749 O TYR A 52 -4.984 -3.588 5.475 1.00 0.00 O ATOM 750 CB TYR A 52 -5.405 -3.039 2.563 1.00 0.00 C ATOM 751 CG TYR A 52 -5.648 -2.204 1.323 1.00 0.00 C ATOM 752 CD1 TYR A 52 -5.255 -0.873 1.271 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.261 -2.750 0.203 1.00 0.00 C ATOM 754 CE1 TYR A 52 -5.469 -0.109 0.141 1.00 0.00 C ATOM 755 CE2 TYR A 52 -6.476 -1.992 -0.933 1.00 0.00 C ATOM 756 CZ TYR A 52 -6.077 -0.673 -0.960 1.00 0.00 C ATOM 757 OH TYR A 52 -6.289 0.085 -2.089 1.00 0.00 O ATOM 0 H TYR A 52 -5.471 -0.932 4.051 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.395 -3.029 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.395 -2.845 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.449 -4.094 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.774 -0.428 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.575 -3.783 0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.161 0.926 0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.955 -2.432 -1.796 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.727 -0.463 -2.774 1.00 0.00 H new ATOM 767 N PHE A 53 -7.037 -4.486 5.295 1.00 0.00 N ATOM 768 CA PHE A 53 -6.934 -5.289 6.506 1.00 0.00 C ATOM 769 C PHE A 53 -7.890 -6.473 6.395 1.00 0.00 C ATOM 770 O PHE A 53 -9.111 -6.293 6.338 1.00 0.00 O ATOM 771 CB PHE A 53 -7.292 -4.398 7.702 1.00 0.00 C ATOM 772 CG PHE A 53 -6.733 -4.836 9.026 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.417 -4.552 9.375 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.536 -5.493 9.939 1.00 0.00 C ATOM 775 CE1 PHE A 53 -4.920 -4.928 10.604 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.038 -5.874 11.169 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.732 -5.587 11.504 1.00 0.00 C ATOM 0 H PHE A 53 -7.909 -4.617 4.782 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.924 -5.676 6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.942 -3.386 7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.378 -4.349 7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.779 -4.032 8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.564 -5.711 9.688 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.895 -4.707 10.863 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.672 -6.397 11.869 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.345 -5.878 12.470 1.00 0.00 H new ATOM 787 N CYS A 54 -7.353 -7.681 6.321 1.00 0.00 N ATOM 788 CA CYS A 54 -8.176 -8.853 6.125 1.00 0.00 C ATOM 789 C CYS A 54 -8.811 -9.297 7.439 1.00 0.00 C ATOM 790 O CYS A 54 -8.246 -10.082 8.186 1.00 0.00 O ATOM 791 CB CYS A 54 -7.380 -9.981 5.456 1.00 0.00 C ATOM 792 SG CYS A 54 -5.683 -10.186 6.056 1.00 0.00 S ATOM 0 H CYS A 54 -6.353 -7.870 6.394 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.989 -8.592 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.916 -10.919 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.349 -9.795 4.382 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.704 -10.688 7.255 1.00 0.00 H new ATOM 797 N GLN A 55 -9.980 -8.742 7.724 1.00 0.00 N ATOM 798 CA GLN A 55 -10.715 -9.054 8.939 1.00 0.00 C ATOM 799 C GLN A 55 -11.361 -10.435 8.838 1.00 0.00 C ATOM 800 O GLN A 55 -11.081 -11.321 9.646 1.00 0.00 O ATOM 801 CB GLN A 55 -11.768 -7.958 9.180 1.00 0.00 C ATOM 802 CG GLN A 55 -12.512 -8.045 10.509 1.00 0.00 C ATOM 803 CD GLN A 55 -13.698 -8.994 10.472 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.580 -10.174 10.796 1.00 0.00 O ATOM 805 NE2 GLN A 55 -14.847 -8.480 10.074 1.00 0.00 N ATOM 0 H GLN A 55 -10.444 -8.064 7.120 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.031 -9.080 9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.277 -6.987 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.498 -7.995 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.819 -8.370 11.285 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.860 -7.051 10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.902 -7.495 9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.679 -9.068 10.027 1.00 0.00 H new ATOM 814 N ASN A 56 -12.212 -10.617 7.834 1.00 0.00 N ATOM 815 CA ASN A 56 -12.952 -11.867 7.681 1.00 0.00 C ATOM 816 C ASN A 56 -12.104 -12.923 6.981 1.00 0.00 C ATOM 817 O ASN A 56 -11.881 -14.011 7.517 1.00 0.00 O ATOM 818 CB ASN A 56 -14.251 -11.630 6.903 1.00 0.00 C ATOM 819 CG ASN A 56 -15.066 -12.901 6.731 1.00 0.00 C ATOM 820 OD1 ASN A 56 -14.915 -13.618 5.744 1.00 0.00 O ATOM 821 ND2 ASN A 56 -15.931 -13.186 7.690 1.00 0.00 N ATOM 0 H ASN A 56 -12.407 -9.919 7.116 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.201 -12.234 8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.852 -10.885 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.013 -11.219 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.504 -14.028 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.026 -12.564 8.493 1.00 0.00 H new ATOM 828 N GLY A 57 -11.646 -12.602 5.778 1.00 0.00 N ATOM 829 CA GLY A 57 -10.771 -13.502 5.057 1.00 0.00 C ATOM 830 C GLY A 57 -9.379 -13.515 5.648 1.00 0.00 C ATOM 831 O GLY A 57 -8.857 -12.463 6.008 1.00 0.00 O ATOM 0 H GLY A 57 -11.866 -11.734 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.186 -14.510 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.720 -13.201 4.011 1.00 0.00 H new ATOM 835 N HIS A 58 -8.797 -14.707 5.755 1.00 0.00 N ATOM 836 CA HIS A 58 -7.460 -14.904 6.322 1.00 0.00 C ATOM 837 C HIS A 58 -7.429 -14.569 7.814 1.00 0.00 C ATOM 838 O HIS A 58 -7.422 -15.472 8.652 1.00 0.00 O ATOM 839 CB HIS A 58 -6.400 -14.094 5.569 1.00 0.00 C ATOM 840 CG HIS A 58 -4.995 -14.473 5.931 1.00 0.00 C ATOM 841 ND1 HIS A 58 -4.238 -13.787 6.858 1.00 0.00 N ATOM 842 CD2 HIS A 58 -4.207 -15.477 5.479 1.00 0.00 C ATOM 843 CE1 HIS A 58 -3.048 -14.351 6.955 1.00 0.00 C ATOM 844 NE2 HIS A 58 -3.003 -15.377 6.133 1.00 0.00 N ATOM 0 H HIS A 58 -9.242 -15.572 5.449 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.220 -15.961 6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.541 -14.232 4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.548 -13.034 5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.475 -16.219 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.246 -14.025 7.601 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.204 -15.997 6.002 1.00 0.00 H new ATOM 852 N GLY A 59 -7.411 -13.285 8.147 1.00 0.00 N ATOM 853 CA GLY A 59 -7.375 -12.886 9.536 1.00 0.00 C ATOM 854 C GLY A 59 -6.518 -11.662 9.746 1.00 0.00 C ATOM 855 O GLY A 59 -5.610 -11.404 8.958 1.00 0.00 O ATOM 0 H GLY A 59 -7.421 -12.515 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.389 -12.684 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.990 -13.707 10.140 1.00 0.00 H new ATOM 859 N LEU A 60 -6.793 -10.925 10.817 1.00 0.00 N ATOM 860 CA LEU A 60 -6.129 -9.647 11.103 1.00 0.00 C ATOM 861 C LEU A 60 -4.605 -9.745 10.989 1.00 0.00 C ATOM 862 O LEU A 60 -4.012 -10.829 11.124 1.00 0.00 O ATOM 863 CB LEU A 60 -6.488 -9.184 12.517 1.00 0.00 C ATOM 864 CG LEU A 60 -7.959 -9.333 12.909 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.161 -8.924 14.357 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.856 -8.514 11.994 1.00 0.00 C ATOM 0 H LEU A 60 -7.485 -11.194 11.517 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.479 -8.930 10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.883 -9.746 13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.208 -8.135 12.618 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.236 -10.381 12.798 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.212 -9.035 14.623 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.554 -9.559 15.003 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.862 -7.884 14.486 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.896 -8.639 12.296 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.582 -7.461 12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.734 -8.854 10.966 1.00 0.00 H new ATOM 878 N ILE A 61 -3.974 -8.613 10.733 1.00 0.00 N ATOM 879 CA ILE A 61 -2.525 -8.545 10.639 1.00 0.00 C ATOM 880 C ILE A 61 -2.013 -7.448 11.549 1.00 0.00 C ATOM 881 O ILE A 61 -2.546 -6.344 11.545 1.00 0.00 O ATOM 882 CB ILE A 61 -2.016 -8.231 9.208 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.988 -8.726 8.133 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.636 -8.839 8.996 1.00 0.00 C ATOM 885 CD1 ILE A 61 -4.090 -7.736 7.807 1.00 0.00 C ATOM 0 H ILE A 61 -4.446 -7.721 10.585 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.155 -9.529 10.927 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.950 -7.147 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.429 -8.947 7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.438 -9.661 8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.289 -8.612 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.061 -8.421 9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.691 -9.920 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.739 -8.155 7.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.674 -7.533 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.649 -6.808 7.444 1.00 0.00 H new ATOM 897 N SER A 62 -1.002 -7.752 12.338 1.00 0.00 N ATOM 898 CA SER A 62 -0.322 -6.719 13.091 1.00 0.00 C ATOM 899 C SER A 62 0.227 -5.690 12.110 1.00 0.00 C ATOM 900 O SER A 62 0.919 -6.051 11.158 1.00 0.00 O ATOM 901 CB SER A 62 0.809 -7.320 13.926 1.00 0.00 C ATOM 902 OG SER A 62 1.493 -6.318 14.660 1.00 0.00 O ATOM 0 H SER A 62 -0.637 -8.695 12.473 1.00 0.00 H new ATOM 0 HA SER A 62 -1.021 -6.240 13.776 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.403 -8.063 14.612 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.511 -7.839 13.273 1.00 0.00 H new ATOM 0 HG SER A 62 2.210 -6.730 15.186 1.00 0.00 H new ATOM 908 N LYS A 63 -0.094 -4.419 12.327 1.00 0.00 N ATOM 909 CA LYS A 63 0.316 -3.359 11.408 1.00 0.00 C ATOM 910 C LYS A 63 1.839 -3.245 11.333 1.00 0.00 C ATOM 911 O LYS A 63 2.384 -2.633 10.414 1.00 0.00 O ATOM 912 CB LYS A 63 -0.303 -2.022 11.816 1.00 0.00 C ATOM 913 CG LYS A 63 -1.802 -1.962 11.579 1.00 0.00 C ATOM 914 CD LYS A 63 -2.373 -0.600 11.936 1.00 0.00 C ATOM 915 CE LYS A 63 -3.863 -0.530 11.646 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.160 -0.657 10.194 1.00 0.00 N ATOM 0 H LYS A 63 -0.636 -4.096 13.129 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.048 -3.622 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.101 -1.842 12.872 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.179 -1.220 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.014 -2.183 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.296 -2.731 12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.196 -0.395 12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.854 0.174 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.375 -1.323 12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.259 0.416 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.144 -0.371 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.517 -0.044 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.028 -1.645 9.898 1.00 0.00 H new ATOM 930 N LYS A 64 2.520 -3.858 12.296 1.00 0.00 N ATOM 931 CA LYS A 64 3.977 -3.898 12.313 1.00 0.00 C ATOM 932 C LYS A 64 4.505 -4.949 11.339 1.00 0.00 C ATOM 933 O LYS A 64 5.701 -5.014 11.064 1.00 0.00 O ATOM 934 CB LYS A 64 4.476 -4.206 13.727 1.00 0.00 C ATOM 935 CG LYS A 64 5.237 -3.062 14.374 1.00 0.00 C ATOM 936 CD LYS A 64 6.526 -2.760 13.628 1.00 0.00 C ATOM 937 CE LYS A 64 7.335 -1.677 14.324 1.00 0.00 C ATOM 938 NZ LYS A 64 7.825 -2.112 15.661 1.00 0.00 N ATOM 0 H LYS A 64 2.080 -4.338 13.081 1.00 0.00 H new ATOM 0 HA LYS A 64 4.348 -2.921 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.623 -4.463 14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.121 -5.084 13.691 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.609 -2.171 14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.465 -3.315 15.410 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.124 -3.668 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.293 -2.444 12.611 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.185 -1.403 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.721 -0.783 14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.532 -1.433 16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.027 -2.153 16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.259 -3.054 15.582 1.00 0.00 H new ATOM 952 N ARG A 65 3.607 -5.784 10.833 1.00 0.00 N ATOM 953 CA ARG A 65 3.977 -6.813 9.871 1.00 0.00 C ATOM 954 C ARG A 65 3.262 -6.602 8.547 1.00 0.00 C ATOM 955 O ARG A 65 3.434 -7.372 7.606 1.00 0.00 O ATOM 956 CB ARG A 65 3.669 -8.205 10.424 1.00 0.00 C ATOM 957 CG ARG A 65 4.618 -8.621 11.532 1.00 0.00 C ATOM 958 CD ARG A 65 6.058 -8.499 11.069 1.00 0.00 C ATOM 959 NE ARG A 65 7.016 -8.819 12.122 1.00 0.00 N ATOM 960 CZ ARG A 65 8.057 -8.050 12.436 1.00 0.00 C ATOM 961 NH1 ARG A 65 8.222 -6.872 11.840 1.00 0.00 N ATOM 962 NH2 ARG A 65 8.920 -8.451 13.359 1.00 0.00 N ATOM 0 H ARG A 65 2.616 -5.769 11.073 1.00 0.00 H new ATOM 0 HA ARG A 65 5.050 -6.738 9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.647 -8.223 10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.722 -8.933 9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.458 -7.996 12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.411 -9.649 11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.220 -9.164 10.221 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.237 -7.483 10.716 1.00 0.00 H new ATOM 0 HE ARG A 65 6.880 -9.682 12.648 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.550 -6.556 11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.020 -6.285 12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.786 -9.347 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.718 -7.863 13.601 1.00 0.00 H new ATOM 976 N VAL A 66 2.467 -5.550 8.483 1.00 0.00 N ATOM 977 CA VAL A 66 1.772 -5.189 7.259 1.00 0.00 C ATOM 978 C VAL A 66 2.757 -4.648 6.230 1.00 0.00 C ATOM 979 O VAL A 66 3.598 -3.802 6.546 1.00 0.00 O ATOM 980 CB VAL A 66 0.682 -4.134 7.532 1.00 0.00 C ATOM 981 CG1 VAL A 66 0.151 -3.558 6.234 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.456 -4.735 8.336 1.00 0.00 C ATOM 0 H VAL A 66 2.285 -4.926 9.269 1.00 0.00 H new ATOM 0 HA VAL A 66 1.297 -6.089 6.868 1.00 0.00 H new ATOM 0 HB VAL A 66 1.134 -3.328 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.617 -2.816 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.966 -3.086 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.278 -4.357 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.215 -3.974 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.898 -5.562 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.074 -5.102 9.289 1.00 0.00 H new ATOM 992 N ASN A 67 2.657 -5.141 5.006 1.00 0.00 N ATOM 993 CA ASN A 67 3.540 -4.702 3.939 1.00 0.00 C ATOM 994 C ASN A 67 2.849 -3.644 3.088 1.00 0.00 C ATOM 995 O ASN A 67 2.055 -3.964 2.205 1.00 0.00 O ATOM 996 CB ASN A 67 3.969 -5.889 3.067 1.00 0.00 C ATOM 997 CG ASN A 67 4.943 -5.495 1.965 1.00 0.00 C ATOM 998 OD1 ASN A 67 4.943 -6.085 0.883 1.00 0.00 O ATOM 999 ND2 ASN A 67 5.799 -4.520 2.236 1.00 0.00 N ATOM 0 H ASN A 67 1.973 -5.845 4.727 1.00 0.00 H new ATOM 0 HA ASN A 67 4.433 -4.266 4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.431 -6.648 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.085 -6.342 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.486 -4.236 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.770 -4.053 3.143 1.00 0.00 H new ATOM 1006 N PHE A 68 3.126 -2.385 3.391 1.00 0.00 N ATOM 1007 CA PHE A 68 2.589 -1.276 2.614 1.00 0.00 C ATOM 1008 C PHE A 68 3.344 -1.148 1.297 1.00 0.00 C ATOM 1009 O PHE A 68 4.502 -0.735 1.274 1.00 0.00 O ATOM 1010 CB PHE A 68 2.687 0.035 3.401 1.00 0.00 C ATOM 1011 CG PHE A 68 1.797 0.091 4.614 1.00 0.00 C ATOM 1012 CD1 PHE A 68 2.233 -0.387 5.843 1.00 0.00 C ATOM 1013 CD2 PHE A 68 0.525 0.635 4.528 1.00 0.00 C ATOM 1014 CE1 PHE A 68 1.417 -0.323 6.956 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -0.294 0.701 5.639 1.00 0.00 C ATOM 1016 CZ PHE A 68 0.152 0.222 6.854 1.00 0.00 C ATOM 0 H PHE A 68 3.721 -2.104 4.171 1.00 0.00 H new ATOM 0 HA PHE A 68 1.538 -1.478 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.721 0.182 3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.434 0.863 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.221 -0.814 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.169 1.012 3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.768 -0.699 7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.283 1.127 5.557 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.487 0.273 7.723 1.00 0.00 H new ATOM 1026 N VAL A 69 2.692 -1.528 0.209 1.00 0.00 N ATOM 1027 CA VAL A 69 3.322 -1.493 -1.103 1.00 0.00 C ATOM 1028 C VAL A 69 2.886 -0.266 -1.894 1.00 0.00 C ATOM 1029 O VAL A 69 1.755 0.214 -1.753 1.00 0.00 O ATOM 1030 CB VAL A 69 3.009 -2.767 -1.920 1.00 0.00 C ATOM 1031 CG1 VAL A 69 3.543 -4.000 -1.213 1.00 0.00 C ATOM 1032 CG2 VAL A 69 1.514 -2.904 -2.175 1.00 0.00 C ATOM 0 H VAL A 69 1.729 -1.864 0.208 1.00 0.00 H new ATOM 0 HA VAL A 69 4.397 -1.443 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 69 3.508 -2.676 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.313 -4.887 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.623 -3.913 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.077 -4.087 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.325 -3.809 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.986 -2.963 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.159 -2.037 -2.733 1.00 0.00 H new ATOM 1042 N ILE A 70 3.792 0.240 -2.720 1.00 0.00 N ATOM 1043 CA ILE A 70 3.491 1.361 -3.594 1.00 0.00 C ATOM 1044 C ILE A 70 2.813 0.855 -4.860 1.00 0.00 C ATOM 1045 O ILE A 70 3.427 0.155 -5.666 1.00 0.00 O ATOM 1046 CB ILE A 70 4.767 2.149 -3.970 1.00 0.00 C ATOM 1047 CG1 ILE A 70 5.357 2.836 -2.735 1.00 0.00 C ATOM 1048 CG2 ILE A 70 4.467 3.170 -5.057 1.00 0.00 C ATOM 1049 CD1 ILE A 70 6.612 3.637 -3.021 1.00 0.00 C ATOM 0 H ILE A 70 4.746 -0.112 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 70 2.824 2.036 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 70 5.503 1.444 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.605 3.498 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.583 2.080 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.378 3.714 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.095 2.658 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.713 3.871 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.970 4.093 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.381 2.977 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.388 4.417 -3.748 1.00 0.00 H new ATOM 1061 N SER A 71 1.547 1.190 -5.022 1.00 0.00 N ATOM 1062 CA SER A 71 0.781 0.721 -6.158 1.00 0.00 C ATOM 1063 C SER A 71 0.669 1.796 -7.231 1.00 0.00 C ATOM 1064 O SER A 71 0.337 2.949 -6.947 1.00 0.00 O ATOM 1065 CB SER A 71 -0.604 0.283 -5.697 1.00 0.00 C ATOM 1066 OG SER A 71 -0.498 -0.687 -4.670 1.00 0.00 O ATOM 0 H SER A 71 1.027 1.787 -4.379 1.00 0.00 H new ATOM 0 HA SER A 71 1.301 -0.131 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.164 1.146 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.161 -0.128 -6.539 1.00 0.00 H new ATOM 0 HG SER A 71 -0.989 -1.494 -4.930 1.00 0.00 H new ATOM 1072 N ASP A 72 0.962 1.402 -8.459 1.00 0.00 N ATOM 1073 CA ASP A 72 0.846 2.285 -9.608 1.00 0.00 C ATOM 1074 C ASP A 72 -0.340 1.809 -10.449 1.00 0.00 C ATOM 1075 O ASP A 72 -1.288 1.247 -9.897 1.00 0.00 O ATOM 1076 CB ASP A 72 2.159 2.254 -10.409 1.00 0.00 C ATOM 1077 CG ASP A 72 2.276 3.379 -11.423 1.00 0.00 C ATOM 1078 OD1 ASP A 72 2.660 4.500 -11.038 1.00 0.00 O ATOM 1079 OD2 ASP A 72 1.999 3.132 -12.617 1.00 0.00 O ATOM 0 H ASP A 72 1.287 0.462 -8.688 1.00 0.00 H new ATOM 0 HA ASP A 72 0.672 3.316 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.999 2.310 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.237 1.298 -10.928 1.00 0.00 H new ATOM 1084 N GLN A 73 -0.301 2.039 -11.760 1.00 0.00 N ATOM 1085 CA GLN A 73 -1.328 1.529 -12.672 1.00 0.00 C ATOM 1086 C GLN A 73 -2.705 2.098 -12.333 1.00 0.00 C ATOM 1087 O GLN A 73 -3.710 1.381 -12.378 1.00 0.00 O ATOM 1088 CB GLN A 73 -1.370 -0.003 -12.619 1.00 0.00 C ATOM 1089 CG GLN A 73 -0.048 -0.668 -12.972 1.00 0.00 C ATOM 1090 CD GLN A 73 0.362 -0.438 -14.412 1.00 0.00 C ATOM 1091 OE1 GLN A 73 0.004 -1.213 -15.299 1.00 0.00 O ATOM 1092 NE2 GLN A 73 1.120 0.619 -14.658 1.00 0.00 N ATOM 0 H GLN A 73 0.434 2.578 -12.218 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.067 1.849 -13.681 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.666 -0.314 -11.617 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.139 -0.360 -13.304 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.732 -0.287 -12.312 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.126 -1.740 -12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.396 1.238 -13.895 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.428 0.815 -15.610 1.00 0.00 H new ATOM 1101 N LEU A 74 -2.743 3.389 -12.003 1.00 0.00 N ATOM 1102 CA LEU A 74 -3.995 4.071 -11.683 1.00 0.00 C ATOM 1103 C LEU A 74 -4.991 3.941 -12.833 1.00 0.00 C ATOM 1104 O LEU A 74 -4.593 3.905 -14.000 1.00 0.00 O ATOM 1105 CB LEU A 74 -3.747 5.552 -11.366 1.00 0.00 C ATOM 1106 CG LEU A 74 -3.190 5.855 -9.967 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -1.772 5.326 -9.807 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -3.232 7.351 -9.693 1.00 0.00 C ATOM 0 H LEU A 74 -1.917 3.985 -11.950 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.418 3.594 -10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.053 5.951 -12.106 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.686 6.092 -11.486 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.820 5.345 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.408 5.557 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.768 4.246 -9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.123 5.795 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.834 7.550 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.630 7.874 -10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.262 7.702 -9.749 1.00 0.00 H new ATOM 1120 N GLU A 75 -6.278 3.897 -12.482 1.00 0.00 N ATOM 1121 CA GLU A 75 -7.354 3.591 -13.425 1.00 0.00 C ATOM 1122 C GLU A 75 -7.323 2.119 -13.806 1.00 0.00 C ATOM 1123 O GLU A 75 -6.724 1.728 -14.809 1.00 0.00 O ATOM 1124 CB GLU A 75 -7.300 4.469 -14.679 1.00 0.00 C ATOM 1125 CG GLU A 75 -7.895 5.850 -14.481 1.00 0.00 C ATOM 1126 CD GLU A 75 -9.371 5.796 -14.159 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -10.150 5.297 -14.999 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -9.763 6.249 -13.064 1.00 0.00 O ATOM 0 H GLU A 75 -6.604 4.073 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.294 3.812 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.262 4.572 -14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.831 3.966 -15.487 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.367 6.359 -13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.743 6.442 -15.384 1.00 0.00 H new ATOM 1135 N HIS A 76 -7.953 1.305 -12.976 1.00 0.00 N ATOM 1136 CA HIS A 76 -8.016 -0.128 -13.211 1.00 0.00 C ATOM 1137 C HIS A 76 -9.198 -0.468 -14.110 1.00 0.00 C ATOM 1138 O HIS A 76 -9.734 0.400 -14.802 1.00 0.00 O ATOM 1139 CB HIS A 76 -8.125 -0.887 -11.885 1.00 0.00 C ATOM 1140 CG HIS A 76 -6.879 -0.841 -11.051 1.00 0.00 C ATOM 1141 ND1 HIS A 76 -6.864 -0.393 -9.749 1.00 0.00 N ATOM 1142 CD2 HIS A 76 -5.609 -1.211 -11.334 1.00 0.00 C ATOM 1143 CE1 HIS A 76 -5.638 -0.486 -9.267 1.00 0.00 C ATOM 1144 NE2 HIS A 76 -4.856 -0.980 -10.207 1.00 0.00 N ATOM 0 H HIS A 76 -8.430 1.614 -12.129 1.00 0.00 H new ATOM 0 HA HIS A 76 -7.097 -0.434 -13.711 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.952 -0.472 -11.308 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -8.372 -1.928 -12.093 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.253 -1.613 -12.271 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.328 -0.205 -8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.857 -1.161 -10.113 1.00 0.00 H new ATOM 1153 N HIS A 77 -9.608 -1.728 -14.091 1.00 0.00 N ATOM 1154 CA HIS A 77 -10.665 -2.196 -14.977 1.00 0.00 C ATOM 1155 C HIS A 77 -12.030 -1.835 -14.407 1.00 0.00 C ATOM 1156 O HIS A 77 -12.239 -1.892 -13.194 1.00 0.00 O ATOM 1157 CB HIS A 77 -10.558 -3.711 -15.192 1.00 0.00 C ATOM 1158 CG HIS A 77 -9.195 -4.149 -15.632 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -8.792 -4.174 -16.949 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -8.126 -4.551 -14.909 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -7.533 -4.566 -17.012 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -7.105 -4.801 -15.790 1.00 0.00 N ATOM 0 H HIS A 77 -9.226 -2.444 -13.473 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.549 -1.704 -15.943 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -10.815 -4.222 -14.264 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.290 -4.018 -15.939 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.084 -4.656 -13.835 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.951 -4.676 -17.915 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.168 -5.117 -15.539 1.00 0.00 H new ATOM 1171 N HIS A 78 -12.950 -1.452 -15.279 1.00 0.00 N ATOM 1172 CA HIS A 78 -14.276 -1.034 -14.848 1.00 0.00 C ATOM 1173 C HIS A 78 -15.350 -1.947 -15.419 1.00 0.00 C ATOM 1174 O HIS A 78 -15.301 -2.334 -16.586 1.00 0.00 O ATOM 1175 CB HIS A 78 -14.552 0.428 -15.236 1.00 0.00 C ATOM 1176 CG HIS A 78 -14.420 0.732 -16.702 1.00 0.00 C ATOM 1177 ND1 HIS A 78 -15.415 0.480 -17.623 1.00 0.00 N ATOM 1178 CD2 HIS A 78 -13.396 1.281 -17.402 1.00 0.00 C ATOM 1179 CE1 HIS A 78 -15.011 0.862 -18.818 1.00 0.00 C ATOM 1180 NE2 HIS A 78 -13.793 1.352 -18.713 1.00 0.00 N ATOM 0 H HIS A 78 -12.804 -1.422 -16.288 1.00 0.00 H new ATOM 0 HA HIS A 78 -14.306 -1.109 -13.761 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -15.561 0.689 -14.916 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -13.866 1.070 -14.684 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.446 1.602 -17.002 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -15.583 0.786 -19.731 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -13.235 1.724 -19.482 1.00 0.00 H new ATOM 1189 N HIS A 79 -16.313 -2.294 -14.578 1.00 0.00 N ATOM 1190 CA HIS A 79 -17.432 -3.132 -14.978 1.00 0.00 C ATOM 1191 C HIS A 79 -18.627 -2.842 -14.082 1.00 0.00 C ATOM 1192 O HIS A 79 -18.470 -2.669 -12.875 1.00 0.00 O ATOM 1193 CB HIS A 79 -17.059 -4.626 -14.919 1.00 0.00 C ATOM 1194 CG HIS A 79 -16.525 -5.090 -13.591 1.00 0.00 C ATOM 1195 ND1 HIS A 79 -17.314 -5.661 -12.617 1.00 0.00 N ATOM 1196 CD2 HIS A 79 -15.267 -5.077 -13.088 1.00 0.00 C ATOM 1197 CE1 HIS A 79 -16.568 -5.978 -11.576 1.00 0.00 C ATOM 1198 NE2 HIS A 79 -15.320 -5.635 -11.834 1.00 0.00 N ATOM 0 H HIS A 79 -16.340 -2.003 -13.601 1.00 0.00 H new ATOM 0 HA HIS A 79 -17.691 -2.900 -16.011 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.941 -5.217 -15.167 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.313 -4.831 -15.687 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -14.385 -4.698 -13.582 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.920 -6.441 -10.666 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.526 -5.763 -11.206 1.00 0.00 H new ATOM 1207 N HIS A 80 -19.807 -2.744 -14.676 1.00 0.00 N ATOM 1208 CA HIS A 80 -21.028 -2.493 -13.914 1.00 0.00 C ATOM 1209 C HIS A 80 -22.120 -3.445 -14.374 1.00 0.00 C ATOM 1210 O HIS A 80 -22.553 -4.321 -13.625 1.00 0.00 O ATOM 1211 CB HIS A 80 -21.511 -1.044 -14.082 1.00 0.00 C ATOM 1212 CG HIS A 80 -20.517 -0.006 -13.656 1.00 0.00 C ATOM 1213 ND1 HIS A 80 -20.459 0.517 -12.379 1.00 0.00 N ATOM 1214 CD2 HIS A 80 -19.536 0.614 -14.354 1.00 0.00 C ATOM 1215 CE1 HIS A 80 -19.487 1.409 -12.314 1.00 0.00 C ATOM 1216 NE2 HIS A 80 -18.912 1.485 -13.499 1.00 0.00 N ATOM 0 H HIS A 80 -19.948 -2.834 -15.682 1.00 0.00 H new ATOM 0 HA HIS A 80 -20.805 -2.657 -12.860 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -21.765 -0.878 -15.129 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -22.427 -0.910 -13.506 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -19.290 0.452 -15.393 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.210 1.979 -11.440 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -18.130 2.093 -13.740 1.00 0.00 H new ATOM 1225 N HIS A 81 -22.542 -3.267 -15.617 1.00 0.00 N ATOM 1226 CA HIS A 81 -23.552 -4.112 -16.228 1.00 0.00 C ATOM 1227 C HIS A 81 -23.635 -3.796 -17.714 1.00 0.00 C ATOM 1228 O HIS A 81 -24.463 -2.944 -18.096 1.00 0.00 O ATOM 1229 CB HIS A 81 -24.918 -3.909 -15.554 1.00 0.00 C ATOM 1230 CG HIS A 81 -26.013 -4.750 -16.140 1.00 0.00 C ATOM 1231 ND1 HIS A 81 -25.925 -6.117 -16.279 1.00 0.00 N ATOM 1232 CD2 HIS A 81 -27.233 -4.405 -16.613 1.00 0.00 C ATOM 1233 CE1 HIS A 81 -27.036 -6.576 -16.823 1.00 0.00 C ATOM 1234 NE2 HIS A 81 -27.848 -5.557 -17.032 1.00 0.00 N ATOM 1235 OXT HIS A 81 -22.842 -4.371 -18.483 1.00 0.00 O ATOM 0 H HIS A 81 -22.192 -2.531 -16.230 1.00 0.00 H new ATOM 0 HA HIS A 81 -23.271 -5.157 -16.095 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -24.826 -4.137 -14.492 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -25.198 -2.859 -15.631 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -27.646 -3.408 -16.653 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -27.245 -7.609 -17.057 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -28.781 -5.616 -17.439 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 10.424 13.589 -8.577 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -3.315 -12.263 10.506 1.00 0.00 ZN