USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 69 SER OG : rot 75:sc= 1.58 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.928 USER MOD Set 2.1: A 45 MET CE :methyl 145:sc= -0.306 (180deg=-2.32!) USER MOD Set 2.2: A 60 MET CE :methyl -157:sc= -1.24 (180deg=-3.92!) USER MOD Set 2.3: B 153 MET CE :methyl 180:sc= -2.65! (180deg=-2.65!) USER MOD Set 3.1: A 18 ASN : amide:sc= 1.13 K(o=2.2,f=-7.4!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -130:sc= 1.03 (180deg=0) USER MOD Set 4.1: A 5 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.2: A 86 LYS NZ :NH3+ 156:sc= 2.01 (180deg=0.154) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.0101 (180deg=-0.215) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 2.11 (180deg=2.02) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.692 K(o=-0.69,f=-5.5!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.17) USER MOD Single : A 35 CYS SG : rot -53:sc= 0.322 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.13 (180deg=1.03) USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 0.995 (180deg=-0.0792) USER MOD Single : A 47 MET CE :methyl -170:sc= 0 (180deg=-0.119) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 51 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 149:sc= -2.01! USER MOD Single : A 58 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.54) USER MOD Single : A 80 MET CE :methyl -140:sc= -0.755 (180deg=-2.01) USER MOD Single : A 81 MET CE :methyl -166:sc= 0 (180deg=-0.0559) USER MOD Single : A 84 CYS SG : rot -109:sc= -0.136 USER MOD Single : A 85 MET CE :methyl -152:sc= -0.443 (180deg=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SXK OAB : rot 170:sc= -0.108 USER MOD Single : B 149 SER OG : rot 180:sc= 0.0393 USER MOD Single : B 154 MET CE :methyl 153:sc= -1.92 (180deg=-2.8) USER MOD Single : B 155 GLN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.277 14.032 9.401 1.00 0.00 N ATOM 2 CA MET A 1 71.065 13.452 8.039 1.00 0.00 C ATOM 3 C MET A 1 71.543 11.994 7.998 1.00 0.00 C ATOM 4 O MET A 1 72.440 11.617 8.725 1.00 0.00 O ATOM 5 CB MET A 1 71.911 14.320 7.098 1.00 0.00 C ATOM 6 CG MET A 1 71.153 14.558 5.789 1.00 0.00 C ATOM 7 SD MET A 1 69.707 15.601 6.107 1.00 0.00 S ATOM 8 CE MET A 1 69.668 16.432 4.500 1.00 0.00 C ATOM 0 H1 MET A 1 70.584 14.789 9.568 1.00 0.00 H new ATOM 0 H2 MET A 1 71.156 13.288 10.118 1.00 0.00 H new ATOM 0 H3 MET A 1 72.239 14.422 9.466 1.00 0.00 H new ATOM 0 HA MET A 1 70.013 13.448 7.755 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.139 15.273 7.575 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.863 13.830 6.894 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.807 15.037 5.060 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.840 13.606 5.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.836 17.136 4.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 70.603 16.970 4.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.541 15.691 3.710 1.00 0.00 H new ATOM 20 N ASP A 2 70.945 11.183 7.149 1.00 0.00 N ATOM 21 CA ASP A 2 71.343 9.737 7.025 1.00 0.00 C ATOM 22 C ASP A 2 71.187 8.987 8.365 1.00 0.00 C ATOM 23 O ASP A 2 70.199 8.311 8.587 1.00 0.00 O ATOM 24 CB ASP A 2 72.810 9.757 6.558 1.00 0.00 C ATOM 25 CG ASP A 2 73.358 8.328 6.491 1.00 0.00 C ATOM 26 OD1 ASP A 2 72.759 7.511 5.812 1.00 0.00 O ATOM 27 OD2 ASP A 2 74.370 8.075 7.123 1.00 0.00 O ATOM 0 H ASP A 2 70.187 11.466 6.528 1.00 0.00 H new ATOM 0 HA ASP A 2 70.703 9.206 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 2 72.882 10.229 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 2 73.411 10.354 7.244 1.00 0.00 H new ATOM 32 N ASP A 3 72.154 9.093 9.249 1.00 0.00 N ATOM 33 CA ASP A 3 72.071 8.381 10.566 1.00 0.00 C ATOM 34 C ASP A 3 70.802 8.779 11.334 1.00 0.00 C ATOM 35 O ASP A 3 70.239 7.980 12.058 1.00 0.00 O ATOM 36 CB ASP A 3 73.323 8.817 11.336 1.00 0.00 C ATOM 37 CG ASP A 3 74.519 7.981 10.881 1.00 0.00 C ATOM 38 OD1 ASP A 3 74.519 6.788 11.142 1.00 0.00 O ATOM 39 OD2 ASP A 3 75.412 8.544 10.273 1.00 0.00 O ATOM 0 H ASP A 3 73.001 9.645 9.113 1.00 0.00 H new ATOM 0 HA ASP A 3 72.023 7.300 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 3 73.519 9.875 11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 3 73.166 8.693 12.407 1.00 0.00 H new ATOM 44 N ILE A 4 70.347 10.003 11.184 1.00 0.00 N ATOM 45 CA ILE A 4 69.113 10.441 11.914 1.00 0.00 C ATOM 46 C ILE A 4 67.932 9.507 11.587 1.00 0.00 C ATOM 47 O ILE A 4 67.183 9.120 12.463 1.00 0.00 O ATOM 48 CB ILE A 4 68.845 11.884 11.452 1.00 0.00 C ATOM 49 CG1 ILE A 4 67.772 12.508 12.349 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.369 11.911 9.996 1.00 0.00 C ATOM 51 CD1 ILE A 4 68.402 12.932 13.678 1.00 0.00 C ATOM 0 H ILE A 4 70.775 10.714 10.591 1.00 0.00 H new ATOM 0 HA ILE A 4 69.240 10.398 12.996 1.00 0.00 H new ATOM 0 HB ILE A 4 69.773 12.452 11.523 1.00 0.00 H new ATOM 0 HG12 ILE A 4 67.326 13.371 11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 4 66.970 11.792 12.527 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.186 12.942 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 4 69.135 11.474 9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 4 67.447 11.337 9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 4 67.639 13.376 14.317 1.00 0.00 H new ATOM 0 HD12 ILE A 4 68.827 12.059 14.174 1.00 0.00 H new ATOM 0 HD13 ILE A 4 69.189 13.663 13.491 1.00 0.00 H new ATOM 63 N TYR A 5 67.782 9.122 10.342 1.00 0.00 N ATOM 64 CA TYR A 5 66.672 8.190 9.970 1.00 0.00 C ATOM 65 C TYR A 5 67.113 6.744 10.237 1.00 0.00 C ATOM 66 O TYR A 5 66.312 5.897 10.582 1.00 0.00 O ATOM 67 CB TYR A 5 66.430 8.411 8.471 1.00 0.00 C ATOM 68 CG TYR A 5 65.874 9.797 8.238 1.00 0.00 C ATOM 69 CD1 TYR A 5 64.694 10.201 8.874 1.00 0.00 C ATOM 70 CD2 TYR A 5 66.548 10.682 7.388 1.00 0.00 C ATOM 71 CE1 TYR A 5 64.189 11.490 8.659 1.00 0.00 C ATOM 72 CE2 TYR A 5 66.043 11.968 7.172 1.00 0.00 C ATOM 73 CZ TYR A 5 64.864 12.373 7.808 1.00 0.00 C ATOM 74 OH TYR A 5 64.369 13.645 7.597 1.00 0.00 O ATOM 0 H TYR A 5 68.380 9.413 9.569 1.00 0.00 H new ATOM 0 HA TYR A 5 65.765 8.372 10.547 1.00 0.00 H new ATOM 0 HB2 TYR A 5 67.363 8.287 7.921 1.00 0.00 H new ATOM 0 HB3 TYR A 5 65.734 7.662 8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 5 64.173 9.519 9.530 1.00 0.00 H new ATOM 0 HD2 TYR A 5 67.459 10.371 6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 5 63.279 11.802 9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 5 66.563 12.649 6.514 1.00 0.00 H new ATOM 0 HH TYR A 5 64.959 14.127 6.981 1.00 0.00 H new ATOM 84 N LYS A 6 68.389 6.467 10.084 1.00 0.00 N ATOM 85 CA LYS A 6 68.914 5.085 10.332 1.00 0.00 C ATOM 86 C LYS A 6 68.639 4.661 11.780 1.00 0.00 C ATOM 87 O LYS A 6 68.188 3.561 12.035 1.00 0.00 O ATOM 88 CB LYS A 6 70.422 5.191 10.092 1.00 0.00 C ATOM 89 CG LYS A 6 70.874 4.079 9.145 1.00 0.00 C ATOM 90 CD LYS A 6 72.398 4.137 8.987 1.00 0.00 C ATOM 91 CE LYS A 6 72.786 5.356 8.141 1.00 0.00 C ATOM 92 NZ LYS A 6 74.182 5.682 8.549 1.00 0.00 N ATOM 0 H LYS A 6 69.094 7.146 9.796 1.00 0.00 H new ATOM 0 HA LYS A 6 68.442 4.344 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.664 6.165 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.957 5.115 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.574 3.107 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 6 70.392 4.194 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.872 4.197 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.759 3.224 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.729 5.131 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.115 6.195 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.487 6.556 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.220 5.815 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 74.814 4.902 8.277 1.00 0.00 H new ATOM 106 N ALA A 7 68.907 5.532 12.725 1.00 0.00 N ATOM 107 CA ALA A 7 68.660 5.197 14.164 1.00 0.00 C ATOM 108 C ALA A 7 67.205 4.746 14.359 1.00 0.00 C ATOM 109 O ALA A 7 66.935 3.785 15.051 1.00 0.00 O ATOM 110 CB ALA A 7 68.929 6.496 14.931 1.00 0.00 C ATOM 0 H ALA A 7 69.288 6.464 12.560 1.00 0.00 H new ATOM 0 HA ALA A 7 69.295 4.383 14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.768 6.330 15.996 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.959 6.810 14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.251 7.273 14.579 1.00 0.00 H new ATOM 116 N ALA A 8 66.272 5.429 13.738 1.00 0.00 N ATOM 117 CA ALA A 8 64.833 5.039 13.870 1.00 0.00 C ATOM 118 C ALA A 8 64.588 3.671 13.216 1.00 0.00 C ATOM 119 O ALA A 8 63.852 2.854 13.734 1.00 0.00 O ATOM 120 CB ALA A 8 64.056 6.134 13.133 1.00 0.00 C ATOM 0 H ALA A 8 66.446 6.240 13.145 1.00 0.00 H new ATOM 0 HA ALA A 8 64.525 4.950 14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.988 5.920 13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.256 7.099 13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.370 6.164 12.090 1.00 0.00 H new ATOM 126 N VAL A 9 65.205 3.418 12.085 1.00 0.00 N ATOM 127 CA VAL A 9 65.017 2.100 11.389 1.00 0.00 C ATOM 128 C VAL A 9 65.489 0.948 12.286 1.00 0.00 C ATOM 129 O VAL A 9 64.859 -0.089 12.360 1.00 0.00 O ATOM 130 CB VAL A 9 65.888 2.176 10.126 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.799 0.854 9.358 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.400 3.313 9.225 1.00 0.00 C ATOM 0 H VAL A 9 65.832 4.068 11.612 1.00 0.00 H new ATOM 0 HA VAL A 9 63.969 1.915 11.152 1.00 0.00 H new ATOM 0 HB VAL A 9 66.921 2.362 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 9 66.418 0.911 8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.152 0.041 9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.764 0.668 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 9 66.022 3.361 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 9 64.365 3.130 8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 9 65.465 4.258 9.764 1.00 0.00 H new ATOM 142 N GLU A 10 66.598 1.124 12.959 1.00 0.00 N ATOM 143 CA GLU A 10 67.126 0.044 13.848 1.00 0.00 C ATOM 144 C GLU A 10 66.386 0.027 15.193 1.00 0.00 C ATOM 145 O GLU A 10 66.024 -1.023 15.693 1.00 0.00 O ATOM 146 CB GLU A 10 68.602 0.391 14.048 1.00 0.00 C ATOM 147 CG GLU A 10 69.390 0.006 12.794 1.00 0.00 C ATOM 148 CD GLU A 10 70.706 0.786 12.756 1.00 0.00 C ATOM 149 OE1 GLU A 10 71.635 0.375 13.431 1.00 0.00 O ATOM 150 OE2 GLU A 10 70.763 1.780 12.050 1.00 0.00 O ATOM 0 H GLU A 10 67.163 1.973 12.931 1.00 0.00 H new ATOM 0 HA GLU A 10 66.989 -0.946 13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.712 1.457 14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.997 -0.138 14.915 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.590 -1.065 12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 10 68.802 0.221 11.902 1.00 0.00 H new ATOM 157 N GLN A 11 66.163 1.176 15.785 1.00 0.00 N ATOM 158 CA GLN A 11 65.454 1.217 17.105 1.00 0.00 C ATOM 159 C GLN A 11 63.929 1.329 16.923 1.00 0.00 C ATOM 160 O GLN A 11 63.259 2.018 17.669 1.00 0.00 O ATOM 161 CB GLN A 11 66.007 2.459 17.816 1.00 0.00 C ATOM 162 CG GLN A 11 67.024 2.035 18.883 1.00 0.00 C ATOM 163 CD GLN A 11 68.443 2.354 18.403 1.00 0.00 C ATOM 164 OE1 GLN A 11 68.992 1.649 17.580 1.00 0.00 O ATOM 165 NE2 GLN A 11 69.066 3.392 18.887 1.00 0.00 N ATOM 0 H GLN A 11 66.440 2.085 15.413 1.00 0.00 H new ATOM 0 HA GLN A 11 65.622 0.304 17.677 1.00 0.00 H new ATOM 0 HB2 GLN A 11 66.480 3.123 17.093 1.00 0.00 H new ATOM 0 HB3 GLN A 11 65.193 3.018 18.278 1.00 0.00 H new ATOM 0 HG2 GLN A 11 66.821 2.556 19.819 1.00 0.00 H new ATOM 0 HG3 GLN A 11 66.930 0.968 19.085 1.00 0.00 H new ATOM 0 HE21 GLN A 11 68.607 3.986 19.578 1.00 0.00 H new ATOM 0 HE22 GLN A 11 70.012 3.610 18.574 1.00 0.00 H new ATOM 174 N LEU A 12 63.369 0.644 15.952 1.00 0.00 N ATOM 175 CA LEU A 12 61.887 0.709 15.751 1.00 0.00 C ATOM 176 C LEU A 12 61.184 -0.192 16.775 1.00 0.00 C ATOM 177 O LEU A 12 61.635 -1.288 17.058 1.00 0.00 O ATOM 178 CB LEU A 12 61.644 0.198 14.325 1.00 0.00 C ATOM 179 CG LEU A 12 61.141 1.345 13.448 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.336 0.983 11.976 1.00 0.00 C ATOM 181 CD2 LEU A 12 59.653 1.585 13.720 1.00 0.00 C ATOM 0 H LEU A 12 63.871 0.047 15.295 1.00 0.00 H new ATOM 0 HA LEU A 12 61.496 1.718 15.885 1.00 0.00 H new ATOM 0 HB2 LEU A 12 62.566 -0.211 13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.914 -0.611 14.337 1.00 0.00 H new ATOM 0 HG LEU A 12 61.702 2.250 13.679 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.978 1.800 11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.395 0.813 11.780 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.775 0.077 11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.296 2.403 13.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.091 0.680 13.490 1.00 0.00 H new ATOM 0 HD23 LEU A 12 59.512 1.843 14.770 1.00 0.00 H new ATOM 193 N THR A 13 60.090 0.260 17.339 1.00 0.00 N ATOM 194 CA THR A 13 59.365 -0.573 18.355 1.00 0.00 C ATOM 195 C THR A 13 58.705 -1.791 17.709 1.00 0.00 C ATOM 196 O THR A 13 58.549 -1.869 16.504 1.00 0.00 O ATOM 197 CB THR A 13 58.316 0.346 18.981 1.00 0.00 C ATOM 198 OG1 THR A 13 57.704 -0.331 20.070 1.00 0.00 O ATOM 199 CG2 THR A 13 57.258 0.716 17.942 1.00 0.00 C ATOM 0 H THR A 13 59.667 1.167 17.142 1.00 0.00 H new ATOM 0 HA THR A 13 60.054 -0.963 19.104 1.00 0.00 H new ATOM 0 HB THR A 13 58.794 1.260 19.334 1.00 0.00 H new ATOM 0 HG1 THR A 13 57.030 0.251 20.480 1.00 0.00 H new ATOM 0 HG21 THR A 13 56.515 1.371 18.397 1.00 0.00 H new ATOM 0 HG22 THR A 13 57.733 1.231 17.107 1.00 0.00 H new ATOM 0 HG23 THR A 13 56.771 -0.190 17.580 1.00 0.00 H new ATOM 207 N GLU A 14 58.325 -2.746 18.517 1.00 0.00 N ATOM 208 CA GLU A 14 57.681 -3.985 17.983 1.00 0.00 C ATOM 209 C GLU A 14 56.358 -3.654 17.277 1.00 0.00 C ATOM 210 O GLU A 14 56.006 -4.268 16.289 1.00 0.00 O ATOM 211 CB GLU A 14 57.426 -4.864 19.212 1.00 0.00 C ATOM 212 CG GLU A 14 57.395 -6.337 18.796 1.00 0.00 C ATOM 213 CD GLU A 14 57.200 -7.215 20.033 1.00 0.00 C ATOM 214 OE1 GLU A 14 56.060 -7.431 20.409 1.00 0.00 O ATOM 215 OE2 GLU A 14 58.196 -7.657 20.585 1.00 0.00 O ATOM 0 H GLU A 14 58.433 -2.721 19.531 1.00 0.00 H new ATOM 0 HA GLU A 14 58.311 -4.482 17.245 1.00 0.00 H new ATOM 0 HB2 GLU A 14 58.207 -4.702 19.955 1.00 0.00 H new ATOM 0 HB3 GLU A 14 56.480 -4.588 19.679 1.00 0.00 H new ATOM 0 HG2 GLU A 14 56.586 -6.508 18.085 1.00 0.00 H new ATOM 0 HG3 GLU A 14 58.324 -6.603 18.292 1.00 0.00 H new ATOM 222 N GLU A 15 55.625 -2.691 17.780 1.00 0.00 N ATOM 223 CA GLU A 15 54.319 -2.314 17.147 1.00 0.00 C ATOM 224 C GLU A 15 54.518 -1.933 15.674 1.00 0.00 C ATOM 225 O GLU A 15 53.734 -2.302 14.821 1.00 0.00 O ATOM 226 CB GLU A 15 53.816 -1.108 17.948 1.00 0.00 C ATOM 227 CG GLU A 15 53.357 -1.566 19.338 1.00 0.00 C ATOM 228 CD GLU A 15 54.438 -1.238 20.370 1.00 0.00 C ATOM 229 OE1 GLU A 15 54.462 -0.113 20.838 1.00 0.00 O ATOM 230 OE2 GLU A 15 55.229 -2.119 20.667 1.00 0.00 O ATOM 0 H GLU A 15 55.875 -2.146 18.605 1.00 0.00 H new ATOM 0 HA GLU A 15 53.609 -3.141 17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 54.609 -0.366 18.042 1.00 0.00 H new ATOM 0 HB3 GLU A 15 52.991 -0.628 17.422 1.00 0.00 H new ATOM 0 HG2 GLU A 15 52.423 -1.071 19.605 1.00 0.00 H new ATOM 0 HG3 GLU A 15 53.159 -2.638 19.332 1.00 0.00 H new ATOM 237 N GLN A 16 55.560 -1.197 15.370 1.00 0.00 N ATOM 238 CA GLN A 16 55.807 -0.792 13.950 1.00 0.00 C ATOM 239 C GLN A 16 56.597 -1.871 13.207 1.00 0.00 C ATOM 240 O GLN A 16 56.279 -2.229 12.090 1.00 0.00 O ATOM 241 CB GLN A 16 56.612 0.508 14.033 1.00 0.00 C ATOM 242 CG GLN A 16 55.720 1.633 14.568 1.00 0.00 C ATOM 243 CD GLN A 16 56.552 2.903 14.766 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.403 2.956 15.630 1.00 0.00 O ATOM 245 NE2 GLN A 16 56.340 3.935 13.998 1.00 0.00 N ATOM 0 H GLN A 16 56.249 -0.860 16.042 1.00 0.00 H new ATOM 0 HA GLN A 16 54.875 -0.657 13.401 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.474 0.372 14.686 1.00 0.00 H new ATOM 0 HB3 GLN A 16 56.997 0.773 13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 16 54.905 1.826 13.871 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.267 1.333 15.513 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.625 3.892 13.272 1.00 0.00 H new ATOM 0 HE22 GLN A 16 56.889 4.785 14.124 1.00 0.00 H new ATOM 254 N LYS A 17 57.619 -2.385 13.827 1.00 0.00 N ATOM 255 CA LYS A 17 58.454 -3.447 13.176 1.00 0.00 C ATOM 256 C LYS A 17 57.599 -4.676 12.840 1.00 0.00 C ATOM 257 O LYS A 17 57.657 -5.197 11.743 1.00 0.00 O ATOM 258 CB LYS A 17 59.531 -3.805 14.205 1.00 0.00 C ATOM 259 CG LYS A 17 60.845 -4.112 13.480 1.00 0.00 C ATOM 260 CD LYS A 17 61.958 -3.219 14.035 1.00 0.00 C ATOM 261 CE LYS A 17 62.694 -3.951 15.161 1.00 0.00 C ATOM 262 NZ LYS A 17 63.534 -2.905 15.814 1.00 0.00 N ATOM 0 H LYS A 17 57.920 -2.117 14.764 1.00 0.00 H new ATOM 0 HA LYS A 17 58.889 -3.102 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.672 -2.979 14.903 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.216 -4.668 14.792 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.108 -5.162 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.729 -3.943 12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.657 -2.957 13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.536 -2.286 14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.993 -4.394 15.869 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.307 -4.763 14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.169 -3.352 16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.099 -2.413 15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.920 -2.220 16.299 1.00 0.00 H new ATOM 276 N ASN A 18 56.802 -5.134 13.773 1.00 0.00 N ATOM 277 CA ASN A 18 55.936 -6.323 13.506 1.00 0.00 C ATOM 278 C ASN A 18 54.855 -5.978 12.469 1.00 0.00 C ATOM 279 O ASN A 18 54.415 -6.828 11.719 1.00 0.00 O ATOM 280 CB ASN A 18 55.303 -6.671 14.857 1.00 0.00 C ATOM 281 CG ASN A 18 54.897 -8.145 14.866 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.683 -9.005 14.524 1.00 0.00 O ATOM 283 ND2 ASN A 18 53.697 -8.479 15.245 1.00 0.00 N ATOM 0 H ASN A 18 56.714 -4.736 14.708 1.00 0.00 H new ATOM 0 HA ASN A 18 56.503 -7.160 13.099 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.009 -6.473 15.663 1.00 0.00 H new ATOM 0 HB3 ASN A 18 54.431 -6.042 15.035 1.00 0.00 H new ATOM 0 HD21 ASN A 18 53.420 -9.461 15.254 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.034 -7.759 15.533 1.00 0.00 H new ATOM 290 N GLU A 19 54.432 -4.737 12.414 1.00 0.00 N ATOM 291 CA GLU A 19 53.393 -4.335 11.421 1.00 0.00 C ATOM 292 C GLU A 19 54.010 -4.278 10.012 1.00 0.00 C ATOM 293 O GLU A 19 53.424 -4.742 9.051 1.00 0.00 O ATOM 294 CB GLU A 19 52.928 -2.947 11.887 1.00 0.00 C ATOM 295 CG GLU A 19 52.291 -2.188 10.720 1.00 0.00 C ATOM 296 CD GLU A 19 51.885 -0.783 11.174 1.00 0.00 C ATOM 297 OE1 GLU A 19 50.806 -0.649 11.727 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.659 0.134 10.956 1.00 0.00 O ATOM 0 H GLU A 19 54.765 -3.985 13.018 1.00 0.00 H new ATOM 0 HA GLU A 19 52.562 -5.038 11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.209 -3.049 12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.775 -2.384 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.994 -2.123 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.418 -2.729 10.356 1.00 0.00 H new ATOM 305 N PHE A 20 55.189 -3.718 9.887 1.00 0.00 N ATOM 306 CA PHE A 20 55.846 -3.633 8.544 1.00 0.00 C ATOM 307 C PHE A 20 56.368 -5.006 8.106 1.00 0.00 C ATOM 308 O PHE A 20 56.325 -5.341 6.939 1.00 0.00 O ATOM 309 CB PHE A 20 57.004 -2.644 8.717 1.00 0.00 C ATOM 310 CG PHE A 20 56.455 -1.244 8.884 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.409 -0.795 8.066 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.988 -0.398 9.864 1.00 0.00 C ATOM 313 CE1 PHE A 20 54.897 0.496 8.232 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.477 0.893 10.026 1.00 0.00 C ATOM 315 CZ PHE A 20 55.431 1.341 9.211 1.00 0.00 C ATOM 0 H PHE A 20 55.725 -3.316 10.656 1.00 0.00 H new ATOM 0 HA PHE A 20 55.147 -3.306 7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.602 -2.917 9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.664 -2.686 7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 20 54.999 -1.446 7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.794 -0.743 10.495 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.089 0.841 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 20 56.890 1.546 10.781 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.036 2.338 9.338 1.00 0.00 H new ATOM 325 N LYS A 21 56.853 -5.809 9.026 1.00 0.00 N ATOM 326 CA LYS A 21 57.362 -7.161 8.636 1.00 0.00 C ATOM 327 C LYS A 21 56.211 -8.024 8.083 1.00 0.00 C ATOM 328 O LYS A 21 56.415 -8.852 7.217 1.00 0.00 O ATOM 329 CB LYS A 21 57.973 -7.763 9.916 1.00 0.00 C ATOM 330 CG LYS A 21 56.885 -8.377 10.805 1.00 0.00 C ATOM 331 CD LYS A 21 56.852 -9.892 10.598 1.00 0.00 C ATOM 332 CE LYS A 21 55.687 -10.496 11.390 1.00 0.00 C ATOM 333 NZ LYS A 21 56.275 -10.915 12.697 1.00 0.00 N ATOM 0 H LYS A 21 56.917 -5.588 10.020 1.00 0.00 H new ATOM 0 HA LYS A 21 58.109 -7.110 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.705 -8.526 9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 21 58.506 -6.989 10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.083 -8.147 11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.914 -7.945 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 21 56.742 -10.122 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 21 57.794 -10.334 10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 21 54.889 -9.767 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 21 55.252 -11.346 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 56.003 -11.898 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.312 -10.845 12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 55.920 -10.294 13.452 1.00 0.00 H new ATOM 347 N ALA A 22 55.002 -7.813 8.559 1.00 0.00 N ATOM 348 CA ALA A 22 53.833 -8.598 8.043 1.00 0.00 C ATOM 349 C ALA A 22 53.407 -8.048 6.674 1.00 0.00 C ATOM 350 O ALA A 22 52.944 -8.774 5.817 1.00 0.00 O ATOM 351 CB ALA A 22 52.723 -8.397 9.079 1.00 0.00 C ATOM 0 H ALA A 22 54.776 -7.130 9.283 1.00 0.00 H new ATOM 0 HA ALA A 22 54.065 -9.654 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.832 -8.944 8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 22 53.058 -8.768 10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.488 -7.336 9.159 1.00 0.00 H new ATOM 357 N ALA A 23 53.580 -6.766 6.463 1.00 0.00 N ATOM 358 CA ALA A 23 53.213 -6.156 5.149 1.00 0.00 C ATOM 359 C ALA A 23 54.378 -6.294 4.151 1.00 0.00 C ATOM 360 O ALA A 23 54.234 -6.004 2.980 1.00 0.00 O ATOM 361 CB ALA A 23 52.952 -4.681 5.463 1.00 0.00 C ATOM 0 H ALA A 23 53.961 -6.114 7.148 1.00 0.00 H new ATOM 0 HA ALA A 23 52.348 -6.641 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.675 -4.158 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.141 -4.601 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 23 53.854 -4.232 5.879 1.00 0.00 H new ATOM 367 N PHE A 24 55.531 -6.733 4.607 1.00 0.00 N ATOM 368 CA PHE A 24 56.699 -6.884 3.687 1.00 0.00 C ATOM 369 C PHE A 24 56.689 -8.275 3.033 1.00 0.00 C ATOM 370 O PHE A 24 56.767 -8.392 1.824 1.00 0.00 O ATOM 371 CB PHE A 24 57.933 -6.698 4.581 1.00 0.00 C ATOM 372 CG PHE A 24 59.183 -7.056 3.808 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.713 -6.156 2.877 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.806 -8.291 4.021 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.867 -6.489 2.158 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.960 -8.626 3.301 1.00 0.00 C ATOM 377 CZ PHE A 24 61.491 -7.725 2.370 1.00 0.00 C ATOM 0 H PHE A 24 55.710 -6.992 5.577 1.00 0.00 H new ATOM 0 HA PHE A 24 56.682 -6.162 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.991 -5.666 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.850 -7.327 5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.231 -5.203 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.397 -8.985 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.276 -5.793 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.440 -9.580 3.464 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.381 -7.983 1.816 1.00 0.00 H new ATOM 387 N ASP A 25 56.590 -9.328 3.816 1.00 0.00 N ATOM 388 CA ASP A 25 56.573 -10.705 3.220 1.00 0.00 C ATOM 389 C ASP A 25 55.369 -10.864 2.274 1.00 0.00 C ATOM 390 O ASP A 25 55.467 -11.502 1.244 1.00 0.00 O ATOM 391 CB ASP A 25 56.499 -11.680 4.410 1.00 0.00 C ATOM 392 CG ASP A 25 55.090 -11.702 5.008 1.00 0.00 C ATOM 393 OD1 ASP A 25 54.791 -10.824 5.795 1.00 0.00 O ATOM 394 OD2 ASP A 25 54.339 -12.601 4.670 1.00 0.00 O ATOM 0 H ASP A 25 56.521 -9.293 4.833 1.00 0.00 H new ATOM 0 HA ASP A 25 57.460 -10.902 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.776 -12.682 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.218 -11.384 5.174 1.00 0.00 H new ATOM 399 N ILE A 26 54.243 -10.270 2.599 1.00 0.00 N ATOM 400 CA ILE A 26 53.053 -10.373 1.692 1.00 0.00 C ATOM 401 C ILE A 26 53.315 -9.561 0.415 1.00 0.00 C ATOM 402 O ILE A 26 52.897 -9.934 -0.665 1.00 0.00 O ATOM 403 CB ILE A 26 51.876 -9.789 2.488 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.554 -10.716 3.667 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.640 -9.670 1.583 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.464 -10.087 4.543 1.00 0.00 C ATOM 0 H ILE A 26 54.097 -9.722 3.447 1.00 0.00 H new ATOM 0 HA ILE A 26 52.845 -11.398 1.386 1.00 0.00 H new ATOM 0 HB ILE A 26 52.147 -8.800 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 26 51.221 -11.686 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 26 52.452 -10.891 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.809 -9.255 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.866 -9.014 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.366 -10.657 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.240 -10.751 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.813 -9.128 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.563 -9.935 3.949 1.00 0.00 H new ATOM 418 N PHE A 27 54.019 -8.459 0.534 1.00 0.00 N ATOM 419 CA PHE A 27 54.331 -7.622 -0.667 1.00 0.00 C ATOM 420 C PHE A 27 55.175 -8.423 -1.668 1.00 0.00 C ATOM 421 O PHE A 27 54.932 -8.393 -2.859 1.00 0.00 O ATOM 422 CB PHE A 27 55.137 -6.433 -0.129 1.00 0.00 C ATOM 423 CG PHE A 27 54.639 -5.149 -0.748 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.716 -4.962 -2.134 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.103 -4.143 0.064 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.256 -3.771 -2.706 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.643 -2.950 -0.509 1.00 0.00 C ATOM 428 CZ PHE A 27 53.720 -2.765 -1.894 1.00 0.00 C ATOM 0 H PHE A 27 54.391 -8.103 1.414 1.00 0.00 H new ATOM 0 HA PHE A 27 53.428 -7.304 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.046 -6.383 0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.195 -6.569 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.131 -5.737 -2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.044 -4.286 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.315 -3.628 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.229 -2.174 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.366 -1.846 -2.336 1.00 0.00 H new ATOM 438 N VAL A 28 56.165 -9.138 -1.188 1.00 0.00 N ATOM 439 CA VAL A 28 57.036 -9.940 -2.109 1.00 0.00 C ATOM 440 C VAL A 28 56.417 -11.320 -2.411 1.00 0.00 C ATOM 441 O VAL A 28 57.104 -12.325 -2.422 1.00 0.00 O ATOM 442 CB VAL A 28 58.386 -10.087 -1.377 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.980 -8.702 -1.100 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.190 -10.823 -0.046 1.00 0.00 C ATOM 0 H VAL A 28 56.408 -9.202 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 28 57.152 -9.447 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 28 59.064 -10.659 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.933 -8.812 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.137 -8.178 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.293 -8.129 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.150 -10.920 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.503 -10.259 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.778 -11.814 -0.236 1.00 0.00 H new ATOM 454 N LEU A 29 55.130 -11.376 -2.675 1.00 0.00 N ATOM 455 CA LEU A 29 54.480 -12.689 -2.994 1.00 0.00 C ATOM 456 C LEU A 29 55.080 -13.264 -4.286 1.00 0.00 C ATOM 457 O LEU A 29 55.584 -14.370 -4.307 1.00 0.00 O ATOM 458 CB LEU A 29 52.988 -12.376 -3.176 1.00 0.00 C ATOM 459 CG LEU A 29 52.161 -13.271 -2.248 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.202 -12.414 -1.420 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.354 -14.264 -3.085 1.00 0.00 C ATOM 0 H LEU A 29 54.504 -10.571 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 29 54.635 -13.430 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.796 -11.327 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.695 -12.540 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 29 52.832 -13.811 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.616 -13.056 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 29 51.773 -11.704 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.532 -11.870 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.765 -14.901 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.687 -13.719 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.034 -14.880 -3.674 1.00 0.00 H new ATOM 473 N GLY A 30 55.049 -12.506 -5.355 1.00 0.00 N ATOM 474 CA GLY A 30 55.638 -12.985 -6.645 1.00 0.00 C ATOM 475 C GLY A 30 56.991 -12.298 -6.849 1.00 0.00 C ATOM 476 O GLY A 30 57.241 -11.689 -7.871 1.00 0.00 O ATOM 0 H GLY A 30 54.639 -11.572 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.763 -14.068 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 30 54.969 -12.756 -7.474 1.00 0.00 H new ATOM 480 N ALA A 31 57.858 -12.382 -5.869 1.00 0.00 N ATOM 481 CA ALA A 31 59.198 -11.726 -5.978 1.00 0.00 C ATOM 482 C ALA A 31 60.296 -12.755 -6.290 1.00 0.00 C ATOM 483 O ALA A 31 61.334 -12.404 -6.814 1.00 0.00 O ATOM 484 CB ALA A 31 59.435 -11.097 -4.603 1.00 0.00 C ATOM 0 H ALA A 31 57.694 -12.880 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 31 59.226 -10.994 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.401 -10.592 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.646 -10.374 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.426 -11.876 -3.840 1.00 0.00 H new ATOM 490 N GLU A 32 60.073 -14.014 -5.960 1.00 0.00 N ATOM 491 CA GLU A 32 61.090 -15.093 -6.218 1.00 0.00 C ATOM 492 C GLU A 32 62.352 -14.872 -5.367 1.00 0.00 C ATOM 493 O GLU A 32 62.631 -15.635 -4.462 1.00 0.00 O ATOM 494 CB GLU A 32 61.412 -15.032 -7.720 1.00 0.00 C ATOM 495 CG GLU A 32 60.427 -15.916 -8.493 1.00 0.00 C ATOM 496 CD GLU A 32 59.067 -15.216 -8.589 1.00 0.00 C ATOM 497 OE1 GLU A 32 58.892 -14.426 -9.501 1.00 0.00 O ATOM 498 OE2 GLU A 32 58.225 -15.484 -7.747 1.00 0.00 O ATOM 0 H GLU A 32 59.215 -14.342 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 32 60.704 -16.074 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 32 61.348 -14.003 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 32 62.434 -15.368 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 32 60.813 -16.119 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 32 60.317 -16.878 -7.992 1.00 0.00 H new ATOM 505 N ASP A 33 63.110 -13.839 -5.644 1.00 0.00 N ATOM 506 CA ASP A 33 64.348 -13.569 -4.846 1.00 0.00 C ATOM 507 C ASP A 33 63.994 -13.302 -3.375 1.00 0.00 C ATOM 508 O ASP A 33 64.694 -13.729 -2.476 1.00 0.00 O ATOM 509 CB ASP A 33 64.969 -12.324 -5.489 1.00 0.00 C ATOM 510 CG ASP A 33 65.759 -12.730 -6.734 1.00 0.00 C ATOM 511 OD1 ASP A 33 65.140 -12.922 -7.768 1.00 0.00 O ATOM 512 OD2 ASP A 33 66.968 -12.846 -6.631 1.00 0.00 O ATOM 0 H ASP A 33 62.924 -13.169 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 33 65.034 -14.416 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 33 64.188 -11.613 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 33 65.625 -11.823 -4.777 1.00 0.00 H new ATOM 517 N GLY A 34 62.912 -12.601 -3.125 1.00 0.00 N ATOM 518 CA GLY A 34 62.509 -12.308 -1.714 1.00 0.00 C ATOM 519 C GLY A 34 62.502 -10.792 -1.463 1.00 0.00 C ATOM 520 O GLY A 34 61.815 -10.311 -0.582 1.00 0.00 O ATOM 0 H GLY A 34 62.291 -12.220 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.519 -12.720 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 63.198 -12.794 -1.024 1.00 0.00 H new ATOM 524 N CYS A 35 63.262 -10.038 -2.222 1.00 0.00 N ATOM 525 CA CYS A 35 63.300 -8.553 -2.021 1.00 0.00 C ATOM 526 C CYS A 35 62.208 -7.867 -2.860 1.00 0.00 C ATOM 527 O CYS A 35 61.800 -8.370 -3.890 1.00 0.00 O ATOM 528 CB CYS A 35 64.696 -8.130 -2.493 1.00 0.00 C ATOM 529 SG CYS A 35 65.950 -8.843 -1.398 1.00 0.00 S ATOM 0 H CYS A 35 63.858 -10.387 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 35 63.116 -8.271 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.861 -8.464 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.776 -7.043 -2.495 1.00 0.00 H new ATOM 0 HG CYS A 35 65.668 -8.547 -0.164 1.00 0.00 H new ATOM 535 N ILE A 36 61.733 -6.721 -2.424 1.00 0.00 N ATOM 536 CA ILE A 36 60.663 -6.000 -3.193 1.00 0.00 C ATOM 537 C ILE A 36 61.211 -5.504 -4.539 1.00 0.00 C ATOM 538 O ILE A 36 62.235 -4.848 -4.603 1.00 0.00 O ATOM 539 CB ILE A 36 60.240 -4.815 -2.306 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.432 -5.337 -1.110 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.369 -3.844 -3.115 1.00 0.00 C ATOM 542 CD1 ILE A 36 59.303 -4.236 -0.048 1.00 0.00 C ATOM 0 H ILE A 36 62.039 -6.254 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 36 59.818 -6.651 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 36 61.131 -4.296 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.443 -5.655 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.922 -6.212 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.073 -3.007 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.936 -3.471 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.479 -4.363 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.729 -4.612 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 36 60.296 -3.939 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.793 -3.374 -0.478 1.00 0.00 H new ATOM 554 N SER A 37 60.524 -5.813 -5.611 1.00 0.00 N ATOM 555 CA SER A 37 60.981 -5.368 -6.966 1.00 0.00 C ATOM 556 C SER A 37 60.132 -4.186 -7.460 1.00 0.00 C ATOM 557 O SER A 37 59.132 -3.834 -6.859 1.00 0.00 O ATOM 558 CB SER A 37 60.780 -6.586 -7.867 1.00 0.00 C ATOM 559 OG SER A 37 61.458 -6.374 -9.098 1.00 0.00 O ATOM 0 H SER A 37 59.661 -6.357 -5.607 1.00 0.00 H new ATOM 0 HA SER A 37 62.017 -5.028 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.162 -7.482 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.717 -6.749 -8.047 1.00 0.00 H new ATOM 0 HG SER A 37 61.333 -7.154 -9.679 1.00 0.00 H new ATOM 565 N THR A 38 60.522 -3.572 -8.552 1.00 0.00 N ATOM 566 CA THR A 38 59.738 -2.409 -9.089 1.00 0.00 C ATOM 567 C THR A 38 58.371 -2.878 -9.605 1.00 0.00 C ATOM 568 O THR A 38 57.351 -2.310 -9.265 1.00 0.00 O ATOM 569 CB THR A 38 60.582 -1.827 -10.230 1.00 0.00 C ATOM 570 OG1 THR A 38 60.832 -2.833 -11.204 1.00 0.00 O ATOM 571 CG2 THR A 38 61.912 -1.313 -9.675 1.00 0.00 C ATOM 0 H THR A 38 61.348 -3.824 -9.095 1.00 0.00 H new ATOM 0 HA THR A 38 59.545 -1.662 -8.319 1.00 0.00 H new ATOM 0 HB THR A 38 60.039 -1.003 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.370 -2.457 -11.932 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.510 -0.900 -10.487 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.721 -0.537 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.454 -2.136 -9.208 1.00 0.00 H new ATOM 579 N LYS A 39 58.338 -3.919 -10.407 1.00 0.00 N ATOM 580 CA LYS A 39 57.026 -4.433 -10.922 1.00 0.00 C ATOM 581 C LYS A 39 56.156 -4.877 -9.740 1.00 0.00 C ATOM 582 O LYS A 39 54.957 -4.666 -9.724 1.00 0.00 O ATOM 583 CB LYS A 39 57.375 -5.630 -11.819 1.00 0.00 C ATOM 584 CG LYS A 39 56.538 -5.574 -13.103 1.00 0.00 C ATOM 585 CD LYS A 39 55.076 -5.911 -12.786 1.00 0.00 C ATOM 586 CE LYS A 39 54.183 -4.717 -13.143 1.00 0.00 C ATOM 587 NZ LYS A 39 53.252 -4.564 -11.987 1.00 0.00 N ATOM 0 H LYS A 39 59.159 -4.433 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 39 56.469 -3.676 -11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.437 -5.616 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.183 -6.563 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.604 -4.581 -13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.932 -6.278 -13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 39 54.765 -6.791 -13.349 1.00 0.00 H new ATOM 0 HD3 LYS A 39 54.969 -6.154 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 39 54.775 -3.814 -13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 39 53.636 -4.898 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 52.727 -3.671 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 52.582 -5.359 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 53.797 -4.555 -11.101 1.00 0.00 H new ATOM 601 N GLU A 40 56.769 -5.470 -8.744 1.00 0.00 N ATOM 602 CA GLU A 40 56.016 -5.919 -7.533 1.00 0.00 C ATOM 603 C GLU A 40 55.429 -4.697 -6.813 1.00 0.00 C ATOM 604 O GLU A 40 54.266 -4.673 -6.453 1.00 0.00 O ATOM 605 CB GLU A 40 57.074 -6.608 -6.668 1.00 0.00 C ATOM 606 CG GLU A 40 56.425 -7.218 -5.425 1.00 0.00 C ATOM 607 CD GLU A 40 57.467 -7.306 -4.311 1.00 0.00 C ATOM 608 OE1 GLU A 40 58.410 -8.065 -4.468 1.00 0.00 O ATOM 609 OE2 GLU A 40 57.311 -6.608 -3.324 1.00 0.00 O ATOM 0 H GLU A 40 57.770 -5.664 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 40 55.182 -6.582 -7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 40 57.575 -7.386 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.837 -5.888 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 40 55.581 -6.608 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.033 -8.209 -5.653 1.00 0.00 H new ATOM 616 N LEU A 41 56.227 -3.675 -6.627 1.00 0.00 N ATOM 617 CA LEU A 41 55.733 -2.433 -5.959 1.00 0.00 C ATOM 618 C LEU A 41 54.669 -1.770 -6.845 1.00 0.00 C ATOM 619 O LEU A 41 53.545 -1.561 -6.432 1.00 0.00 O ATOM 620 CB LEU A 41 56.977 -1.540 -5.845 1.00 0.00 C ATOM 621 CG LEU A 41 56.796 -0.460 -4.767 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.332 -0.021 -4.659 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.260 -1.011 -3.417 1.00 0.00 C ATOM 0 H LEU A 41 57.206 -3.648 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 41 55.275 -2.619 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.846 -2.153 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.176 -1.067 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 41 57.393 0.408 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.237 0.744 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.003 0.385 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.713 -0.879 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.133 -0.248 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 41 56.666 -1.888 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.312 -1.291 -3.480 1.00 0.00 H new ATOM 635 N GLY A 42 55.036 -1.441 -8.061 1.00 0.00 N ATOM 636 CA GLY A 42 54.081 -0.787 -9.018 1.00 0.00 C ATOM 637 C GLY A 42 52.727 -1.519 -9.043 1.00 0.00 C ATOM 638 O GLY A 42 51.695 -0.901 -9.224 1.00 0.00 O ATOM 0 H GLY A 42 55.970 -1.600 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.929 0.253 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.512 -0.781 -10.019 1.00 0.00 H new ATOM 642 N LYS A 43 52.715 -2.821 -8.861 1.00 0.00 N ATOM 643 CA LYS A 43 51.413 -3.569 -8.869 1.00 0.00 C ATOM 644 C LYS A 43 50.481 -3.026 -7.773 1.00 0.00 C ATOM 645 O LYS A 43 49.281 -2.938 -7.957 1.00 0.00 O ATOM 646 CB LYS A 43 51.777 -5.032 -8.586 1.00 0.00 C ATOM 647 CG LYS A 43 50.760 -5.956 -9.267 1.00 0.00 C ATOM 648 CD LYS A 43 49.654 -6.323 -8.273 1.00 0.00 C ATOM 649 CE LYS A 43 48.319 -6.464 -9.015 1.00 0.00 C ATOM 650 NZ LYS A 43 47.754 -5.082 -9.087 1.00 0.00 N ATOM 0 H LYS A 43 53.544 -3.395 -8.708 1.00 0.00 H new ATOM 0 HA LYS A 43 50.889 -3.461 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.781 -5.245 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.786 -5.214 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.331 -5.462 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.256 -6.858 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 43 49.901 -7.257 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 43 49.574 -5.556 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 43 48.466 -6.880 -10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 43 47.645 -7.137 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 46.858 -5.045 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 48.429 -4.409 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 47.582 -4.829 -10.081 1.00 0.00 H new ATOM 664 N VAL A 44 51.030 -2.654 -6.641 1.00 0.00 N ATOM 665 CA VAL A 44 50.188 -2.101 -5.532 1.00 0.00 C ATOM 666 C VAL A 44 49.973 -0.590 -5.740 1.00 0.00 C ATOM 667 O VAL A 44 49.026 -0.019 -5.232 1.00 0.00 O ATOM 668 CB VAL A 44 50.981 -2.374 -4.244 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.245 -1.777 -3.043 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.119 -3.885 -4.037 1.00 0.00 C ATOM 0 H VAL A 44 52.028 -2.710 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 44 49.199 -2.558 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 44 51.967 -1.919 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 44 50.813 -1.974 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.140 -0.701 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.257 -2.230 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 44 51.682 -4.077 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.129 -4.333 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.645 -4.322 -4.886 1.00 0.00 H new ATOM 680 N MET A 45 50.837 0.057 -6.492 1.00 0.00 N ATOM 681 CA MET A 45 50.675 1.526 -6.745 1.00 0.00 C ATOM 682 C MET A 45 49.296 1.813 -7.358 1.00 0.00 C ATOM 683 O MET A 45 48.673 2.808 -7.047 1.00 0.00 O ATOM 684 CB MET A 45 51.792 1.896 -7.728 1.00 0.00 C ATOM 685 CG MET A 45 53.087 2.165 -6.957 1.00 0.00 C ATOM 686 SD MET A 45 53.083 3.865 -6.334 1.00 0.00 S ATOM 687 CE MET A 45 54.462 3.687 -5.175 1.00 0.00 C ATOM 0 H MET A 45 51.647 -0.370 -6.941 1.00 0.00 H new ATOM 0 HA MET A 45 50.740 2.108 -5.826 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.944 1.087 -8.443 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.508 2.779 -8.301 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.181 1.464 -6.128 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.948 2.007 -7.607 1.00 0.00 H new ATOM 0 HE1 MET A 45 55.033 4.615 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.075 3.465 -4.180 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.110 2.874 -5.502 1.00 0.00 H new ATOM 697 N ARG A 46 48.809 0.941 -8.213 1.00 0.00 N ATOM 698 CA ARG A 46 47.460 1.156 -8.832 1.00 0.00 C ATOM 699 C ARG A 46 46.369 1.167 -7.745 1.00 0.00 C ATOM 700 O ARG A 46 45.389 1.877 -7.853 1.00 0.00 O ATOM 701 CB ARG A 46 47.257 -0.027 -9.787 1.00 0.00 C ATOM 702 CG ARG A 46 47.913 0.280 -11.139 1.00 0.00 C ATOM 703 CD ARG A 46 46.865 0.212 -12.257 1.00 0.00 C ATOM 704 NE ARG A 46 46.782 1.603 -12.796 1.00 0.00 N ATOM 705 CZ ARG A 46 46.937 1.827 -14.073 1.00 0.00 C ATOM 706 NH1 ARG A 46 48.035 1.462 -14.673 1.00 0.00 N ATOM 707 NH2 ARG A 46 45.993 2.422 -14.743 1.00 0.00 N ATOM 0 H ARG A 46 49.288 0.090 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 46 47.398 2.111 -9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.690 -0.931 -9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.193 -0.218 -9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.368 1.270 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 46 48.713 -0.434 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 46 47.161 -0.495 -13.033 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.900 -0.121 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 46 46.603 2.382 -12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.775 1.000 -14.145 1.00 0.00 H new ATOM 0 HH12 ARG A 46 48.154 1.638 -15.671 1.00 0.00 H new ATOM 0 HH21 ARG A 46 45.137 2.711 -14.270 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.110 2.599 -15.741 1.00 0.00 H new ATOM 721 N MET A 47 46.541 0.393 -6.695 1.00 0.00 N ATOM 722 CA MET A 47 45.521 0.370 -5.594 1.00 0.00 C ATOM 723 C MET A 47 45.430 1.752 -4.928 1.00 0.00 C ATOM 724 O MET A 47 44.377 2.164 -4.480 1.00 0.00 O ATOM 725 CB MET A 47 46.021 -0.679 -4.589 1.00 0.00 C ATOM 726 CG MET A 47 45.221 -1.976 -4.752 1.00 0.00 C ATOM 727 SD MET A 47 46.295 -3.272 -5.422 1.00 0.00 S ATOM 728 CE MET A 47 46.794 -3.997 -3.840 1.00 0.00 C ATOM 0 H MET A 47 47.342 -0.222 -6.554 1.00 0.00 H new ATOM 0 HA MET A 47 44.526 0.126 -5.966 1.00 0.00 H new ATOM 0 HB2 MET A 47 47.082 -0.873 -4.749 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.916 -0.301 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.814 -2.288 -3.790 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.374 -1.811 -5.418 1.00 0.00 H new ATOM 0 HE1 MET A 47 47.603 -4.709 -4.005 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.136 -3.208 -3.170 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.944 -4.511 -3.391 1.00 0.00 H new ATOM 738 N LEU A 48 46.525 2.472 -4.872 1.00 0.00 N ATOM 739 CA LEU A 48 46.507 3.833 -4.251 1.00 0.00 C ATOM 740 C LEU A 48 46.263 4.891 -5.335 1.00 0.00 C ATOM 741 O LEU A 48 45.484 5.809 -5.157 1.00 0.00 O ATOM 742 CB LEU A 48 47.899 4.006 -3.633 1.00 0.00 C ATOM 743 CG LEU A 48 47.999 3.184 -2.347 1.00 0.00 C ATOM 744 CD1 LEU A 48 49.440 2.704 -2.159 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.590 4.051 -1.156 1.00 0.00 C ATOM 0 H LEU A 48 47.432 2.174 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 48 45.718 3.944 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 48 48.664 3.686 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.084 5.059 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 48 47.335 2.322 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 48 49.512 2.118 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 48 49.731 2.086 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 48 50.105 3.565 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.661 3.466 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.253 4.913 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 48 46.564 4.393 -1.290 1.00 0.00 H new ATOM 757 N GLY A 49 46.923 4.757 -6.459 1.00 0.00 N ATOM 758 CA GLY A 49 46.742 5.733 -7.574 1.00 0.00 C ATOM 759 C GLY A 49 46.815 4.987 -8.909 1.00 0.00 C ATOM 760 O GLY A 49 45.868 4.346 -9.322 1.00 0.00 O ATOM 0 H GLY A 49 47.585 4.005 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 49 45.782 6.240 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 49 47.514 6.502 -7.530 1.00 0.00 H new ATOM 764 N GLN A 50 47.935 5.063 -9.585 1.00 0.00 N ATOM 765 CA GLN A 50 48.079 4.356 -10.896 1.00 0.00 C ATOM 766 C GLN A 50 49.527 3.887 -11.099 1.00 0.00 C ATOM 767 O GLN A 50 50.418 4.249 -10.355 1.00 0.00 O ATOM 768 CB GLN A 50 47.695 5.396 -11.953 1.00 0.00 C ATOM 769 CG GLN A 50 46.169 5.520 -12.015 1.00 0.00 C ATOM 770 CD GLN A 50 45.737 5.981 -13.410 1.00 0.00 C ATOM 771 OE1 GLN A 50 45.167 5.218 -14.163 1.00 0.00 O ATOM 772 NE2 GLN A 50 45.983 7.205 -13.790 1.00 0.00 N ATOM 0 H GLN A 50 48.758 5.586 -9.285 1.00 0.00 H new ATOM 0 HA GLN A 50 47.452 3.466 -10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.140 6.361 -11.708 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.087 5.103 -12.927 1.00 0.00 H new ATOM 0 HG2 GLN A 50 45.708 4.560 -11.781 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.823 6.231 -11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 50 46.462 7.848 -13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 50 45.697 7.518 -14.717 1.00 0.00 H new ATOM 781 N ASN A 51 49.761 3.084 -12.106 1.00 0.00 N ATOM 782 CA ASN A 51 51.144 2.583 -12.375 1.00 0.00 C ATOM 783 C ASN A 51 51.421 2.600 -13.886 1.00 0.00 C ATOM 784 O ASN A 51 50.921 1.761 -14.612 1.00 0.00 O ATOM 785 CB ASN A 51 51.157 1.149 -11.835 1.00 0.00 C ATOM 786 CG ASN A 51 52.557 0.553 -11.992 1.00 0.00 C ATOM 787 OD1 ASN A 51 53.500 1.020 -11.387 1.00 0.00 O ATOM 788 ND2 ASN A 51 52.737 -0.466 -12.785 1.00 0.00 N ATOM 0 H ASN A 51 49.050 2.752 -12.757 1.00 0.00 H new ATOM 0 HA ASN A 51 51.911 3.198 -11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 51 50.864 1.143 -10.785 1.00 0.00 H new ATOM 0 HB3 ASN A 51 50.430 0.541 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 51 53.668 -0.868 -12.895 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.947 -0.861 -13.295 1.00 0.00 H new ATOM 795 N PRO A 52 52.204 3.564 -14.315 1.00 0.00 N ATOM 796 CA PRO A 52 52.536 3.687 -15.757 1.00 0.00 C ATOM 797 C PRO A 52 53.611 2.666 -16.167 1.00 0.00 C ATOM 798 O PRO A 52 53.454 1.950 -17.137 1.00 0.00 O ATOM 799 CB PRO A 52 53.058 5.116 -15.881 1.00 0.00 C ATOM 800 CG PRO A 52 53.566 5.478 -14.519 1.00 0.00 C ATOM 801 CD PRO A 52 52.842 4.618 -13.511 1.00 0.00 C ATOM 0 HA PRO A 52 51.684 3.489 -16.407 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.852 5.180 -16.625 1.00 0.00 H new ATOM 0 HB3 PRO A 52 52.267 5.796 -16.198 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.642 5.315 -14.457 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.392 6.534 -14.315 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.532 4.196 -12.780 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.103 5.195 -12.955 1.00 0.00 H new ATOM 809 N THR A 53 54.704 2.600 -15.445 1.00 0.00 N ATOM 810 CA THR A 53 55.791 1.634 -15.803 1.00 0.00 C ATOM 811 C THR A 53 56.661 1.314 -14.576 1.00 0.00 C ATOM 812 O THR A 53 56.695 2.076 -13.627 1.00 0.00 O ATOM 813 CB THR A 53 56.624 2.345 -16.887 1.00 0.00 C ATOM 814 OG1 THR A 53 57.908 1.747 -16.977 1.00 0.00 O ATOM 815 CG2 THR A 53 56.791 3.830 -16.547 1.00 0.00 C ATOM 0 H THR A 53 54.891 3.174 -14.623 1.00 0.00 H new ATOM 0 HA THR A 53 55.389 0.684 -16.156 1.00 0.00 H new ATOM 0 HB THR A 53 56.102 2.250 -17.839 1.00 0.00 H new ATOM 0 HG1 THR A 53 58.235 1.812 -17.898 1.00 0.00 H new ATOM 0 HG21 THR A 53 57.382 4.317 -17.323 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.810 4.302 -16.488 1.00 0.00 H new ATOM 0 HG23 THR A 53 57.300 3.929 -15.588 1.00 0.00 H new ATOM 823 N PRO A 54 57.351 0.195 -14.645 1.00 0.00 N ATOM 824 CA PRO A 54 58.247 -0.225 -13.531 1.00 0.00 C ATOM 825 C PRO A 54 59.440 0.737 -13.401 1.00 0.00 C ATOM 826 O PRO A 54 60.019 0.872 -12.340 1.00 0.00 O ATOM 827 CB PRO A 54 58.701 -1.626 -13.946 1.00 0.00 C ATOM 828 CG PRO A 54 58.555 -1.645 -15.432 1.00 0.00 C ATOM 829 CD PRO A 54 57.369 -0.774 -15.751 1.00 0.00 C ATOM 0 HA PRO A 54 57.756 -0.216 -12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.732 -1.813 -13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.088 -2.396 -13.478 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.456 -1.268 -15.916 1.00 0.00 H new ATOM 0 HG3 PRO A 54 58.400 -2.661 -15.795 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.481 -0.280 -16.716 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.446 -1.352 -15.794 1.00 0.00 H new ATOM 837 N GLU A 55 59.801 1.417 -14.469 1.00 0.00 N ATOM 838 CA GLU A 55 60.944 2.383 -14.399 1.00 0.00 C ATOM 839 C GLU A 55 60.652 3.466 -13.350 1.00 0.00 C ATOM 840 O GLU A 55 61.538 3.906 -12.642 1.00 0.00 O ATOM 841 CB GLU A 55 61.042 3.000 -15.798 1.00 0.00 C ATOM 842 CG GLU A 55 61.833 2.062 -16.718 1.00 0.00 C ATOM 843 CD GLU A 55 60.879 1.363 -17.691 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.479 1.995 -18.655 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.566 0.208 -17.456 1.00 0.00 O ATOM 0 H GLU A 55 59.353 1.343 -15.382 1.00 0.00 H new ATOM 0 HA GLU A 55 61.876 1.898 -14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.044 3.168 -16.203 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.532 3.972 -15.745 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.582 2.628 -17.272 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.368 1.321 -16.124 1.00 0.00 H new ATOM 852 N GLU A 56 59.411 3.883 -13.236 1.00 0.00 N ATOM 853 CA GLU A 56 59.053 4.922 -12.220 1.00 0.00 C ATOM 854 C GLU A 56 59.396 4.414 -10.814 1.00 0.00 C ATOM 855 O GLU A 56 59.948 5.136 -10.006 1.00 0.00 O ATOM 856 CB GLU A 56 57.542 5.132 -12.364 1.00 0.00 C ATOM 857 CG GLU A 56 57.260 6.013 -13.586 1.00 0.00 C ATOM 858 CD GLU A 56 56.654 7.346 -13.137 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.453 7.389 -12.930 1.00 0.00 O ATOM 860 OE2 GLU A 56 57.401 8.303 -13.015 1.00 0.00 O ATOM 0 H GLU A 56 58.632 3.548 -13.803 1.00 0.00 H new ATOM 0 HA GLU A 56 59.601 5.852 -12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.040 4.171 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.142 5.601 -11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.183 6.190 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 56.576 5.502 -14.264 1.00 0.00 H new ATOM 867 N LEU A 57 59.093 3.171 -10.524 1.00 0.00 N ATOM 868 CA LEU A 57 59.426 2.619 -9.176 1.00 0.00 C ATOM 869 C LEU A 57 60.937 2.364 -9.078 1.00 0.00 C ATOM 870 O LEU A 57 61.507 2.436 -8.010 1.00 0.00 O ATOM 871 CB LEU A 57 58.656 1.299 -9.042 1.00 0.00 C ATOM 872 CG LEU A 57 57.144 1.543 -8.887 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.886 2.708 -7.928 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.520 1.856 -10.250 1.00 0.00 C ATOM 0 H LEU A 57 58.632 2.520 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 57 59.152 3.314 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.838 0.679 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.027 0.746 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 57 56.689 0.640 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.812 2.867 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.309 2.476 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.352 3.612 -8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.450 2.027 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.986 2.749 -10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.679 1.015 -10.925 1.00 0.00 H new ATOM 886 N GLN A 58 61.593 2.078 -10.187 1.00 0.00 N ATOM 887 CA GLN A 58 63.073 1.840 -10.147 1.00 0.00 C ATOM 888 C GLN A 58 63.756 3.046 -9.495 1.00 0.00 C ATOM 889 O GLN A 58 64.481 2.909 -8.528 1.00 0.00 O ATOM 890 CB GLN A 58 63.509 1.696 -11.611 1.00 0.00 C ATOM 891 CG GLN A 58 64.314 0.404 -11.791 1.00 0.00 C ATOM 892 CD GLN A 58 65.551 0.425 -10.887 1.00 0.00 C ATOM 893 OE1 GLN A 58 65.539 -0.136 -9.811 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.625 1.048 -11.283 1.00 0.00 N ATOM 0 H GLN A 58 61.167 2.000 -11.110 1.00 0.00 H new ATOM 0 HA GLN A 58 63.340 0.954 -9.570 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.634 1.683 -12.261 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.112 2.555 -11.906 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.692 -0.458 -11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.617 0.297 -12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.637 1.520 -12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.454 1.064 -10.689 1.00 0.00 H new ATOM 903 N GLU A 59 63.494 4.231 -9.994 1.00 0.00 N ATOM 904 CA GLU A 59 64.091 5.455 -9.377 1.00 0.00 C ATOM 905 C GLU A 59 63.606 5.565 -7.923 1.00 0.00 C ATOM 906 O GLU A 59 64.327 6.005 -7.048 1.00 0.00 O ATOM 907 CB GLU A 59 63.573 6.628 -10.217 1.00 0.00 C ATOM 908 CG GLU A 59 64.627 7.738 -10.250 1.00 0.00 C ATOM 909 CD GLU A 59 63.946 9.101 -10.119 1.00 0.00 C ATOM 910 OE1 GLU A 59 63.763 9.543 -8.997 1.00 0.00 O ATOM 911 OE2 GLU A 59 63.620 9.679 -11.142 1.00 0.00 O ATOM 0 H GLU A 59 62.893 4.402 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 59 65.181 5.436 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.350 6.293 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.642 7.008 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.341 7.598 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.190 7.690 -11.182 1.00 0.00 H new ATOM 918 N MET A 60 62.389 5.137 -7.667 1.00 0.00 N ATOM 919 CA MET A 60 61.838 5.177 -6.277 1.00 0.00 C ATOM 920 C MET A 60 62.642 4.237 -5.364 1.00 0.00 C ATOM 921 O MET A 60 62.896 4.549 -4.216 1.00 0.00 O ATOM 922 CB MET A 60 60.383 4.698 -6.403 1.00 0.00 C ATOM 923 CG MET A 60 59.442 5.778 -5.859 1.00 0.00 C ATOM 924 SD MET A 60 58.537 6.536 -7.231 1.00 0.00 S ATOM 925 CE MET A 60 56.905 5.884 -6.807 1.00 0.00 C ATOM 0 H MET A 60 61.752 4.760 -8.369 1.00 0.00 H new ATOM 0 HA MET A 60 61.896 6.173 -5.839 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.147 4.487 -7.446 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.246 3.769 -5.850 1.00 0.00 H new ATOM 0 HG2 MET A 60 58.743 5.341 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.013 6.536 -5.323 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.276 5.870 -7.697 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.008 4.871 -6.419 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.446 6.518 -6.049 1.00 0.00 H new ATOM 935 N ILE A 61 63.054 3.094 -5.869 1.00 0.00 N ATOM 936 CA ILE A 61 63.852 2.149 -5.028 1.00 0.00 C ATOM 937 C ILE A 61 65.283 2.683 -4.871 1.00 0.00 C ATOM 938 O ILE A 61 65.826 2.682 -3.786 1.00 0.00 O ATOM 939 CB ILE A 61 63.807 0.784 -5.753 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.502 -0.308 -4.721 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.148 0.473 -6.434 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.082 -1.604 -5.428 1.00 0.00 C ATOM 0 H ILE A 61 62.872 2.779 -6.822 1.00 0.00 H new ATOM 0 HA ILE A 61 63.451 2.044 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 61 63.034 0.819 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.381 -0.491 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.707 0.024 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.086 -0.493 -6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.373 1.248 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.938 0.442 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.868 -2.371 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.189 -1.420 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.890 -1.943 -6.077 1.00 0.00 H new ATOM 954 N ASP A 62 65.887 3.163 -5.936 1.00 0.00 N ATOM 955 CA ASP A 62 67.276 3.720 -5.831 1.00 0.00 C ATOM 956 C ASP A 62 67.317 4.825 -4.765 1.00 0.00 C ATOM 957 O ASP A 62 68.313 5.014 -4.093 1.00 0.00 O ATOM 958 CB ASP A 62 67.588 4.293 -7.220 1.00 0.00 C ATOM 959 CG ASP A 62 68.143 3.187 -8.120 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.317 2.884 -7.996 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.384 2.663 -8.916 1.00 0.00 O ATOM 0 H ASP A 62 65.479 3.193 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 62 68.005 2.965 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.685 4.716 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.311 5.104 -7.136 1.00 0.00 H new ATOM 966 N GLU A 63 66.228 5.540 -4.602 1.00 0.00 N ATOM 967 CA GLU A 63 66.167 6.628 -3.575 1.00 0.00 C ATOM 968 C GLU A 63 66.418 6.061 -2.168 1.00 0.00 C ATOM 969 O GLU A 63 67.013 6.709 -1.327 1.00 0.00 O ATOM 970 CB GLU A 63 64.740 7.173 -3.682 1.00 0.00 C ATOM 971 CG GLU A 63 64.723 8.672 -3.358 1.00 0.00 C ATOM 972 CD GLU A 63 63.275 9.148 -3.206 1.00 0.00 C ATOM 973 OE1 GLU A 63 62.676 8.847 -2.186 1.00 0.00 O ATOM 974 OE2 GLU A 63 62.789 9.803 -4.112 1.00 0.00 O ATOM 0 H GLU A 63 65.372 5.414 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 63 66.923 7.396 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.353 7.006 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.085 6.637 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.277 8.862 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.219 9.232 -4.151 1.00 0.00 H new ATOM 981 N VAL A 64 65.963 4.859 -1.904 1.00 0.00 N ATOM 982 CA VAL A 64 66.167 4.248 -0.553 1.00 0.00 C ATOM 983 C VAL A 64 66.885 2.884 -0.669 1.00 0.00 C ATOM 984 O VAL A 64 66.781 2.044 0.205 1.00 0.00 O ATOM 985 CB VAL A 64 64.746 4.091 0.015 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.009 2.963 -0.715 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.820 3.767 1.511 1.00 0.00 C ATOM 0 H VAL A 64 65.458 4.273 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 64 66.798 4.859 0.092 1.00 0.00 H new ATOM 0 HB VAL A 64 64.203 5.025 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.004 2.860 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 64 63.945 3.198 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.553 2.028 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.812 3.657 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 64 65.371 2.838 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.330 4.576 2.034 1.00 0.00 H new ATOM 997 N ASP A 65 67.611 2.663 -1.742 1.00 0.00 N ATOM 998 CA ASP A 65 68.332 1.363 -1.920 1.00 0.00 C ATOM 999 C ASP A 65 69.798 1.633 -2.320 1.00 0.00 C ATOM 1000 O ASP A 65 70.673 1.646 -1.477 1.00 0.00 O ATOM 1001 CB ASP A 65 67.544 0.639 -3.028 1.00 0.00 C ATOM 1002 CG ASP A 65 67.853 -0.857 -3.012 1.00 0.00 C ATOM 1003 OD1 ASP A 65 67.263 -1.553 -2.206 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.663 -1.286 -3.815 1.00 0.00 O ATOM 0 H ASP A 65 67.734 3.330 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 65 68.378 0.759 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 65 66.475 0.797 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 65 67.802 1.059 -4.000 1.00 0.00 H new ATOM 1009 N GLU A 66 70.062 1.878 -3.589 1.00 0.00 N ATOM 1010 CA GLU A 66 71.460 2.179 -4.059 1.00 0.00 C ATOM 1011 C GLU A 66 72.515 1.284 -3.375 1.00 0.00 C ATOM 1012 O GLU A 66 73.527 1.761 -2.896 1.00 0.00 O ATOM 1013 CB GLU A 66 71.679 3.654 -3.699 1.00 0.00 C ATOM 1014 CG GLU A 66 72.163 4.419 -4.936 1.00 0.00 C ATOM 1015 CD GLU A 66 73.608 4.025 -5.255 1.00 0.00 C ATOM 1016 OE1 GLU A 66 74.505 4.671 -4.740 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.791 3.085 -6.012 1.00 0.00 O ATOM 0 H GLU A 66 69.358 1.882 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 66 71.570 1.983 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 66 70.751 4.090 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.412 3.738 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 66 71.519 4.197 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 66 72.099 5.493 -4.759 1.00 0.00 H new ATOM 1024 N ASP A 67 72.294 -0.006 -3.336 1.00 0.00 N ATOM 1025 CA ASP A 67 73.293 -0.922 -2.692 1.00 0.00 C ATOM 1026 C ASP A 67 73.874 -1.918 -3.717 1.00 0.00 C ATOM 1027 O ASP A 67 74.600 -2.828 -3.361 1.00 0.00 O ATOM 1028 CB ASP A 67 72.509 -1.652 -1.586 1.00 0.00 C ATOM 1029 CG ASP A 67 71.654 -2.782 -2.175 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.070 -2.583 -3.227 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.584 -3.827 -1.553 1.00 0.00 O ATOM 0 H ASP A 67 71.469 -0.466 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 67 74.147 -0.377 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.203 -2.061 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.870 -0.943 -1.060 1.00 0.00 H new ATOM 1036 N GLY A 68 73.562 -1.754 -4.984 1.00 0.00 N ATOM 1037 CA GLY A 68 74.094 -2.692 -6.023 1.00 0.00 C ATOM 1038 C GLY A 68 73.064 -3.790 -6.336 1.00 0.00 C ATOM 1039 O GLY A 68 73.267 -4.594 -7.224 1.00 0.00 O ATOM 0 H GLY A 68 72.962 -1.011 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.333 -2.140 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.021 -3.145 -5.672 1.00 0.00 H new ATOM 1043 N SER A 69 71.965 -3.836 -5.619 1.00 0.00 N ATOM 1044 CA SER A 69 70.935 -4.888 -5.883 1.00 0.00 C ATOM 1045 C SER A 69 69.712 -4.279 -6.590 1.00 0.00 C ATOM 1046 O SER A 69 69.185 -4.851 -7.526 1.00 0.00 O ATOM 1047 CB SER A 69 70.577 -5.450 -4.495 1.00 0.00 C ATOM 1048 OG SER A 69 69.240 -5.101 -4.143 1.00 0.00 O ATOM 0 H SER A 69 71.738 -3.190 -4.863 1.00 0.00 H new ATOM 0 HA SER A 69 71.298 -5.674 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.687 -6.534 -4.496 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.269 -5.060 -3.749 1.00 0.00 H new ATOM 0 HG SER A 69 68.612 -5.659 -4.648 1.00 0.00 H new ATOM 1054 N GLY A 70 69.252 -3.132 -6.146 1.00 0.00 N ATOM 1055 CA GLY A 70 68.057 -2.497 -6.787 1.00 0.00 C ATOM 1056 C GLY A 70 66.781 -3.184 -6.286 1.00 0.00 C ATOM 1057 O GLY A 70 65.738 -3.104 -6.905 1.00 0.00 O ATOM 0 H GLY A 70 69.653 -2.609 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.027 -1.433 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.126 -2.581 -7.872 1.00 0.00 H new ATOM 1061 N THR A 71 66.865 -3.859 -5.170 1.00 0.00 N ATOM 1062 CA THR A 71 65.677 -4.565 -4.608 1.00 0.00 C ATOM 1063 C THR A 71 65.564 -4.225 -3.122 1.00 0.00 C ATOM 1064 O THR A 71 66.501 -4.415 -2.368 1.00 0.00 O ATOM 1065 CB THR A 71 65.944 -6.071 -4.801 1.00 0.00 C ATOM 1066 OG1 THR A 71 67.147 -6.279 -5.537 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.771 -6.704 -5.554 1.00 0.00 C ATOM 0 H THR A 71 67.717 -3.952 -4.617 1.00 0.00 H new ATOM 0 HA THR A 71 64.747 -4.273 -5.096 1.00 0.00 H new ATOM 0 HB THR A 71 66.050 -6.535 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.300 -7.241 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.959 -7.769 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.854 -6.568 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.664 -6.226 -6.528 1.00 0.00 H new ATOM 1075 N VAL A 72 64.442 -3.706 -2.698 1.00 0.00 N ATOM 1076 CA VAL A 72 64.294 -3.329 -1.258 1.00 0.00 C ATOM 1077 C VAL A 72 64.091 -4.575 -0.380 1.00 0.00 C ATOM 1078 O VAL A 72 63.186 -5.361 -0.589 1.00 0.00 O ATOM 1079 CB VAL A 72 63.062 -2.411 -1.208 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.478 -2.387 0.209 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.469 -0.988 -1.599 1.00 0.00 C ATOM 0 H VAL A 72 63.625 -3.527 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 72 65.185 -2.832 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 72 62.313 -2.791 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.606 -1.734 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.183 -3.396 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.229 -2.015 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 72 62.595 -0.337 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.223 -0.621 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.878 -0.991 -2.609 1.00 0.00 H new ATOM 1091 N ASP A 73 64.929 -4.740 0.611 1.00 0.00 N ATOM 1092 CA ASP A 73 64.808 -5.908 1.536 1.00 0.00 C ATOM 1093 C ASP A 73 64.013 -5.490 2.786 1.00 0.00 C ATOM 1094 O ASP A 73 63.550 -4.369 2.879 1.00 0.00 O ATOM 1095 CB ASP A 73 66.257 -6.263 1.896 1.00 0.00 C ATOM 1096 CG ASP A 73 66.312 -7.636 2.567 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.146 -8.622 1.870 1.00 0.00 O ATOM 1098 OD2 ASP A 73 66.513 -7.675 3.769 1.00 0.00 O ATOM 0 H ASP A 73 65.701 -4.108 0.821 1.00 0.00 H new ATOM 0 HA ASP A 73 64.283 -6.755 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.873 -6.264 0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.669 -5.507 2.564 1.00 0.00 H new ATOM 1103 N PHE A 74 63.855 -6.367 3.748 1.00 0.00 N ATOM 1104 CA PHE A 74 63.095 -5.995 4.984 1.00 0.00 C ATOM 1105 C PHE A 74 63.782 -4.811 5.680 1.00 0.00 C ATOM 1106 O PHE A 74 63.138 -3.864 6.091 1.00 0.00 O ATOM 1107 CB PHE A 74 63.125 -7.249 5.868 1.00 0.00 C ATOM 1108 CG PHE A 74 62.509 -6.948 7.218 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.221 -6.401 7.300 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.230 -7.217 8.387 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.657 -6.125 8.551 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.665 -6.941 9.638 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.379 -6.395 9.720 1.00 0.00 C ATOM 0 H PHE A 74 64.217 -7.320 3.732 1.00 0.00 H new ATOM 0 HA PHE A 74 62.072 -5.686 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.580 -8.059 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.153 -7.589 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.664 -6.193 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.223 -7.638 8.324 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.665 -5.704 8.615 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.222 -7.149 10.540 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.943 -6.182 10.685 1.00 0.00 H new ATOM 1123 N ASP A 75 65.087 -4.856 5.798 1.00 0.00 N ATOM 1124 CA ASP A 75 65.828 -3.732 6.451 1.00 0.00 C ATOM 1125 C ASP A 75 65.644 -2.435 5.648 1.00 0.00 C ATOM 1126 O ASP A 75 65.326 -1.396 6.198 1.00 0.00 O ATOM 1127 CB ASP A 75 67.294 -4.174 6.440 1.00 0.00 C ATOM 1128 CG ASP A 75 68.164 -3.098 7.094 1.00 0.00 C ATOM 1129 OD1 ASP A 75 68.135 -2.999 8.310 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.844 -2.392 6.368 1.00 0.00 O ATOM 0 H ASP A 75 65.672 -5.624 5.469 1.00 0.00 H new ATOM 0 HA ASP A 75 65.470 -3.528 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.403 -5.118 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.623 -4.348 5.416 1.00 0.00 H new ATOM 1135 N GLU A 76 65.828 -2.494 4.350 1.00 0.00 N ATOM 1136 CA GLU A 76 65.650 -1.269 3.507 1.00 0.00 C ATOM 1137 C GLU A 76 64.175 -0.850 3.511 1.00 0.00 C ATOM 1138 O GLU A 76 63.857 0.323 3.462 1.00 0.00 O ATOM 1139 CB GLU A 76 66.107 -1.672 2.100 1.00 0.00 C ATOM 1140 CG GLU A 76 67.591 -2.071 2.140 1.00 0.00 C ATOM 1141 CD GLU A 76 68.046 -2.559 0.762 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.480 -3.523 0.274 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.964 -1.968 0.220 1.00 0.00 O ATOM 0 H GLU A 76 66.093 -3.336 3.839 1.00 0.00 H new ATOM 0 HA GLU A 76 66.223 -0.419 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.505 -2.504 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.960 -0.844 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.196 -1.219 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.744 -2.856 2.880 1.00 0.00 H new ATOM 1150 N PHE A 77 63.275 -1.802 3.596 1.00 0.00 N ATOM 1151 CA PHE A 77 61.820 -1.469 3.636 1.00 0.00 C ATOM 1152 C PHE A 77 61.528 -0.600 4.869 1.00 0.00 C ATOM 1153 O PHE A 77 60.760 0.341 4.805 1.00 0.00 O ATOM 1154 CB PHE A 77 61.105 -2.821 3.733 1.00 0.00 C ATOM 1155 CG PHE A 77 59.611 -2.616 3.667 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.014 -2.188 2.475 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.823 -2.856 4.798 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.630 -2.000 2.416 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.438 -2.668 4.738 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.841 -2.241 3.547 1.00 0.00 C ATOM 0 H PHE A 77 63.490 -2.798 3.639 1.00 0.00 H new ATOM 0 HA PHE A 77 61.489 -0.907 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.428 -3.472 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.372 -3.318 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.622 -2.003 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.284 -3.186 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.169 -1.669 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.830 -2.852 5.611 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.772 -2.097 3.500 1.00 0.00 H new ATOM 1170 N LEU A 78 62.158 -0.896 5.984 1.00 0.00 N ATOM 1171 CA LEU A 78 61.940 -0.071 7.215 1.00 0.00 C ATOM 1172 C LEU A 78 62.437 1.361 6.966 1.00 0.00 C ATOM 1173 O LEU A 78 61.820 2.320 7.391 1.00 0.00 O ATOM 1174 CB LEU A 78 62.759 -0.752 8.320 1.00 0.00 C ATOM 1175 CG LEU A 78 62.125 -2.100 8.684 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.063 -2.869 9.614 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.790 -1.870 9.396 1.00 0.00 C ATOM 0 H LEU A 78 62.812 -1.671 6.093 1.00 0.00 H new ATOM 0 HA LEU A 78 60.888 -0.006 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.785 -0.902 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.802 -0.111 9.200 1.00 0.00 H new ATOM 0 HG LEU A 78 61.956 -2.673 7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.613 -3.827 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.015 -3.039 9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.231 -2.290 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.344 -2.831 9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.957 -1.294 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.116 -1.321 8.738 1.00 0.00 H new ATOM 1189 N VAL A 79 63.533 1.513 6.251 1.00 0.00 N ATOM 1190 CA VAL A 79 64.052 2.885 5.941 1.00 0.00 C ATOM 1191 C VAL A 79 63.028 3.625 5.065 1.00 0.00 C ATOM 1192 O VAL A 79 62.839 4.820 5.184 1.00 0.00 O ATOM 1193 CB VAL A 79 65.366 2.671 5.173 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.914 4.020 4.698 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.400 2.009 6.088 1.00 0.00 C ATOM 0 H VAL A 79 64.088 0.746 5.871 1.00 0.00 H new ATOM 0 HA VAL A 79 64.216 3.481 6.839 1.00 0.00 H new ATOM 0 HB VAL A 79 65.172 2.029 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.846 3.863 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.187 4.497 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 79 66.101 4.661 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.329 1.860 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.587 2.650 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.021 1.045 6.428 1.00 0.00 H new ATOM 1205 N MET A 80 62.354 2.906 4.198 1.00 0.00 N ATOM 1206 CA MET A 80 61.319 3.539 3.323 1.00 0.00 C ATOM 1207 C MET A 80 60.130 3.996 4.182 1.00 0.00 C ATOM 1208 O MET A 80 59.565 5.052 3.966 1.00 0.00 O ATOM 1209 CB MET A 80 60.896 2.426 2.356 1.00 0.00 C ATOM 1210 CG MET A 80 60.242 3.034 1.113 1.00 0.00 C ATOM 1211 SD MET A 80 60.787 2.127 -0.355 1.00 0.00 S ATOM 1212 CE MET A 80 60.631 3.493 -1.529 1.00 0.00 C ATOM 0 H MET A 80 62.478 1.903 4.059 1.00 0.00 H new ATOM 0 HA MET A 80 61.688 4.417 2.793 1.00 0.00 H new ATOM 0 HB2 MET A 80 61.765 1.834 2.067 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.199 1.749 2.850 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.156 2.989 1.200 1.00 0.00 H new ATOM 0 HG3 MET A 80 60.511 4.087 1.025 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.222 3.121 -2.468 1.00 0.00 H new ATOM 0 HE2 MET A 80 59.964 4.251 -1.118 1.00 0.00 H new ATOM 0 HE3 MET A 80 61.612 3.932 -1.709 1.00 0.00 H new ATOM 1222 N MET A 81 59.756 3.204 5.160 1.00 0.00 N ATOM 1223 CA MET A 81 58.611 3.574 6.051 1.00 0.00 C ATOM 1224 C MET A 81 58.953 4.817 6.886 1.00 0.00 C ATOM 1225 O MET A 81 58.191 5.765 6.929 1.00 0.00 O ATOM 1226 CB MET A 81 58.406 2.357 6.960 1.00 0.00 C ATOM 1227 CG MET A 81 57.260 1.493 6.424 1.00 0.00 C ATOM 1228 SD MET A 81 57.458 1.240 4.640 1.00 0.00 S ATOM 1229 CE MET A 81 55.754 1.619 4.161 1.00 0.00 C ATOM 0 H MET A 81 60.198 2.312 5.380 1.00 0.00 H new ATOM 0 HA MET A 81 57.714 3.818 5.482 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.323 1.770 7.009 1.00 0.00 H new ATOM 0 HB3 MET A 81 58.182 2.684 7.975 1.00 0.00 H new ATOM 0 HG2 MET A 81 57.248 0.531 6.937 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.304 1.975 6.628 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.582 1.288 3.137 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.065 1.103 4.830 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.588 2.694 4.228 1.00 0.00 H new ATOM 1239 N VAL A 82 60.091 4.826 7.545 1.00 0.00 N ATOM 1240 CA VAL A 82 60.468 6.021 8.369 1.00 0.00 C ATOM 1241 C VAL A 82 60.609 7.262 7.471 1.00 0.00 C ATOM 1242 O VAL A 82 60.349 8.374 7.894 1.00 0.00 O ATOM 1243 CB VAL A 82 61.799 5.663 9.057 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.953 5.672 8.049 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.084 6.685 10.160 1.00 0.00 C ATOM 0 H VAL A 82 60.769 4.064 7.548 1.00 0.00 H new ATOM 0 HA VAL A 82 59.707 6.261 9.111 1.00 0.00 H new ATOM 0 HB VAL A 82 61.716 4.662 9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 82 63.882 5.416 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.756 4.942 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 82 63.042 6.664 7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.025 6.437 10.651 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.154 7.681 9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 82 61.277 6.665 10.892 1.00 0.00 H new ATOM 1255 N ARG A 83 60.992 7.076 6.230 1.00 0.00 N ATOM 1256 CA ARG A 83 61.120 8.239 5.300 1.00 0.00 C ATOM 1257 C ARG A 83 59.726 8.794 4.984 1.00 0.00 C ATOM 1258 O ARG A 83 59.499 9.989 5.039 1.00 0.00 O ATOM 1259 CB ARG A 83 61.777 7.675 4.038 1.00 0.00 C ATOM 1260 CG ARG A 83 63.292 7.879 4.117 1.00 0.00 C ATOM 1261 CD ARG A 83 63.976 7.069 3.014 1.00 0.00 C ATOM 1262 NE ARG A 83 64.403 8.082 2.007 1.00 0.00 N ATOM 1263 CZ ARG A 83 63.832 8.124 0.838 1.00 0.00 C ATOM 1264 NH1 ARG A 83 62.636 8.625 0.710 1.00 0.00 N ATOM 1265 NH2 ARG A 83 64.456 7.660 -0.203 1.00 0.00 N ATOM 0 H ARG A 83 61.221 6.169 5.823 1.00 0.00 H new ATOM 0 HA ARG A 83 61.707 9.054 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.547 6.614 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.378 8.172 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.533 8.936 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.661 7.567 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.829 6.513 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.293 6.340 2.577 1.00 0.00 H new ATOM 0 HE ARG A 83 65.145 8.744 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 83 62.144 8.986 1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 83 62.192 8.656 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 83 65.391 7.264 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 83 64.011 7.692 -1.120 1.00 0.00 H new ATOM 1279 N CYS A 84 58.789 7.929 4.669 1.00 0.00 N ATOM 1280 CA CYS A 84 57.399 8.394 4.364 1.00 0.00 C ATOM 1281 C CYS A 84 56.745 8.975 5.629 1.00 0.00 C ATOM 1282 O CYS A 84 55.957 9.898 5.554 1.00 0.00 O ATOM 1283 CB CYS A 84 56.651 7.144 3.889 1.00 0.00 C ATOM 1284 SG CYS A 84 57.270 6.654 2.259 1.00 0.00 S ATOM 0 H CYS A 84 58.929 6.920 4.610 1.00 0.00 H new ATOM 0 HA CYS A 84 57.383 9.182 3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.790 6.331 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.581 7.345 3.838 1.00 0.00 H new ATOM 0 HG CYS A 84 56.364 6.899 1.359 1.00 0.00 H new ATOM 1290 N MET A 85 57.076 8.448 6.787 1.00 0.00 N ATOM 1291 CA MET A 85 56.487 8.981 8.059 1.00 0.00 C ATOM 1292 C MET A 85 56.994 10.410 8.323 1.00 0.00 C ATOM 1293 O MET A 85 56.298 11.221 8.902 1.00 0.00 O ATOM 1294 CB MET A 85 56.975 8.035 9.163 1.00 0.00 C ATOM 1295 CG MET A 85 56.061 6.807 9.240 1.00 0.00 C ATOM 1296 SD MET A 85 56.148 6.090 10.901 1.00 0.00 S ATOM 1297 CE MET A 85 57.794 5.351 10.751 1.00 0.00 C ATOM 0 H MET A 85 57.728 7.673 6.905 1.00 0.00 H new ATOM 0 HA MET A 85 55.399 9.027 8.014 1.00 0.00 H new ATOM 0 HB2 MET A 85 58.000 7.724 8.961 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.983 8.554 10.121 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.034 7.090 9.008 1.00 0.00 H new ATOM 0 HG3 MET A 85 56.364 6.069 8.498 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.863 4.481 11.404 1.00 0.00 H new ATOM 0 HE2 MET A 85 57.962 5.044 9.719 1.00 0.00 H new ATOM 0 HE3 MET A 85 58.549 6.082 11.040 1.00 0.00 H new ATOM 1307 N LYS A 86 58.204 10.713 7.899 1.00 0.00 N ATOM 1308 CA LYS A 86 58.783 12.081 8.110 1.00 0.00 C ATOM 1309 C LYS A 86 58.841 12.427 9.609 1.00 0.00 C ATOM 1310 O LYS A 86 58.281 13.412 10.052 1.00 0.00 O ATOM 1311 CB LYS A 86 57.856 13.038 7.347 1.00 0.00 C ATOM 1312 CG LYS A 86 58.577 14.368 7.093 1.00 0.00 C ATOM 1313 CD LYS A 86 59.666 14.172 6.033 1.00 0.00 C ATOM 1314 CE LYS A 86 60.943 14.914 6.452 1.00 0.00 C ATOM 1315 NZ LYS A 86 61.700 13.950 7.304 1.00 0.00 N ATOM 0 H LYS A 86 58.819 10.062 7.411 1.00 0.00 H new ATOM 0 HA LYS A 86 59.809 12.150 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 86 57.556 12.590 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 86 56.945 13.211 7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 86 57.863 15.122 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 86 59.019 14.735 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 86 59.877 13.110 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 86 59.319 14.544 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 86 61.528 15.212 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 86 60.706 15.824 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 62.711 14.195 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 61.345 13.996 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 61.573 12.986 6.935 1.00 0.00 H new ATOM 1329 N ASP A 87 59.536 11.621 10.382 1.00 0.00 N ATOM 1330 CA ASP A 87 59.671 11.878 11.856 1.00 0.00 C ATOM 1331 C ASP A 87 58.290 12.026 12.525 1.00 0.00 C ATOM 1332 O ASP A 87 57.305 11.480 12.063 1.00 0.00 O ATOM 1333 CB ASP A 87 60.480 13.183 11.967 1.00 0.00 C ATOM 1334 CG ASP A 87 61.742 13.095 11.103 1.00 0.00 C ATOM 1335 OD1 ASP A 87 62.658 12.393 11.497 1.00 0.00 O ATOM 1336 OD2 ASP A 87 61.770 13.730 10.061 1.00 0.00 O ATOM 0 H ASP A 87 60.021 10.787 10.051 1.00 0.00 H new ATOM 0 HA ASP A 87 60.164 11.050 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 87 59.869 14.027 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 87 60.753 13.363 13.007 1.00 0.00 H new ATOM 1341 N ASP A 88 58.220 12.753 13.616 1.00 0.00 N ATOM 1342 CA ASP A 88 56.913 12.937 14.326 1.00 0.00 C ATOM 1343 C ASP A 88 56.889 14.271 15.097 1.00 0.00 C ATOM 1344 O ASP A 88 55.887 14.959 15.118 1.00 0.00 O ATOM 1345 CB ASP A 88 56.804 11.740 15.286 1.00 0.00 C ATOM 1346 CG ASP A 88 57.860 11.841 16.393 1.00 0.00 C ATOM 1347 OD1 ASP A 88 59.024 11.624 16.099 1.00 0.00 O ATOM 1348 OD2 ASP A 88 57.485 12.135 17.515 1.00 0.00 O ATOM 0 H ASP A 88 59.014 13.228 14.046 1.00 0.00 H new ATOM 0 HA ASP A 88 56.074 12.975 13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 88 55.808 11.710 15.727 1.00 0.00 H new ATOM 0 HB3 ASP A 88 56.936 10.810 14.733 1.00 0.00 H new ATOM 1353 N SER A 89 57.980 14.638 15.727 1.00 0.00 N ATOM 1354 CA SER A 89 58.020 15.923 16.493 1.00 0.00 C ATOM 1355 C SER A 89 59.238 16.763 16.080 1.00 0.00 C ATOM 1356 O SER A 89 59.228 17.952 16.352 1.00 0.00 O ATOM 1357 CB SER A 89 58.136 15.501 17.958 1.00 0.00 C ATOM 1358 OG SER A 89 57.656 16.551 18.790 1.00 0.00 O ATOM 1359 OXT SER A 89 60.160 16.204 15.504 1.00 0.00 O ATOM 0 H SER A 89 58.847 14.101 15.743 1.00 0.00 H new ATOM 0 HA SER A 89 57.139 16.538 16.307 1.00 0.00 H new ATOM 0 HB2 SER A 89 57.561 14.592 18.133 1.00 0.00 H new ATOM 0 HB3 SER A 89 59.174 15.274 18.202 1.00 0.00 H new ATOM 0 HG SER A 89 57.728 16.283 19.730 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 55.105 10.121 -13.670 1.00 0.00 N ATOM 1367 CA ARG B 144 54.500 11.216 -12.853 1.00 0.00 C ATOM 1368 C ARG B 144 54.879 11.044 -11.377 1.00 0.00 C ATOM 1369 O ARG B 144 55.061 9.942 -10.900 1.00 0.00 O ATOM 1370 CB ARG B 144 52.986 11.069 -13.044 1.00 0.00 C ATOM 1371 CG ARG B 144 52.265 12.289 -12.458 1.00 0.00 C ATOM 1372 CD ARG B 144 51.345 12.903 -13.518 1.00 0.00 C ATOM 1373 NE ARG B 144 50.398 13.766 -12.752 1.00 0.00 N ATOM 1374 CZ ARG B 144 49.187 13.352 -12.503 1.00 0.00 C ATOM 1375 NH1 ARG B 144 48.273 13.420 -13.429 1.00 0.00 N ATOM 1376 NH2 ARG B 144 48.894 12.873 -11.328 1.00 0.00 N ATOM 0 HA ARG B 144 54.851 12.202 -13.158 1.00 0.00 H new ATOM 0 HB2 ARG B 144 52.752 10.972 -14.104 1.00 0.00 H new ATOM 0 HB3 ARG B 144 52.636 10.160 -12.556 1.00 0.00 H new ATOM 0 HG2 ARG B 144 51.684 11.995 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG B 144 52.993 13.028 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG B 144 51.912 13.486 -14.243 1.00 0.00 H new ATOM 0 HD3 ARG B 144 50.814 12.131 -14.075 1.00 0.00 H new ATOM 0 HE ARG B 144 50.699 14.683 -12.422 1.00 0.00 H new ATOM 0 HH11 ARG B 144 48.505 13.797 -14.348 1.00 0.00 H new ATOM 0 HH12 ARG B 144 47.325 13.096 -13.235 1.00 0.00 H new ATOM 0 HH21 ARG B 144 49.611 12.822 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG B 144 47.947 12.549 -11.131 1.00 0.00 H new ATOM 1392 N ARG B 145 54.999 12.129 -10.655 1.00 0.00 N ATOM 1393 CA ARG B 145 55.368 12.033 -9.209 1.00 0.00 C ATOM 1394 C ARG B 145 54.159 11.586 -8.375 1.00 0.00 C ATOM 1395 O ARG B 145 53.038 11.991 -8.623 1.00 0.00 O ATOM 1396 CB ARG B 145 55.806 13.446 -8.815 1.00 0.00 C ATOM 1397 CG ARG B 145 56.812 13.366 -7.666 1.00 0.00 C ATOM 1398 CD ARG B 145 56.959 14.743 -7.017 1.00 0.00 C ATOM 1399 NE ARG B 145 57.901 14.528 -5.883 1.00 0.00 N ATOM 1400 CZ ARG B 145 59.106 15.019 -5.930 1.00 0.00 C ATOM 1401 NH1 ARG B 145 60.053 14.363 -6.537 1.00 0.00 N ATOM 1402 NH2 ARG B 145 59.360 16.166 -5.368 1.00 0.00 N ATOM 0 H ARG B 145 54.858 13.077 -11.004 1.00 0.00 H new ATOM 0 HA ARG B 145 56.156 11.300 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG B 145 56.254 13.951 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG B 145 54.940 14.036 -8.514 1.00 0.00 H new ATOM 0 HG2 ARG B 145 56.478 12.638 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG B 145 57.778 13.023 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG B 145 57.351 15.474 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG B 145 55.998 15.121 -6.667 1.00 0.00 H new ATOM 0 HE ARG B 145 57.601 13.994 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG B 145 59.851 13.465 -6.976 1.00 0.00 H new ATOM 0 HH12 ARG B 145 60.997 14.748 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG B 145 58.616 16.677 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG B 145 60.303 16.553 -5.403 1.00 0.00 H new ATOM 1416 N VAL B 146 54.386 10.756 -7.387 1.00 0.00 N ATOM 1417 CA VAL B 146 53.259 10.275 -6.522 1.00 0.00 C ATOM 1418 C VAL B 146 53.622 10.442 -5.041 1.00 0.00 C ATOM 1419 O VAL B 146 54.784 10.466 -4.677 1.00 0.00 O ATOM 1420 CB VAL B 146 53.067 8.789 -6.869 1.00 0.00 C ATOM 1421 CG1 VAL B 146 52.497 8.660 -8.284 1.00 0.00 C ATOM 1422 CG2 VAL B 146 54.409 8.050 -6.795 1.00 0.00 C ATOM 0 H VAL B 146 55.305 10.389 -7.140 1.00 0.00 H new ATOM 0 HA VAL B 146 52.345 10.843 -6.695 1.00 0.00 H new ATOM 0 HB VAL B 146 52.375 8.348 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL B 146 52.362 7.606 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL B 146 51.535 9.171 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.187 9.111 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL B 146 54.260 6.999 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL B 146 55.108 8.494 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL B 146 54.814 8.131 -5.786 1.00 0.00 H new ATOM 1432 N ARG B 147 52.639 10.567 -4.185 1.00 0.00 N ATOM 1433 CA ARG B 147 52.932 10.741 -2.730 1.00 0.00 C ATOM 1434 C ARG B 147 52.378 9.564 -1.915 1.00 0.00 C ATOM 1435 O ARG B 147 51.247 9.582 -1.465 1.00 0.00 O ATOM 1436 CB ARG B 147 52.237 12.051 -2.340 1.00 0.00 C ATOM 1437 CG ARG B 147 53.158 12.867 -1.432 1.00 0.00 C ATOM 1438 CD ARG B 147 53.107 12.301 -0.009 1.00 0.00 C ATOM 1439 NE ARG B 147 54.532 12.067 0.367 1.00 0.00 N ATOM 1440 CZ ARG B 147 54.954 10.858 0.614 1.00 0.00 C ATOM 1441 NH1 ARG B 147 54.606 10.264 1.717 1.00 0.00 N ATOM 1442 NH2 ARG B 147 55.723 10.247 -0.245 1.00 0.00 N ATOM 0 H ARG B 147 51.649 10.556 -4.430 1.00 0.00 H new ATOM 0 HA ARG B 147 54.003 10.772 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG B 147 51.990 12.624 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG B 147 51.299 11.839 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG B 147 54.180 12.836 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG B 147 52.850 13.913 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG B 147 52.628 13.000 0.676 1.00 0.00 H new ATOM 0 HD3 ARG B 147 52.533 11.375 0.027 1.00 0.00 H new ATOM 0 HE ARG B 147 55.177 12.854 0.431 1.00 0.00 H new ATOM 0 HH11 ARG B 147 54.004 10.744 2.387 1.00 0.00 H new ATOM 0 HH12 ARG B 147 54.935 9.318 1.913 1.00 0.00 H new ATOM 0 HH21 ARG B 147 55.994 10.715 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG B 147 56.053 9.301 -0.052 1.00 0.00 H new ATOM 1456 N ILE B 148 53.174 8.543 -1.713 1.00 0.00 N ATOM 1457 CA ILE B 148 52.703 7.367 -0.916 1.00 0.00 C ATOM 1458 C ILE B 148 53.231 7.479 0.521 1.00 0.00 C ATOM 1459 O ILE B 148 54.425 7.554 0.750 1.00 0.00 O ATOM 1460 CB ILE B 148 53.278 6.130 -1.627 1.00 0.00 C ATOM 1461 CG1 ILE B 148 52.414 5.794 -2.848 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.278 4.930 -0.674 1.00 0.00 C ATOM 1463 CD1 ILE B 148 52.922 6.562 -4.071 1.00 0.00 C ATOM 0 H ILE B 148 54.129 8.473 -2.065 1.00 0.00 H new ATOM 0 HA ILE B 148 51.616 7.310 -0.854 1.00 0.00 H new ATOM 0 HB ILE B 148 54.299 6.346 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE B 148 52.444 4.722 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE B 148 51.374 6.053 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE B 148 53.687 4.059 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.890 5.158 0.199 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.257 4.718 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE B 148 52.304 6.319 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE B 148 52.868 7.633 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE B 148 53.956 6.281 -4.273 1.00 0.00 H new ATOM 1475 N SER B 149 52.347 7.498 1.486 1.00 0.00 N ATOM 1476 CA SER B 149 52.786 7.612 2.914 1.00 0.00 C ATOM 1477 C SER B 149 52.769 6.241 3.599 1.00 0.00 C ATOM 1478 O SER B 149 52.269 5.270 3.058 1.00 0.00 O ATOM 1479 CB SER B 149 51.772 8.549 3.570 1.00 0.00 C ATOM 1480 OG SER B 149 52.017 9.883 3.142 1.00 0.00 O ATOM 0 H SER B 149 51.338 7.439 1.348 1.00 0.00 H new ATOM 0 HA SER B 149 53.806 7.989 2.995 1.00 0.00 H new ATOM 0 HB2 SER B 149 50.758 8.250 3.303 1.00 0.00 H new ATOM 0 HB3 SER B 149 51.849 8.484 4.655 1.00 0.00 H new ATOM 0 HG SER B 149 51.367 10.485 3.560 1.00 0.00 H new ATOM 1486 N ALA B 150 53.311 6.160 4.791 1.00 0.00 N ATOM 1487 CA ALA B 150 53.334 4.857 5.530 1.00 0.00 C ATOM 1488 C ALA B 150 51.905 4.351 5.775 1.00 0.00 C ATOM 1489 O ALA B 150 51.585 3.218 5.475 1.00 0.00 O ATOM 1490 CB ALA B 150 54.032 5.164 6.858 1.00 0.00 C ATOM 0 H ALA B 150 53.740 6.942 5.285 1.00 0.00 H new ATOM 0 HA ALA B 150 53.850 4.078 4.969 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.088 4.256 7.458 1.00 0.00 H new ATOM 0 HB2 ALA B 150 55.039 5.533 6.663 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.467 5.922 7.399 1.00 0.00 H new ATOM 1496 N ASP B 151 51.046 5.186 6.312 1.00 0.00 N ATOM 1497 CA ASP B 151 49.633 4.757 6.573 1.00 0.00 C ATOM 1498 C ASP B 151 48.928 4.379 5.258 1.00 0.00 C ATOM 1499 O ASP B 151 48.111 3.478 5.224 1.00 0.00 O ATOM 1500 CB ASP B 151 48.953 5.971 7.232 1.00 0.00 C ATOM 1501 CG ASP B 151 48.823 7.121 6.227 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.833 7.735 5.921 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.715 7.366 5.780 1.00 0.00 O ATOM 0 H ASP B 151 51.262 6.146 6.581 1.00 0.00 H new ATOM 0 HA ASP B 151 49.588 3.875 7.212 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.967 5.688 7.600 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.534 6.297 8.095 1.00 0.00 H new ATOM 1508 N ALA B 152 49.240 5.059 4.178 1.00 0.00 N ATOM 1509 CA ALA B 152 48.589 4.739 2.869 1.00 0.00 C ATOM 1510 C ALA B 152 49.043 3.360 2.367 1.00 0.00 C ATOM 1511 O ALA B 152 48.229 2.498 2.090 1.00 0.00 O ATOM 1512 CB ALA B 152 49.044 5.847 1.913 1.00 0.00 C ATOM 0 H ALA B 152 49.917 5.821 4.148 1.00 0.00 H new ATOM 0 HA ALA B 152 47.503 4.698 2.949 1.00 0.00 H new ATOM 0 HB1 ALA B 152 48.606 5.681 0.929 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.719 6.814 2.296 1.00 0.00 H new ATOM 0 HB3 ALA B 152 50.131 5.835 1.833 1.00 0.00 H new ATOM 1518 N MET B 153 50.332 3.141 2.258 1.00 0.00 N ATOM 1519 CA MET B 153 50.833 1.811 1.782 1.00 0.00 C ATOM 1520 C MET B 153 50.494 0.714 2.806 1.00 0.00 C ATOM 1521 O MET B 153 50.269 -0.428 2.447 1.00 0.00 O ATOM 1522 CB MET B 153 52.352 1.976 1.643 1.00 0.00 C ATOM 1523 CG MET B 153 52.896 0.950 0.640 1.00 0.00 C ATOM 1524 SD MET B 153 52.104 1.191 -0.973 1.00 0.00 S ATOM 1525 CE MET B 153 53.613 1.404 -1.950 1.00 0.00 C ATOM 0 H MET B 153 51.058 3.824 2.477 1.00 0.00 H new ATOM 0 HA MET B 153 50.373 1.513 0.840 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.588 2.986 1.308 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.832 1.841 2.612 1.00 0.00 H new ATOM 0 HG2 MET B 153 53.976 1.058 0.545 1.00 0.00 H new ATOM 0 HG3 MET B 153 52.707 -0.061 1.001 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.350 1.569 -2.995 1.00 0.00 H new ATOM 0 HE2 MET B 153 54.170 2.263 -1.576 1.00 0.00 H new ATOM 0 HE3 MET B 153 54.229 0.509 -1.868 1.00 0.00 H new ATOM 1535 N MET B 154 50.445 1.054 4.074 1.00 0.00 N ATOM 1536 CA MET B 154 50.109 0.036 5.122 1.00 0.00 C ATOM 1537 C MET B 154 48.674 -0.481 4.924 1.00 0.00 C ATOM 1538 O MET B 154 48.411 -1.661 5.052 1.00 0.00 O ATOM 1539 CB MET B 154 50.238 0.783 6.455 1.00 0.00 C ATOM 1540 CG MET B 154 50.160 -0.210 7.618 1.00 0.00 C ATOM 1541 SD MET B 154 48.534 -0.085 8.403 1.00 0.00 S ATOM 1542 CE MET B 154 48.176 -1.857 8.464 1.00 0.00 C ATOM 0 H MET B 154 50.623 1.994 4.428 1.00 0.00 H new ATOM 0 HA MET B 154 50.764 -0.834 5.079 1.00 0.00 H new ATOM 0 HB2 MET B 154 51.184 1.323 6.489 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.444 1.525 6.545 1.00 0.00 H new ATOM 0 HG2 MET B 154 50.325 -1.225 7.256 1.00 0.00 H new ATOM 0 HG3 MET B 154 50.945 0.001 8.345 1.00 0.00 H new ATOM 0 HE1 MET B 154 47.499 -2.063 9.293 1.00 0.00 H new ATOM 0 HE2 MET B 154 47.710 -2.166 7.529 1.00 0.00 H new ATOM 0 HE3 MET B 154 49.104 -2.411 8.607 1.00 0.00 H new ATOM 1552 N GLN B 155 47.749 0.394 4.608 1.00 0.00 N ATOM 1553 CA GLN B 155 46.331 -0.043 4.398 1.00 0.00 C ATOM 1554 C GLN B 155 46.159 -0.697 3.016 1.00 0.00 C ATOM 1555 O GLN B 155 45.342 -1.581 2.844 1.00 0.00 O ATOM 1556 CB GLN B 155 45.498 1.239 4.484 1.00 0.00 C ATOM 1557 CG GLN B 155 45.251 1.600 5.952 1.00 0.00 C ATOM 1558 CD GLN B 155 44.582 2.974 6.035 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.383 3.069 6.194 1.00 0.00 O ATOM 1560 NE2 GLN B 155 45.311 4.050 5.931 1.00 0.00 N ATOM 0 H GLN B 155 47.915 1.393 4.486 1.00 0.00 H new ATOM 0 HA GLN B 155 46.025 -0.784 5.137 1.00 0.00 H new ATOM 0 HB2 GLN B 155 46.017 2.055 3.982 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.547 1.101 3.969 1.00 0.00 H new ATOM 0 HG2 GLN B 155 44.618 0.847 6.421 1.00 0.00 H new ATOM 0 HG3 GLN B 155 46.194 1.609 6.499 1.00 0.00 H new ATOM 0 HE21 GLN B 155 46.319 3.972 5.797 1.00 0.00 H new ATOM 0 HE22 GLN B 155 44.873 4.970 5.983 1.00 0.00 H new ATOM 1569 N ALA B 156 46.916 -0.264 2.033 1.00 0.00 N ATOM 1570 CA ALA B 156 46.794 -0.854 0.658 1.00 0.00 C ATOM 1571 C ALA B 156 46.971 -2.381 0.697 1.00 0.00 C ATOM 1572 O ALA B 156 46.207 -3.115 0.097 1.00 0.00 O ATOM 1573 CB ALA B 156 47.915 -0.202 -0.156 1.00 0.00 C ATOM 0 H ALA B 156 47.614 0.474 2.124 1.00 0.00 H new ATOM 0 HA ALA B 156 45.811 -0.670 0.224 1.00 0.00 H new ATOM 0 HB1 ALA B 156 47.892 -0.583 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA B 156 47.774 0.879 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA B 156 48.878 -0.437 0.298 1.00 0.00 H new ATOM 1579 N LEU B 157 47.965 -2.865 1.399 1.00 0.00 N ATOM 1580 CA LEU B 157 48.180 -4.343 1.477 1.00 0.00 C ATOM 1581 C LEU B 157 47.226 -4.964 2.507 1.00 0.00 C ATOM 1582 O LEU B 157 46.586 -5.965 2.244 1.00 0.00 O ATOM 1583 CB LEU B 157 49.639 -4.520 1.909 1.00 0.00 C ATOM 1584 CG LEU B 157 50.248 -5.705 1.156 1.00 0.00 C ATOM 1585 CD1 LEU B 157 50.728 -5.246 -0.223 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.434 -6.258 1.947 1.00 0.00 C ATOM 0 H LEU B 157 48.636 -2.302 1.921 1.00 0.00 H new ATOM 0 HA LEU B 157 47.982 -4.837 0.526 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.205 -3.612 1.701 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.694 -4.690 2.984 1.00 0.00 H new ATOM 0 HG LEU B 157 49.493 -6.483 1.038 1.00 0.00 H new ATOM 0 HD11 LEU B 157 51.161 -6.091 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU B 157 49.884 -4.853 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU B 157 51.481 -4.467 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.867 -7.102 1.410 1.00 0.00 H new ATOM 0 HD22 LEU B 157 52.187 -5.479 2.067 1.00 0.00 H new ATOM 0 HD23 LEU B 157 51.094 -6.588 2.929 1.00 0.00 H new ATOM 1598 N LEU B 158 47.116 -4.370 3.672 1.00 0.00 N ATOM 1599 CA LEU B 158 46.188 -4.921 4.707 1.00 0.00 C ATOM 1600 C LEU B 158 44.753 -4.487 4.384 1.00 0.00 C ATOM 1601 O LEU B 158 44.268 -3.477 4.863 1.00 0.00 O ATOM 1602 CB LEU B 158 46.663 -4.331 6.041 1.00 0.00 C ATOM 1603 CG LEU B 158 47.718 -5.254 6.660 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.117 -4.728 6.334 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.531 -5.298 8.179 1.00 0.00 C ATOM 0 H LEU B 158 47.627 -3.532 3.949 1.00 0.00 H new ATOM 0 HA LEU B 158 46.194 -6.010 4.742 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.081 -3.337 5.883 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.819 -4.217 6.722 1.00 0.00 H new ATOM 0 HG LEU B 158 47.604 -6.257 6.250 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.865 -5.386 6.775 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.252 -4.699 5.253 1.00 0.00 H new ATOM 0 HD13 LEU B 158 49.232 -3.723 6.741 1.00 0.00 H new ATOM 0 HD21 LEU B 158 48.282 -5.955 8.619 1.00 0.00 H new ATOM 0 HD22 LEU B 158 47.642 -4.294 8.589 1.00 0.00 H new ATOM 0 HD23 LEU B 158 46.536 -5.677 8.412 1.00 0.00 H new ATOM 1617 N GLY B 159 44.082 -5.242 3.554 1.00 0.00 N ATOM 1618 CA GLY B 159 42.683 -4.893 3.162 1.00 0.00 C ATOM 1619 C GLY B 159 42.450 -5.310 1.707 1.00 0.00 C ATOM 1620 O GLY B 159 41.411 -5.841 1.366 1.00 0.00 O ATOM 0 H GLY B 159 44.446 -6.093 3.127 1.00 0.00 H new ATOM 0 HA2 GLY B 159 41.972 -5.398 3.816 1.00 0.00 H new ATOM 0 HA3 GLY B 159 42.517 -3.822 3.277 1.00 0.00 H new ATOM 1624 N ALA B 160 43.414 -5.080 0.849 1.00 0.00 N ATOM 1625 CA ALA B 160 43.256 -5.469 -0.587 1.00 0.00 C ATOM 1626 C ALA B 160 44.346 -6.473 -1.006 1.00 0.00 C ATOM 1627 O ALA B 160 44.702 -6.560 -2.167 1.00 0.00 O ATOM 1628 CB ALA B 160 43.401 -4.154 -1.359 1.00 0.00 C ATOM 0 H ALA B 160 44.304 -4.639 1.082 1.00 0.00 H new ATOM 0 HA ALA B 160 42.302 -5.959 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA B 160 43.298 -4.346 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA B 160 42.626 -3.457 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA B 160 44.382 -3.722 -1.161 1.00 0.00 H new ATOM 1634 N ARG B 161 44.876 -7.237 -0.078 1.00 0.00 N ATOM 1635 CA ARG B 161 45.935 -8.229 -0.442 1.00 0.00 C ATOM 1636 C ARG B 161 45.892 -9.445 0.492 1.00 0.00 C ATOM 1637 O ARG B 161 45.739 -10.567 0.047 1.00 0.00 O ATOM 1638 CB ARG B 161 47.261 -7.477 -0.288 1.00 0.00 C ATOM 1639 CG ARG B 161 48.321 -8.124 -1.184 1.00 0.00 C ATOM 1640 CD ARG B 161 48.489 -7.297 -2.462 1.00 0.00 C ATOM 1641 NE ARG B 161 47.305 -7.641 -3.304 1.00 0.00 N ATOM 1642 CZ ARG B 161 47.345 -8.667 -4.107 1.00 0.00 C ATOM 1643 NH1 ARG B 161 47.945 -8.565 -5.258 1.00 0.00 N ATOM 1644 NH2 ARG B 161 46.784 -9.791 -3.759 1.00 0.00 N ATOM 0 H ARG B 161 44.622 -7.216 0.910 1.00 0.00 H new ATOM 0 HA ARG B 161 45.798 -8.612 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG B 161 47.131 -6.429 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG B 161 47.586 -7.500 0.752 1.00 0.00 H new ATOM 0 HG2 ARG B 161 49.271 -8.188 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG B 161 48.027 -9.143 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG B 161 48.519 -6.230 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG B 161 49.421 -7.543 -2.972 1.00 0.00 H new ATOM 0 HE ARG B 161 46.461 -7.071 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG B 161 48.382 -7.684 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG B 161 47.978 -9.366 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG B 161 46.313 -9.868 -2.858 1.00 0.00 H new ATOM 0 HH22 ARG B 161 46.816 -10.593 -4.388 1.00 0.00 H new ATOM 1658 N ALA B 162 46.032 -9.234 1.779 1.00 0.00 N ATOM 1659 CA ALA B 162 46.006 -10.383 2.735 1.00 0.00 C ATOM 1660 C ALA B 162 44.840 -10.241 3.724 1.00 0.00 C ATOM 1661 O ALA B 162 43.913 -11.027 3.710 1.00 0.00 O ATOM 1662 CB ALA B 162 47.350 -10.322 3.463 1.00 0.00 C ATOM 0 H ALA B 162 46.163 -8.317 2.207 1.00 0.00 H new ATOM 0 HA ALA B 162 45.861 -11.336 2.227 1.00 0.00 H new ATOM 0 HB1 ALA B 162 47.410 -11.136 4.186 1.00 0.00 H new ATOM 0 HB2 ALA B 162 48.160 -10.418 2.740 1.00 0.00 H new ATOM 0 HB3 ALA B 162 47.439 -9.368 3.983 1.00 0.00 H new ATOM 1668 N LYS B 163 44.882 -9.249 4.582 1.00 0.00 N ATOM 1669 CA LYS B 163 43.778 -9.059 5.574 1.00 0.00 C ATOM 1670 C LYS B 163 43.530 -7.564 5.814 1.00 0.00 C ATOM 1671 O LYS B 163 42.439 -7.111 5.511 1.00 0.00 O ATOM 1672 CB LYS B 163 44.271 -9.741 6.857 1.00 0.00 C ATOM 1673 CG LYS B 163 43.743 -11.177 6.912 1.00 0.00 C ATOM 1674 CD LYS B 163 44.255 -11.864 8.183 1.00 0.00 C ATOM 1675 CE LYS B 163 43.092 -12.080 9.157 1.00 0.00 C ATOM 1676 NZ LYS B 163 43.710 -12.040 10.516 1.00 0.00 N ATOM 1677 OXT LYS B 163 44.435 -6.898 6.293 1.00 0.00 O ATOM 0 H LYS B 163 45.634 -8.563 4.637 1.00 0.00 H new ATOM 0 HA LYS B 163 42.835 -9.482 5.228 1.00 0.00 H new ATOM 0 HB2 LYS B 163 45.361 -9.742 6.884 1.00 0.00 H new ATOM 0 HB3 LYS B 163 43.931 -9.184 7.730 1.00 0.00 H new ATOM 0 HG2 LYS B 163 42.653 -11.175 6.901 1.00 0.00 H new ATOM 0 HG3 LYS B 163 44.070 -11.729 6.031 1.00 0.00 H new ATOM 0 HD2 LYS B 163 44.714 -12.820 7.932 1.00 0.00 H new ATOM 0 HD3 LYS B 163 45.027 -11.254 8.652 1.00 0.00 H new ATOM 0 HE2 LYS B 163 42.335 -11.304 9.045 1.00 0.00 H new ATOM 0 HE3 LYS B 163 42.599 -13.035 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 42.973 -12.181 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 44.422 -12.794 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 44.166 -11.117 10.663 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 68.937 -3.557 -1.988 1.00 0.00 CA HETATM 1693 OAA SXK A 91 58.947 11.470 -5.883 1.00 20.00 O HETATM 1694 OAB SXK A 91 59.496 12.675 -4.099 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.632 2.897 -0.067 1.00 20.00 C HETATM 1696 CAF SXK A 91 56.927 7.862 -3.430 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.858 7.870 -1.895 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.648 6.522 -3.078 1.00 20.00 C HETATM 1699 CAI SXK A 91 58.587 6.535 -1.539 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.859 4.241 -0.444 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.100 2.143 -2.345 1.00 20.00 C HETATM 1702 CAL SXK A 91 59.444 10.315 -3.832 1.00 20.00 C HETATM 1703 OAM SXK A 91 58.206 9.829 -3.258 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.281 11.589 -4.677 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.754 1.869 -1.016 1.00 20.00 C HETATM 1706 CAP SXK A 91 58.036 8.534 -2.835 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.331 3.483 -2.734 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.483 5.858 -2.132 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.214 4.528 -1.775 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.530 0.584 -0.631 1.00 20.00 F HETATM 1711 FDD SXK A 91 57.668 3.722 -4.039 1.00 20.00 F HETATM 0 HOAB SXK A 91 59.582 12.521 -3.135 1.00 20.00 H new HETATM 0 HALA SXK A 91 60.153 10.512 -3.028 1.00 20.00 H new HETATM 0 HAL SXK A 91 59.877 9.531 -4.454 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.190 1.334 -3.070 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.760 5.044 0.287 1.00 20.00 H new HETATM 0 HAI SXK A 91 59.219 6.022 -0.814 1.00 20.00 H new HETATM 0 HAH SXK A 91 55.802 6.001 -3.526 1.00 20.00 H new HETATM 0 HAG SXK A 91 59.702 8.392 -1.446 1.00 20.00 H new HETATM 0 HAF SXK A 91 56.297 8.380 -4.153 1.00 20.00 H new HETATM 0 HAE SXK A 91 56.362 2.659 0.962 1.00 20.00 H new