USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 150 HIS : no HE2:sc= -3.71! C(o=-2.9!,f=-8.4!) USER MOD Set 1.2: A 154 THR OG1 : rot 160:sc= 0.797 USER MOD Set 2.1: A 90 TYR OH : rot 33:sc= 1.25 USER MOD Set 2.2: A 105 SER OG : rot -171:sc= 0.668 USER MOD Set 2.3: A 111 SER OG : rot -114:sc= 1.38 USER MOD Set 2.4: A 115 HIS : no HE2:sc= 0.633 K(o=3.9,f=-5.1!) USER MOD Set 3.1: A 100 GLN : amide:sc= -1.18 K(o=0.78,f=-6.4!) USER MOD Set 3.2: A 156 LYS NZ :NH3+ 171:sc= 1.96 (180deg=0.712) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= 1.27 (180deg=0.937) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -131:sc= 0.412 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -41:sc= 0.188 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0793 USER MOD Single : A 87 SER OG : rot 19:sc= 0.472 USER MOD Single : A 93 TYR OH : rot 165:sc= -1.44 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.17) USER MOD Single : A 96 SER OG : rot 85:sc= 1.27 USER MOD Single : A 107 ASN : amide:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 67:sc= 1.22 USER MOD Single : A 123 CYS SG : rot -110:sc= -4.89! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 142:sc= 0.583 (180deg=0.0822) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0.807) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -0.474! C(o=-0.47!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 67 N LYS A 67 -4.990 4.074 -13.911 1.00 0.00 N ATOM 68 CA LYS A 67 -3.776 3.882 -14.715 1.00 0.00 C ATOM 69 C LYS A 67 -2.511 4.173 -13.903 1.00 0.00 C ATOM 70 O LYS A 67 -1.806 3.267 -13.476 1.00 0.00 O ATOM 71 CB LYS A 67 -3.766 4.767 -15.995 1.00 0.00 C ATOM 72 CG LYS A 67 -4.902 4.572 -17.022 1.00 0.00 C ATOM 73 CD LYS A 67 -6.269 5.017 -16.493 1.00 0.00 C ATOM 74 CE LYS A 67 -7.319 5.095 -17.595 1.00 0.00 C ATOM 75 NZ LYS A 67 -6.995 6.142 -18.597 1.00 0.00 N ATOM 0 HA LYS A 67 -3.783 2.834 -15.016 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.777 5.810 -15.679 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.819 4.600 -16.509 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.668 5.134 -17.926 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.953 3.520 -17.305 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.603 4.320 -15.725 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.172 5.993 -16.017 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.395 4.128 -18.092 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.293 5.304 -17.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.874 6.498 -19.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.495 6.926 -18.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.389 5.737 -19.339 1.00 0.00 H new ATOM 89 N SER A 68 -2.211 5.432 -13.715 1.00 0.00 N ATOM 90 CA SER A 68 -1.078 5.829 -12.969 1.00 0.00 C ATOM 91 C SER A 68 -1.349 7.151 -12.245 1.00 0.00 C ATOM 92 O SER A 68 -2.450 7.721 -12.362 1.00 0.00 O ATOM 93 CB SER A 68 0.147 5.920 -13.878 1.00 0.00 C ATOM 94 OG SER A 68 0.466 4.644 -14.436 1.00 0.00 O ATOM 0 H SER A 68 -2.761 6.207 -14.085 1.00 0.00 H new ATOM 0 HA SER A 68 -0.871 5.077 -12.208 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.042 6.634 -14.679 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.998 6.296 -13.311 1.00 0.00 H new ATOM 0 HG SER A 68 1.252 4.728 -15.015 1.00 0.00 H new ATOM 100 N LEU A 69 -0.333 7.627 -11.532 1.00 0.00 N ATOM 101 CA LEU A 69 -0.368 8.826 -10.676 1.00 0.00 C ATOM 102 C LEU A 69 -0.843 10.086 -11.401 1.00 0.00 C ATOM 103 O LEU A 69 -1.353 11.017 -10.770 1.00 0.00 O ATOM 104 CB LEU A 69 1.027 9.063 -10.118 1.00 0.00 C ATOM 105 CG LEU A 69 1.578 7.967 -9.209 1.00 0.00 C ATOM 106 CD1 LEU A 69 3.050 8.207 -8.916 1.00 0.00 C ATOM 107 CD2 LEU A 69 0.794 7.930 -7.915 1.00 0.00 C ATOM 0 H LEU A 69 0.581 7.174 -11.529 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.093 8.635 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.714 9.194 -10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.020 10.000 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 69 1.477 7.009 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.425 7.416 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.612 8.207 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.170 9.170 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.192 7.146 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.879 8.892 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.255 7.725 -8.131 1.00 0.00 H new ATOM 119 N THR A 70 -0.678 10.108 -12.701 1.00 0.00 N ATOM 120 CA THR A 70 -1.059 11.232 -13.518 1.00 0.00 C ATOM 121 C THR A 70 -2.591 11.422 -13.531 1.00 0.00 C ATOM 122 O THR A 70 -3.095 12.547 -13.646 1.00 0.00 O ATOM 123 CB THR A 70 -0.525 11.015 -14.946 1.00 0.00 C ATOM 124 OG1 THR A 70 0.874 10.677 -14.851 1.00 0.00 O ATOM 125 CG2 THR A 70 -0.674 12.273 -15.786 1.00 0.00 C ATOM 0 H THR A 70 -0.270 9.335 -13.227 1.00 0.00 H new ATOM 0 HA THR A 70 -0.625 12.140 -13.099 1.00 0.00 H new ATOM 0 HB THR A 70 -1.095 10.218 -15.424 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.237 10.532 -15.750 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.288 12.089 -16.789 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.727 12.547 -15.847 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.113 13.087 -15.326 1.00 0.00 H new ATOM 133 N GLU A 71 -3.323 10.339 -13.370 1.00 0.00 N ATOM 134 CA GLU A 71 -4.781 10.410 -13.398 1.00 0.00 C ATOM 135 C GLU A 71 -5.359 10.219 -12.009 1.00 0.00 C ATOM 136 O GLU A 71 -6.565 10.059 -11.831 1.00 0.00 O ATOM 137 CB GLU A 71 -5.315 9.374 -14.365 1.00 0.00 C ATOM 138 CG GLU A 71 -4.960 9.688 -15.809 1.00 0.00 C ATOM 139 CD GLU A 71 -5.230 8.552 -16.742 1.00 0.00 C ATOM 140 OE1 GLU A 71 -6.379 8.379 -17.192 1.00 0.00 O ATOM 141 OE2 GLU A 71 -4.294 7.814 -17.049 1.00 0.00 O ATOM 0 H GLU A 71 -2.943 9.404 -13.219 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.086 11.399 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.915 8.395 -14.101 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.399 9.313 -14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.527 10.560 -16.135 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.905 9.955 -15.867 1.00 0.00 H new ATOM 148 N THR A 72 -4.499 10.259 -11.036 1.00 0.00 N ATOM 149 CA THR A 72 -4.893 10.075 -9.678 1.00 0.00 C ATOM 150 C THR A 72 -5.083 11.440 -8.983 1.00 0.00 C ATOM 151 O THR A 72 -4.260 12.344 -9.162 1.00 0.00 O ATOM 152 CB THR A 72 -3.823 9.275 -8.956 1.00 0.00 C ATOM 153 OG1 THR A 72 -3.470 8.159 -9.773 1.00 0.00 O ATOM 154 CG2 THR A 72 -4.351 8.762 -7.653 1.00 0.00 C ATOM 0 H THR A 72 -3.500 10.421 -11.166 1.00 0.00 H new ATOM 0 HA THR A 72 -5.841 9.537 -9.649 1.00 0.00 H new ATOM 0 HB THR A 72 -2.959 9.912 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.487 7.341 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.574 8.190 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.652 9.602 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.212 8.120 -7.837 1.00 0.00 H new ATOM 162 N GLU A 73 -6.154 11.584 -8.219 1.00 0.00 N ATOM 163 CA GLU A 73 -6.435 12.830 -7.510 1.00 0.00 C ATOM 164 C GLU A 73 -5.509 12.999 -6.301 1.00 0.00 C ATOM 165 O GLU A 73 -5.096 12.020 -5.686 1.00 0.00 O ATOM 166 CB GLU A 73 -7.900 12.899 -7.083 1.00 0.00 C ATOM 167 CG GLU A 73 -8.331 11.814 -6.122 1.00 0.00 C ATOM 168 CD GLU A 73 -9.788 11.913 -5.777 1.00 0.00 C ATOM 169 OE1 GLU A 73 -10.628 11.397 -6.549 1.00 0.00 O ATOM 170 OE2 GLU A 73 -10.137 12.529 -4.760 1.00 0.00 O ATOM 0 H GLU A 73 -6.848 10.852 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.243 13.653 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.084 13.869 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.526 12.846 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.129 10.838 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.737 11.881 -5.210 1.00 0.00 H new ATOM 177 N LEU A 74 -5.211 14.235 -5.970 1.00 0.00 N ATOM 178 CA LEU A 74 -4.285 14.575 -4.904 1.00 0.00 C ATOM 179 C LEU A 74 -5.048 15.248 -3.770 1.00 0.00 C ATOM 180 O LEU A 74 -5.774 16.223 -3.993 1.00 0.00 O ATOM 181 CB LEU A 74 -3.179 15.515 -5.494 1.00 0.00 C ATOM 182 CG LEU A 74 -1.979 15.970 -4.600 1.00 0.00 C ATOM 183 CD1 LEU A 74 -2.375 16.978 -3.530 1.00 0.00 C ATOM 184 CD2 LEU A 74 -1.289 14.777 -3.974 1.00 0.00 C ATOM 0 H LEU A 74 -5.610 15.048 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.807 13.683 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.761 15.015 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.677 16.416 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.281 16.479 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.497 17.252 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.788 17.869 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.125 16.536 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.458 15.120 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.999 14.230 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.912 14.122 -4.759 1.00 0.00 H new ATOM 196 N LEU A 75 -4.899 14.725 -2.585 1.00 0.00 N ATOM 197 CA LEU A 75 -5.514 15.280 -1.402 1.00 0.00 C ATOM 198 C LEU A 75 -4.427 15.642 -0.393 1.00 0.00 C ATOM 199 O LEU A 75 -3.468 14.877 -0.213 1.00 0.00 O ATOM 200 CB LEU A 75 -6.500 14.286 -0.724 1.00 0.00 C ATOM 201 CG LEU A 75 -7.798 13.889 -1.464 1.00 0.00 C ATOM 202 CD1 LEU A 75 -8.612 15.103 -1.862 1.00 0.00 C ATOM 203 CD2 LEU A 75 -7.529 12.983 -2.650 1.00 0.00 C ATOM 0 H LEU A 75 -4.341 13.890 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.078 16.160 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.949 13.369 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.788 14.713 0.237 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.397 13.314 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.516 14.781 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.886 15.666 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.021 15.736 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.471 12.732 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.879 13.496 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.043 12.070 -2.307 1.00 0.00 H new ATOM 215 N PRO A 76 -4.506 16.822 0.227 1.00 0.00 N ATOM 216 CA PRO A 76 -3.602 17.194 1.318 1.00 0.00 C ATOM 217 C PRO A 76 -3.961 16.377 2.574 1.00 0.00 C ATOM 218 O PRO A 76 -5.141 16.213 2.885 1.00 0.00 O ATOM 219 CB PRO A 76 -3.918 18.687 1.556 1.00 0.00 C ATOM 220 CG PRO A 76 -4.722 19.122 0.380 1.00 0.00 C ATOM 221 CD PRO A 76 -5.453 17.906 -0.092 1.00 0.00 C ATOM 0 HA PRO A 76 -2.551 17.012 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.474 18.826 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.002 19.272 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.419 19.914 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.080 19.521 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.405 17.779 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.672 17.953 -1.159 1.00 0.00 H new ATOM 229 N ILE A 77 -2.966 15.884 3.318 1.00 0.00 N ATOM 230 CA ILE A 77 -3.277 15.032 4.478 1.00 0.00 C ATOM 231 C ILE A 77 -3.725 15.870 5.678 1.00 0.00 C ATOM 232 O ILE A 77 -4.169 15.335 6.687 1.00 0.00 O ATOM 233 CB ILE A 77 -2.123 14.036 4.907 1.00 0.00 C ATOM 234 CG1 ILE A 77 -1.056 14.664 5.860 1.00 0.00 C ATOM 235 CG2 ILE A 77 -1.457 13.414 3.688 1.00 0.00 C ATOM 236 CD1 ILE A 77 -0.312 15.863 5.328 1.00 0.00 C ATOM 0 H ILE A 77 -1.973 16.049 3.151 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.099 14.401 4.139 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.615 13.255 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.552 14.952 6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.328 13.894 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.668 12.734 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.198 12.861 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.027 14.200 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.400 16.211 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.223 15.586 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.020 16.660 5.103 1.00 0.00 H new ATOM 248 N THR A 78 -3.593 17.187 5.562 1.00 0.00 N ATOM 249 CA THR A 78 -4.035 18.090 6.609 1.00 0.00 C ATOM 250 C THR A 78 -5.584 18.041 6.711 1.00 0.00 C ATOM 251 O THR A 78 -6.163 18.301 7.762 1.00 0.00 O ATOM 252 CB THR A 78 -3.491 19.548 6.380 1.00 0.00 C ATOM 253 OG1 THR A 78 -3.795 20.406 7.492 1.00 0.00 O ATOM 254 CG2 THR A 78 -4.039 20.162 5.104 1.00 0.00 C ATOM 0 H THR A 78 -3.183 17.650 4.751 1.00 0.00 H new ATOM 0 HA THR A 78 -3.622 17.764 7.564 1.00 0.00 H new ATOM 0 HB THR A 78 -2.409 19.460 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.442 21.304 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.639 21.169 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.746 19.550 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.127 20.208 5.160 1.00 0.00 H new ATOM 262 N GLU A 79 -6.222 17.631 5.618 1.00 0.00 N ATOM 263 CA GLU A 79 -7.649 17.418 5.574 1.00 0.00 C ATOM 264 C GLU A 79 -7.909 15.920 5.389 1.00 0.00 C ATOM 265 O GLU A 79 -8.643 15.491 4.498 1.00 0.00 O ATOM 266 CB GLU A 79 -8.338 18.290 4.491 1.00 0.00 C ATOM 267 CG GLU A 79 -7.736 18.210 3.091 1.00 0.00 C ATOM 268 CD GLU A 79 -8.457 19.100 2.102 1.00 0.00 C ATOM 269 OE1 GLU A 79 -8.188 20.323 2.068 1.00 0.00 O ATOM 270 OE2 GLU A 79 -9.299 18.608 1.339 1.00 0.00 O ATOM 0 H GLU A 79 -5.750 17.438 4.734 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.096 17.739 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.387 18.000 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.312 19.329 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.685 18.495 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.772 17.178 2.741 1.00 0.00 H new ATOM 277 N ALA A 80 -7.299 15.136 6.283 1.00 0.00 N ATOM 278 CA ALA A 80 -7.333 13.659 6.269 1.00 0.00 C ATOM 279 C ALA A 80 -8.755 13.109 6.337 1.00 0.00 C ATOM 280 O ALA A 80 -9.023 11.975 5.936 1.00 0.00 O ATOM 281 CB ALA A 80 -6.503 13.102 7.417 1.00 0.00 C ATOM 0 H ALA A 80 -6.753 15.514 7.058 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.906 13.338 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.537 12.013 7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.470 13.435 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.907 13.458 8.365 1.00 0.00 H new ATOM 287 N ASP A 81 -9.654 13.907 6.848 1.00 0.00 N ATOM 288 CA ASP A 81 -11.066 13.556 6.889 1.00 0.00 C ATOM 289 C ASP A 81 -11.648 13.427 5.484 1.00 0.00 C ATOM 290 O ASP A 81 -12.565 12.640 5.242 1.00 0.00 O ATOM 291 CB ASP A 81 -11.857 14.609 7.664 1.00 0.00 C ATOM 292 CG ASP A 81 -13.349 14.402 7.552 1.00 0.00 C ATOM 293 OD1 ASP A 81 -13.880 13.473 8.185 1.00 0.00 O ATOM 294 OD2 ASP A 81 -14.016 15.175 6.824 1.00 0.00 O ATOM 0 H ASP A 81 -9.438 14.820 7.249 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.147 12.592 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.566 14.579 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.601 15.600 7.291 1.00 0.00 H new ATOM 299 N SER A 82 -11.074 14.150 4.558 1.00 0.00 N ATOM 300 CA SER A 82 -11.587 14.222 3.226 1.00 0.00 C ATOM 301 C SER A 82 -10.995 13.100 2.347 1.00 0.00 C ATOM 302 O SER A 82 -11.192 13.079 1.125 1.00 0.00 O ATOM 303 CB SER A 82 -11.287 15.612 2.644 1.00 0.00 C ATOM 304 OG SER A 82 -12.028 15.868 1.459 1.00 0.00 O ATOM 0 H SER A 82 -10.233 14.706 4.713 1.00 0.00 H new ATOM 0 HA SER A 82 -12.667 14.075 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.520 16.374 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.221 15.692 2.429 1.00 0.00 H new ATOM 0 HG SER A 82 -12.038 15.064 0.899 1.00 0.00 H new ATOM 310 N ILE A 83 -10.297 12.168 2.956 1.00 0.00 N ATOM 311 CA ILE A 83 -9.760 11.048 2.223 1.00 0.00 C ATOM 312 C ILE A 83 -10.893 10.031 2.027 1.00 0.00 C ATOM 313 O ILE A 83 -11.614 9.729 2.978 1.00 0.00 O ATOM 314 CB ILE A 83 -8.559 10.379 2.972 1.00 0.00 C ATOM 315 CG1 ILE A 83 -7.487 11.421 3.342 1.00 0.00 C ATOM 316 CG2 ILE A 83 -7.939 9.262 2.142 1.00 0.00 C ATOM 317 CD1 ILE A 83 -6.972 12.245 2.186 1.00 0.00 C ATOM 0 H ILE A 83 -10.089 12.165 3.955 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.377 11.398 1.264 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.953 9.944 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.900 12.094 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.645 10.906 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.108 8.819 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.690 8.498 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.575 9.669 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.222 12.949 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.524 11.587 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.798 12.794 1.734 1.00 0.00 H new ATOM 329 N PRO A 84 -11.124 9.568 0.789 1.00 0.00 N ATOM 330 CA PRO A 84 -12.175 8.588 0.485 1.00 0.00 C ATOM 331 C PRO A 84 -12.065 7.307 1.310 1.00 0.00 C ATOM 332 O PRO A 84 -10.989 6.676 1.410 1.00 0.00 O ATOM 333 CB PRO A 84 -11.937 8.254 -0.979 1.00 0.00 C ATOM 334 CG PRO A 84 -11.278 9.455 -1.530 1.00 0.00 C ATOM 335 CD PRO A 84 -10.413 9.989 -0.429 1.00 0.00 C ATOM 0 HA PRO A 84 -13.160 8.996 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.307 7.371 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.874 8.043 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.683 9.206 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.014 10.196 -1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.406 9.575 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.314 11.073 -0.484 1.00 0.00 H new ATOM 343 N SER A 85 -13.150 6.929 1.889 1.00 0.00 N ATOM 344 CA SER A 85 -13.228 5.730 2.635 1.00 0.00 C ATOM 345 C SER A 85 -13.699 4.579 1.742 1.00 0.00 C ATOM 346 O SER A 85 -14.880 4.248 1.698 1.00 0.00 O ATOM 347 CB SER A 85 -14.145 5.963 3.825 1.00 0.00 C ATOM 348 OG SER A 85 -15.264 6.745 3.418 1.00 0.00 O ATOM 0 H SER A 85 -14.022 7.456 1.855 1.00 0.00 H new ATOM 0 HA SER A 85 -12.246 5.444 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.483 5.009 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.602 6.473 4.621 1.00 0.00 H new ATOM 0 HG SER A 85 -15.856 6.893 4.185 1.00 0.00 H new ATOM 354 N ALA A 86 -12.778 4.034 0.979 1.00 0.00 N ATOM 355 CA ALA A 86 -13.079 2.954 0.061 1.00 0.00 C ATOM 356 C ALA A 86 -11.870 2.061 -0.079 1.00 0.00 C ATOM 357 O ALA A 86 -10.839 2.336 0.539 1.00 0.00 O ATOM 358 CB ALA A 86 -13.449 3.532 -1.278 1.00 0.00 C ATOM 0 H ALA A 86 -11.800 4.325 0.976 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.913 2.366 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.677 2.724 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.324 4.173 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.615 4.118 -1.664 1.00 0.00 H new ATOM 364 N SER A 87 -11.967 1.028 -0.891 1.00 0.00 N ATOM 365 CA SER A 87 -10.885 0.109 -1.062 1.00 0.00 C ATOM 366 C SER A 87 -10.171 0.448 -2.357 1.00 0.00 C ATOM 367 O SER A 87 -10.813 0.705 -3.398 1.00 0.00 O ATOM 368 CB SER A 87 -11.418 -1.343 -1.081 1.00 0.00 C ATOM 369 OG SER A 87 -10.377 -2.312 -0.890 1.00 0.00 O ATOM 0 H SER A 87 -12.797 0.812 -1.443 1.00 0.00 H new ATOM 0 HA SER A 87 -10.183 0.190 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.168 -1.462 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.916 -1.532 -2.032 1.00 0.00 H new ATOM 0 HG SER A 87 -9.592 -1.876 -0.497 1.00 0.00 H new ATOM 375 N GLY A 88 -8.876 0.473 -2.302 1.00 0.00 N ATOM 376 CA GLY A 88 -8.116 0.816 -3.449 1.00 0.00 C ATOM 377 C GLY A 88 -6.682 1.025 -3.106 1.00 0.00 C ATOM 378 O GLY A 88 -6.179 0.451 -2.122 1.00 0.00 O ATOM 0 H GLY A 88 -8.327 0.258 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.202 0.026 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.521 1.723 -3.898 1.00 0.00 H new ATOM 382 N VAL A 89 -6.048 1.872 -3.849 1.00 0.00 N ATOM 383 CA VAL A 89 -4.644 2.125 -3.710 1.00 0.00 C ATOM 384 C VAL A 89 -4.413 3.615 -3.444 1.00 0.00 C ATOM 385 O VAL A 89 -5.218 4.453 -3.850 1.00 0.00 O ATOM 386 CB VAL A 89 -3.888 1.638 -4.998 1.00 0.00 C ATOM 387 CG1 VAL A 89 -4.432 2.297 -6.249 1.00 0.00 C ATOM 388 CG2 VAL A 89 -2.373 1.815 -4.897 1.00 0.00 C ATOM 0 H VAL A 89 -6.496 2.419 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.247 1.569 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.076 0.567 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.884 1.935 -7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.489 2.053 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.315 3.378 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.903 1.462 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.139 2.870 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.995 1.240 -4.052 1.00 0.00 H new ATOM 398 N TYR A 90 -3.373 3.929 -2.725 1.00 0.00 N ATOM 399 CA TYR A 90 -3.031 5.294 -2.433 1.00 0.00 C ATOM 400 C TYR A 90 -1.524 5.490 -2.567 1.00 0.00 C ATOM 401 O TYR A 90 -0.743 4.528 -2.438 1.00 0.00 O ATOM 402 CB TYR A 90 -3.524 5.705 -1.025 1.00 0.00 C ATOM 403 CG TYR A 90 -2.951 4.873 0.097 1.00 0.00 C ATOM 404 CD1 TYR A 90 -1.704 5.163 0.626 1.00 0.00 C ATOM 405 CD2 TYR A 90 -3.643 3.788 0.610 1.00 0.00 C ATOM 406 CE1 TYR A 90 -1.166 4.406 1.625 1.00 0.00 C ATOM 407 CE2 TYR A 90 -3.104 3.021 1.615 1.00 0.00 C ATOM 408 CZ TYR A 90 -1.863 3.338 2.117 1.00 0.00 C ATOM 409 OH TYR A 90 -1.309 2.576 3.112 1.00 0.00 O ATOM 0 H TYR A 90 -2.735 3.243 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.533 5.940 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.269 6.751 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.611 5.633 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.147 6.004 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.618 3.542 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.193 4.649 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.650 2.176 2.008 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.759 3.144 3.691 1.00 0.00 H new ATOM 419 N ALA A 91 -1.133 6.701 -2.825 1.00 0.00 N ATOM 420 CA ALA A 91 0.248 7.074 -2.980 1.00 0.00 C ATOM 421 C ALA A 91 0.578 8.210 -2.027 1.00 0.00 C ATOM 422 O ALA A 91 0.022 9.301 -2.149 1.00 0.00 O ATOM 423 CB ALA A 91 0.486 7.512 -4.408 1.00 0.00 C ATOM 0 H ALA A 91 -1.780 7.481 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 91 0.889 6.222 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.531 7.796 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.250 6.691 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.152 8.366 -4.638 1.00 0.00 H new ATOM 429 N VAL A 92 1.455 7.952 -1.087 1.00 0.00 N ATOM 430 CA VAL A 92 1.829 8.928 -0.084 1.00 0.00 C ATOM 431 C VAL A 92 3.047 9.743 -0.539 1.00 0.00 C ATOM 432 O VAL A 92 4.134 9.180 -0.829 1.00 0.00 O ATOM 433 CB VAL A 92 2.158 8.248 1.270 1.00 0.00 C ATOM 434 CG1 VAL A 92 2.450 9.285 2.336 1.00 0.00 C ATOM 435 CG2 VAL A 92 1.023 7.352 1.717 1.00 0.00 C ATOM 0 H VAL A 92 1.933 7.056 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 92 0.975 9.592 0.048 1.00 0.00 H new ATOM 0 HB VAL A 92 3.047 7.635 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.678 8.785 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.303 9.890 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.579 9.927 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.280 6.887 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.116 7.945 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.855 6.577 0.969 1.00 0.00 H new ATOM 445 N TYR A 93 2.859 11.036 -0.605 1.00 0.00 N ATOM 446 CA TYR A 93 3.884 11.987 -0.967 1.00 0.00 C ATOM 447 C TYR A 93 4.256 12.783 0.256 1.00 0.00 C ATOM 448 O TYR A 93 3.365 13.282 0.958 1.00 0.00 O ATOM 449 CB TYR A 93 3.359 12.967 -2.030 1.00 0.00 C ATOM 450 CG TYR A 93 3.075 12.363 -3.377 1.00 0.00 C ATOM 451 CD1 TYR A 93 1.928 11.623 -3.614 1.00 0.00 C ATOM 452 CD2 TYR A 93 3.956 12.544 -4.416 1.00 0.00 C ATOM 453 CE1 TYR A 93 1.684 11.081 -4.853 1.00 0.00 C ATOM 454 CE2 TYR A 93 3.721 12.010 -5.654 1.00 0.00 C ATOM 455 CZ TYR A 93 2.588 11.280 -5.868 1.00 0.00 C ATOM 456 OH TYR A 93 2.363 10.739 -7.096 1.00 0.00 O ATOM 0 H TYR A 93 1.960 11.472 -0.402 1.00 0.00 H new ATOM 0 HA TYR A 93 4.743 11.445 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.444 13.427 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.089 13.767 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.217 11.470 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.854 13.121 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.788 10.503 -5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.427 12.165 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 93 2.949 11.167 -7.754 1.00 0.00 H new ATOM 466 N ASP A 94 5.536 12.920 0.531 1.00 0.00 N ATOM 467 CA ASP A 94 5.952 13.728 1.668 1.00 0.00 C ATOM 468 C ASP A 94 5.878 15.216 1.280 1.00 0.00 C ATOM 469 O ASP A 94 5.341 15.570 0.219 1.00 0.00 O ATOM 470 CB ASP A 94 7.374 13.358 2.175 1.00 0.00 C ATOM 471 CG ASP A 94 8.514 13.968 1.377 1.00 0.00 C ATOM 472 OD1 ASP A 94 8.902 13.426 0.357 1.00 0.00 O ATOM 473 OD2 ASP A 94 9.048 15.024 1.803 1.00 0.00 O ATOM 0 H ASP A 94 6.295 12.495 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 94 5.272 13.525 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.467 13.673 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.479 12.273 2.160 1.00 0.00 H new ATOM 478 N LYS A 95 6.445 16.074 2.104 1.00 0.00 N ATOM 479 CA LYS A 95 6.387 17.502 1.918 1.00 0.00 C ATOM 480 C LYS A 95 7.118 17.917 0.621 1.00 0.00 C ATOM 481 O LYS A 95 6.799 18.940 0.015 1.00 0.00 O ATOM 482 CB LYS A 95 7.020 18.236 3.119 1.00 0.00 C ATOM 483 CG LYS A 95 6.466 17.882 4.518 1.00 0.00 C ATOM 484 CD LYS A 95 7.112 16.631 5.155 1.00 0.00 C ATOM 485 CE LYS A 95 6.642 16.433 6.588 1.00 0.00 C ATOM 486 NZ LYS A 95 7.339 15.309 7.257 1.00 0.00 N ATOM 0 H LYS A 95 6.966 15.790 2.933 1.00 0.00 H new ATOM 0 HA LYS A 95 5.337 17.783 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.091 18.034 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.898 19.308 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.616 18.733 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.390 17.723 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.863 15.750 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.197 16.731 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.810 17.350 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.568 16.247 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.853 15.080 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.331 14.476 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.322 15.581 7.459 1.00 0.00 H new ATOM 500 N SER A 96 8.061 17.091 0.194 1.00 0.00 N ATOM 501 CA SER A 96 8.869 17.353 -0.986 1.00 0.00 C ATOM 502 C SER A 96 8.139 16.957 -2.289 1.00 0.00 C ATOM 503 O SER A 96 8.718 17.063 -3.368 1.00 0.00 O ATOM 504 CB SER A 96 10.154 16.541 -0.880 1.00 0.00 C ATOM 505 OG SER A 96 10.702 16.619 0.441 1.00 0.00 O ATOM 0 H SER A 96 8.288 16.213 0.661 1.00 0.00 H new ATOM 0 HA SER A 96 9.073 18.423 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.953 15.500 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.882 16.910 -1.602 1.00 0.00 H new ATOM 0 HG SER A 96 10.274 15.948 1.013 1.00 0.00 H new ATOM 511 N ASP A 97 6.874 16.481 -2.170 1.00 0.00 N ATOM 512 CA ASP A 97 6.056 15.990 -3.328 1.00 0.00 C ATOM 513 C ASP A 97 6.669 14.683 -3.850 1.00 0.00 C ATOM 514 O ASP A 97 6.493 14.260 -4.995 1.00 0.00 O ATOM 515 CB ASP A 97 5.943 17.062 -4.450 1.00 0.00 C ATOM 516 CG ASP A 97 4.964 16.693 -5.557 1.00 0.00 C ATOM 517 OD1 ASP A 97 3.750 16.735 -5.309 1.00 0.00 O ATOM 518 OD2 ASP A 97 5.383 16.423 -6.711 1.00 0.00 O ATOM 0 H ASP A 97 6.386 16.423 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 97 5.038 15.798 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.635 18.008 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.928 17.222 -4.888 1.00 0.00 H new ATOM 523 N GLU A 98 7.364 14.026 -2.968 1.00 0.00 N ATOM 524 CA GLU A 98 7.996 12.793 -3.275 1.00 0.00 C ATOM 525 C GLU A 98 7.161 11.622 -2.852 1.00 0.00 C ATOM 526 O GLU A 98 6.869 11.440 -1.668 1.00 0.00 O ATOM 527 CB GLU A 98 9.383 12.725 -2.656 1.00 0.00 C ATOM 528 CG GLU A 98 10.409 13.551 -3.387 1.00 0.00 C ATOM 529 CD GLU A 98 10.650 13.001 -4.762 1.00 0.00 C ATOM 530 OE1 GLU A 98 11.421 12.046 -4.887 1.00 0.00 O ATOM 531 OE2 GLU A 98 10.039 13.472 -5.734 1.00 0.00 O ATOM 0 H GLU A 98 7.505 14.341 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 98 8.104 12.742 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.327 13.062 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.712 11.686 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.068 14.584 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.343 13.561 -2.825 1.00 0.00 H new ATOM 538 N LEU A 99 6.734 10.864 -3.834 1.00 0.00 N ATOM 539 CA LEU A 99 6.048 9.623 -3.606 1.00 0.00 C ATOM 540 C LEU A 99 7.050 8.671 -3.031 1.00 0.00 C ATOM 541 O LEU A 99 8.042 8.331 -3.687 1.00 0.00 O ATOM 542 CB LEU A 99 5.423 9.107 -4.933 1.00 0.00 C ATOM 543 CG LEU A 99 4.689 7.743 -4.942 1.00 0.00 C ATOM 544 CD1 LEU A 99 5.664 6.577 -5.085 1.00 0.00 C ATOM 545 CD2 LEU A 99 3.879 7.582 -3.677 1.00 0.00 C ATOM 0 H LEU A 99 6.856 11.097 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 99 5.219 9.738 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.717 9.862 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.221 9.055 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 99 4.025 7.731 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.110 5.638 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.215 6.676 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.364 6.584 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.367 6.620 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.542 7.626 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.143 8.384 -3.611 1.00 0.00 H new ATOM 557 N GLN A 100 6.841 8.314 -1.799 1.00 0.00 N ATOM 558 CA GLN A 100 7.763 7.471 -1.111 1.00 0.00 C ATOM 559 C GLN A 100 7.100 6.225 -0.528 1.00 0.00 C ATOM 560 O GLN A 100 7.784 5.302 -0.091 1.00 0.00 O ATOM 561 CB GLN A 100 8.592 8.273 -0.090 1.00 0.00 C ATOM 562 CG GLN A 100 9.420 9.380 -0.764 1.00 0.00 C ATOM 563 CD GLN A 100 10.468 10.016 0.114 1.00 0.00 C ATOM 564 OE1 GLN A 100 11.501 10.496 -0.377 1.00 0.00 O ATOM 565 NE2 GLN A 100 10.245 10.027 1.386 1.00 0.00 N ATOM 0 H GLN A 100 6.031 8.598 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 100 8.471 7.085 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.926 8.718 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.258 7.598 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.909 8.962 -1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.742 10.157 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.385 9.623 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.929 10.439 2.020 1.00 0.00 H new ATOM 574 N PHE A 101 5.779 6.208 -0.485 1.00 0.00 N ATOM 575 CA PHE A 101 5.081 5.029 -0.019 1.00 0.00 C ATOM 576 C PHE A 101 3.760 4.840 -0.743 1.00 0.00 C ATOM 577 O PHE A 101 2.866 5.675 -0.650 1.00 0.00 O ATOM 578 CB PHE A 101 4.857 5.069 1.508 1.00 0.00 C ATOM 579 CG PHE A 101 4.152 3.851 2.060 1.00 0.00 C ATOM 580 CD1 PHE A 101 4.829 2.655 2.206 1.00 0.00 C ATOM 581 CD2 PHE A 101 2.817 3.908 2.432 1.00 0.00 C ATOM 582 CE1 PHE A 101 4.194 1.538 2.709 1.00 0.00 C ATOM 583 CE2 PHE A 101 2.176 2.793 2.936 1.00 0.00 C ATOM 584 CZ PHE A 101 2.864 1.607 3.074 1.00 0.00 C ATOM 0 H PHE A 101 5.179 6.985 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 101 5.717 4.174 -0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.822 5.173 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.275 5.956 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.869 2.594 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.272 4.835 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.737 0.611 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.136 2.851 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.364 0.734 3.467 1.00 0.00 H new ATOM 594 N VAL A 102 3.662 3.782 -1.491 1.00 0.00 N ATOM 595 CA VAL A 102 2.406 3.394 -2.103 1.00 0.00 C ATOM 596 C VAL A 102 1.829 2.238 -1.321 1.00 0.00 C ATOM 597 O VAL A 102 2.580 1.451 -0.722 1.00 0.00 O ATOM 598 CB VAL A 102 2.537 2.991 -3.601 1.00 0.00 C ATOM 599 CG1 VAL A 102 2.932 4.174 -4.429 1.00 0.00 C ATOM 600 CG2 VAL A 102 3.549 1.884 -3.792 1.00 0.00 C ATOM 0 H VAL A 102 4.442 3.159 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 102 1.752 4.265 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 102 1.562 2.627 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.019 3.874 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.174 4.952 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.891 4.558 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.614 1.629 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.525 2.218 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.239 1.006 -3.225 1.00 0.00 H new ATOM 610 N GLY A 103 0.537 2.133 -1.290 1.00 0.00 N ATOM 611 CA GLY A 103 -0.064 1.063 -0.561 1.00 0.00 C ATOM 612 C GLY A 103 -1.472 0.800 -0.991 1.00 0.00 C ATOM 613 O GLY A 103 -2.155 1.696 -1.485 1.00 0.00 O ATOM 0 H GLY A 103 -0.114 2.766 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.529 0.158 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.050 1.299 0.503 1.00 0.00 H new ATOM 617 N ILE A 104 -1.893 -0.422 -0.825 1.00 0.00 N ATOM 618 CA ILE A 104 -3.242 -0.840 -1.116 1.00 0.00 C ATOM 619 C ILE A 104 -3.912 -1.201 0.183 1.00 0.00 C ATOM 620 O ILE A 104 -3.266 -1.753 1.086 1.00 0.00 O ATOM 621 CB ILE A 104 -3.283 -2.032 -2.104 1.00 0.00 C ATOM 622 CG1 ILE A 104 -2.402 -3.202 -1.611 1.00 0.00 C ATOM 623 CG2 ILE A 104 -2.848 -1.563 -3.475 1.00 0.00 C ATOM 624 CD1 ILE A 104 -2.398 -4.411 -2.525 1.00 0.00 C ATOM 0 H ILE A 104 -1.298 -1.174 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.771 -0.020 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.306 -2.405 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.378 -2.846 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.747 -3.509 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.876 -2.401 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.521 -0.779 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.833 -1.171 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.755 -5.184 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.413 -4.797 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.023 -4.123 -3.507 1.00 0.00 H new ATOM 636 N SER A 105 -5.154 -0.854 0.332 1.00 0.00 N ATOM 637 CA SER A 105 -5.831 -1.083 1.587 1.00 0.00 C ATOM 638 C SER A 105 -7.337 -1.299 1.416 1.00 0.00 C ATOM 639 O SER A 105 -7.910 -1.079 0.321 1.00 0.00 O ATOM 640 CB SER A 105 -5.548 0.080 2.551 1.00 0.00 C ATOM 641 OG SER A 105 -4.147 0.192 2.822 1.00 0.00 O ATOM 0 H SER A 105 -5.723 -0.413 -0.391 1.00 0.00 H new ATOM 0 HA SER A 105 -5.436 -2.007 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.914 1.012 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.091 -0.075 3.483 1.00 0.00 H new ATOM 0 HG SER A 105 -4.004 0.840 3.543 1.00 0.00 H new ATOM 647 N ARG A 106 -7.966 -1.724 2.498 1.00 0.00 N ATOM 648 CA ARG A 106 -9.383 -1.993 2.531 1.00 0.00 C ATOM 649 C ARG A 106 -10.165 -0.700 2.609 1.00 0.00 C ATOM 650 O ARG A 106 -11.171 -0.545 1.943 1.00 0.00 O ATOM 651 CB ARG A 106 -9.739 -2.903 3.717 1.00 0.00 C ATOM 652 CG ARG A 106 -11.224 -3.220 3.831 1.00 0.00 C ATOM 653 CD ARG A 106 -11.724 -3.928 2.587 1.00 0.00 C ATOM 654 NE ARG A 106 -11.086 -5.236 2.407 1.00 0.00 N ATOM 655 CZ ARG A 106 -10.802 -5.806 1.233 1.00 0.00 C ATOM 656 NH1 ARG A 106 -10.959 -5.128 0.092 1.00 0.00 N ATOM 657 NH2 ARG A 106 -10.329 -7.051 1.203 1.00 0.00 N ATOM 0 H ARG A 106 -7.496 -1.892 3.387 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.652 -2.510 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.185 -3.837 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.408 -2.426 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.400 -3.846 4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.786 -2.298 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.804 -4.057 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.530 -3.306 1.713 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.838 -5.754 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.298 -4.166 0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.739 -5.572 -0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.186 -7.563 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.110 -7.492 0.310 1.00 0.00 H new ATOM 671 N ASN A 107 -9.722 0.205 3.419 1.00 0.00 N ATOM 672 CA ASN A 107 -10.388 1.468 3.536 1.00 0.00 C ATOM 673 C ASN A 107 -9.342 2.559 3.620 1.00 0.00 C ATOM 674 O ASN A 107 -8.760 2.797 4.679 1.00 0.00 O ATOM 675 CB ASN A 107 -11.327 1.476 4.749 1.00 0.00 C ATOM 676 CG ASN A 107 -12.202 2.708 4.819 1.00 0.00 C ATOM 677 OD1 ASN A 107 -13.303 2.736 4.282 1.00 0.00 O ATOM 678 ND2 ASN A 107 -11.721 3.719 5.468 1.00 0.00 N ATOM 0 H ASN A 107 -8.900 0.096 4.013 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.011 1.646 2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.961 0.590 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.733 1.408 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.263 4.579 5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.800 3.655 5.901 1.00 0.00 H new ATOM 685 N ILE A 108 -9.100 3.185 2.479 1.00 0.00 N ATOM 686 CA ILE A 108 -8.037 4.177 2.270 1.00 0.00 C ATOM 687 C ILE A 108 -7.908 5.212 3.401 1.00 0.00 C ATOM 688 O ILE A 108 -6.853 5.309 4.003 1.00 0.00 O ATOM 689 CB ILE A 108 -8.167 4.877 0.883 1.00 0.00 C ATOM 690 CG1 ILE A 108 -8.100 3.829 -0.246 1.00 0.00 C ATOM 691 CG2 ILE A 108 -7.066 5.918 0.699 1.00 0.00 C ATOM 692 CD1 ILE A 108 -8.246 4.402 -1.643 1.00 0.00 C ATOM 0 H ILE A 108 -9.653 3.016 1.639 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.110 3.605 2.286 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.131 5.385 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.148 3.302 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.885 3.090 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.175 6.395 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.143 6.672 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.092 5.432 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.187 3.596 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.210 4.903 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.446 5.119 -1.828 1.00 0.00 H new ATOM 704 N ALA A 109 -8.981 5.946 3.700 1.00 0.00 N ATOM 705 CA ALA A 109 -8.964 6.979 4.770 1.00 0.00 C ATOM 706 C ALA A 109 -8.448 6.440 6.103 1.00 0.00 C ATOM 707 O ALA A 109 -7.637 7.084 6.772 1.00 0.00 O ATOM 708 CB ALA A 109 -10.347 7.576 4.954 1.00 0.00 C ATOM 0 H ALA A 109 -9.878 5.854 3.224 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.270 7.754 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.316 8.330 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.671 8.038 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.049 6.790 5.232 1.00 0.00 H new ATOM 714 N ALA A 110 -8.876 5.243 6.448 1.00 0.00 N ATOM 715 CA ALA A 110 -8.493 4.625 7.704 1.00 0.00 C ATOM 716 C ALA A 110 -7.028 4.250 7.672 1.00 0.00 C ATOM 717 O ALA A 110 -6.303 4.481 8.632 1.00 0.00 O ATOM 718 CB ALA A 110 -9.355 3.404 7.993 1.00 0.00 C ATOM 0 H ALA A 110 -9.495 4.673 5.871 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.653 5.344 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.049 2.958 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.401 3.704 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.233 2.675 7.192 1.00 0.00 H new ATOM 724 N SER A 111 -6.598 3.720 6.546 1.00 0.00 N ATOM 725 CA SER A 111 -5.229 3.304 6.351 1.00 0.00 C ATOM 726 C SER A 111 -4.285 4.511 6.371 1.00 0.00 C ATOM 727 O SER A 111 -3.265 4.516 7.100 1.00 0.00 O ATOM 728 CB SER A 111 -5.110 2.544 5.031 1.00 0.00 C ATOM 729 OG SER A 111 -3.803 2.050 4.823 1.00 0.00 O ATOM 0 H SER A 111 -7.196 3.565 5.734 1.00 0.00 H new ATOM 0 HA SER A 111 -4.939 2.644 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.817 1.714 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.384 3.203 4.207 1.00 0.00 H new ATOM 0 HG SER A 111 -3.404 2.497 4.048 1.00 0.00 H new ATOM 735 N VAL A 112 -4.641 5.536 5.601 1.00 0.00 N ATOM 736 CA VAL A 112 -3.865 6.754 5.504 1.00 0.00 C ATOM 737 C VAL A 112 -3.696 7.377 6.881 1.00 0.00 C ATOM 738 O VAL A 112 -2.561 7.582 7.339 1.00 0.00 O ATOM 739 CB VAL A 112 -4.518 7.769 4.504 1.00 0.00 C ATOM 740 CG1 VAL A 112 -3.806 9.112 4.520 1.00 0.00 C ATOM 741 CG2 VAL A 112 -4.491 7.205 3.093 1.00 0.00 C ATOM 0 H VAL A 112 -5.483 5.538 5.026 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.880 6.501 5.112 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.549 7.923 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.288 9.788 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.856 9.538 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.763 8.974 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.947 7.919 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.459 7.023 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.048 6.268 3.065 1.00 0.00 H new ATOM 751 N SER A 113 -4.807 7.591 7.567 1.00 0.00 N ATOM 752 CA SER A 113 -4.780 8.188 8.886 1.00 0.00 C ATOM 753 C SER A 113 -4.014 7.294 9.895 1.00 0.00 C ATOM 754 O SER A 113 -3.293 7.801 10.757 1.00 0.00 O ATOM 755 CB SER A 113 -6.214 8.480 9.371 1.00 0.00 C ATOM 756 OG SER A 113 -6.221 9.228 10.577 1.00 0.00 O ATOM 0 H SER A 113 -5.740 7.358 7.228 1.00 0.00 H new ATOM 0 HA SER A 113 -4.242 9.134 8.822 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.754 9.029 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.745 7.540 9.523 1.00 0.00 H new ATOM 0 HG SER A 113 -7.146 9.395 10.853 1.00 0.00 H new ATOM 762 N ALA A 114 -4.130 5.972 9.760 1.00 0.00 N ATOM 763 CA ALA A 114 -3.475 5.055 10.687 1.00 0.00 C ATOM 764 C ALA A 114 -1.962 5.212 10.671 1.00 0.00 C ATOM 765 O ALA A 114 -1.365 5.641 11.661 1.00 0.00 O ATOM 766 CB ALA A 114 -3.848 3.607 10.395 1.00 0.00 C ATOM 0 H ALA A 114 -4.668 5.517 9.022 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.833 5.315 11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.343 2.951 11.104 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.927 3.483 10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.542 3.350 9.381 1.00 0.00 H new ATOM 772 N HIS A 115 -1.345 4.963 9.532 1.00 0.00 N ATOM 773 CA HIS A 115 0.117 4.969 9.497 1.00 0.00 C ATOM 774 C HIS A 115 0.731 6.357 9.436 1.00 0.00 C ATOM 775 O HIS A 115 1.874 6.528 9.831 1.00 0.00 O ATOM 776 CB HIS A 115 0.740 4.021 8.448 1.00 0.00 C ATOM 777 CG HIS A 115 0.363 4.282 7.027 1.00 0.00 C ATOM 778 ND1 HIS A 115 0.902 5.303 6.263 1.00 0.00 N ATOM 779 CD2 HIS A 115 -0.512 3.647 6.232 1.00 0.00 C ATOM 780 CE1 HIS A 115 0.360 5.270 5.064 1.00 0.00 C ATOM 781 NE2 HIS A 115 -0.498 4.272 5.027 1.00 0.00 N ATOM 0 H HIS A 115 -1.806 4.760 8.645 1.00 0.00 H new ATOM 0 HA HIS A 115 0.386 4.555 10.469 1.00 0.00 H new ATOM 0 HB2 HIS A 115 1.825 4.080 8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 115 0.456 2.998 8.697 1.00 0.00 H new ATOM 0 HD1 HIS A 115 1.605 5.972 6.578 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -1.117 2.794 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.581 5.945 4.251 1.00 0.00 H new ATOM 790 N LEU A 116 -0.006 7.356 8.964 1.00 0.00 N ATOM 791 CA LEU A 116 0.562 8.708 8.922 1.00 0.00 C ATOM 792 C LEU A 116 0.573 9.345 10.294 1.00 0.00 C ATOM 793 O LEU A 116 1.382 10.206 10.573 1.00 0.00 O ATOM 794 CB LEU A 116 -0.124 9.615 7.899 1.00 0.00 C ATOM 795 CG LEU A 116 0.113 9.280 6.420 1.00 0.00 C ATOM 796 CD1 LEU A 116 -0.627 10.263 5.542 1.00 0.00 C ATOM 797 CD2 LEU A 116 1.599 9.313 6.087 1.00 0.00 C ATOM 0 H LEU A 116 -0.961 7.269 8.617 1.00 0.00 H new ATOM 0 HA LEU A 116 1.594 8.593 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.197 9.590 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.207 10.639 8.074 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.262 8.273 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.453 10.018 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.695 10.209 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.268 11.272 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.741 9.072 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.995 10.308 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.126 8.582 6.700 1.00 0.00 H new ATOM 809 N LYS A 117 -0.315 8.912 11.156 1.00 0.00 N ATOM 810 CA LYS A 117 -0.305 9.416 12.510 1.00 0.00 C ATOM 811 C LYS A 117 0.633 8.573 13.369 1.00 0.00 C ATOM 812 O LYS A 117 1.086 9.009 14.428 1.00 0.00 O ATOM 813 CB LYS A 117 -1.713 9.491 13.093 1.00 0.00 C ATOM 814 CG LYS A 117 -2.659 10.416 12.321 1.00 0.00 C ATOM 815 CD LYS A 117 -2.163 11.852 12.311 1.00 0.00 C ATOM 816 CE LYS A 117 -3.090 12.762 11.524 1.00 0.00 C ATOM 817 NZ LYS A 117 -2.659 14.171 11.596 1.00 0.00 N ATOM 0 H LYS A 117 -1.041 8.225 10.952 1.00 0.00 H new ATOM 0 HA LYS A 117 0.073 10.438 12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.140 8.488 13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.650 9.833 14.126 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.759 10.059 11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.651 10.378 12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -2.080 12.215 13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.163 11.889 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -3.117 12.442 10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.105 12.671 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.315 14.763 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.658 14.483 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.700 14.261 11.203 1.00 0.00 H new ATOM 831 N SER A 118 0.942 7.374 12.886 1.00 0.00 N ATOM 832 CA SER A 118 1.903 6.517 13.547 1.00 0.00 C ATOM 833 C SER A 118 3.314 7.068 13.290 1.00 0.00 C ATOM 834 O SER A 118 4.113 7.238 14.225 1.00 0.00 O ATOM 835 CB SER A 118 1.786 5.061 13.050 1.00 0.00 C ATOM 836 OG SER A 118 0.492 4.498 13.314 1.00 0.00 O ATOM 0 H SER A 118 0.537 6.979 12.037 1.00 0.00 H new ATOM 0 HA SER A 118 1.701 6.509 14.618 1.00 0.00 H new ATOM 0 HB2 SER A 118 1.982 5.028 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 118 2.550 4.452 13.533 1.00 0.00 H new ATOM 0 HG SER A 118 -0.183 4.965 12.779 1.00 0.00 H new ATOM 842 N VAL A 119 3.587 7.393 12.028 1.00 0.00 N ATOM 843 CA VAL A 119 4.854 7.958 11.614 1.00 0.00 C ATOM 844 C VAL A 119 4.625 9.089 10.573 1.00 0.00 C ATOM 845 O VAL A 119 4.459 8.845 9.369 1.00 0.00 O ATOM 846 CB VAL A 119 5.857 6.862 11.101 1.00 0.00 C ATOM 847 CG1 VAL A 119 5.263 6.007 9.989 1.00 0.00 C ATOM 848 CG2 VAL A 119 7.183 7.483 10.664 1.00 0.00 C ATOM 0 H VAL A 119 2.924 7.268 11.263 1.00 0.00 H new ATOM 0 HA VAL A 119 5.328 8.402 12.490 1.00 0.00 H new ATOM 0 HB VAL A 119 6.053 6.199 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.995 5.265 9.670 1.00 0.00 H new ATOM 0 HG12 VAL A 119 4.370 5.501 10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.998 6.642 9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.854 6.699 10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 119 7.004 8.193 9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.638 8.001 11.508 1.00 0.00 H new ATOM 858 N PRO A 120 4.572 10.346 11.042 1.00 0.00 N ATOM 859 CA PRO A 120 4.292 11.532 10.197 1.00 0.00 C ATOM 860 C PRO A 120 5.455 11.971 9.281 1.00 0.00 C ATOM 861 O PRO A 120 5.505 13.138 8.832 1.00 0.00 O ATOM 862 CB PRO A 120 3.995 12.641 11.224 1.00 0.00 C ATOM 863 CG PRO A 120 3.863 11.950 12.536 1.00 0.00 C ATOM 864 CD PRO A 120 4.714 10.730 12.448 1.00 0.00 C ATOM 0 HA PRO A 120 3.482 11.311 9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 120 4.798 13.377 11.248 1.00 0.00 H new ATOM 0 HB3 PRO A 120 3.080 13.176 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.190 12.595 13.351 1.00 0.00 H new ATOM 0 HG3 PRO A 120 2.824 11.687 12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.751 10.939 12.709 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.368 9.945 13.120 1.00 0.00 H new ATOM 872 N GLU A 121 6.348 11.049 8.951 1.00 0.00 N ATOM 873 CA GLU A 121 7.492 11.368 8.115 1.00 0.00 C ATOM 874 C GLU A 121 7.019 11.760 6.714 1.00 0.00 C ATOM 875 O GLU A 121 7.424 12.785 6.165 1.00 0.00 O ATOM 876 CB GLU A 121 8.454 10.172 8.026 1.00 0.00 C ATOM 877 CG GLU A 121 9.713 10.458 7.210 1.00 0.00 C ATOM 878 CD GLU A 121 10.653 9.277 7.097 1.00 0.00 C ATOM 879 OE1 GLU A 121 11.420 9.011 8.054 1.00 0.00 O ATOM 880 OE2 GLU A 121 10.682 8.622 6.040 1.00 0.00 O ATOM 0 H GLU A 121 6.301 10.075 9.250 1.00 0.00 H new ATOM 0 HA GLU A 121 8.025 12.206 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.744 9.874 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.928 9.326 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.421 10.774 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.247 11.292 7.665 1.00 0.00 H new ATOM 887 N LEU A 122 6.078 11.014 6.201 1.00 0.00 N ATOM 888 CA LEU A 122 5.625 11.216 4.841 1.00 0.00 C ATOM 889 C LEU A 122 4.336 12.022 4.779 1.00 0.00 C ATOM 890 O LEU A 122 3.641 12.009 3.778 1.00 0.00 O ATOM 891 CB LEU A 122 5.465 9.873 4.127 1.00 0.00 C ATOM 892 CG LEU A 122 6.711 8.983 4.072 1.00 0.00 C ATOM 893 CD1 LEU A 122 6.451 7.752 3.229 1.00 0.00 C ATOM 894 CD2 LEU A 122 7.906 9.746 3.542 1.00 0.00 C ATOM 0 H LEU A 122 5.607 10.259 6.700 1.00 0.00 H new ATOM 0 HA LEU A 122 6.388 11.799 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.668 9.316 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.136 10.065 3.106 1.00 0.00 H new ATOM 0 HG LEU A 122 6.939 8.665 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.348 7.133 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.629 7.182 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.189 8.054 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.775 9.088 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.691 10.105 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.114 10.595 4.194 1.00 0.00 H new ATOM 906 N CYS A 123 4.033 12.747 5.831 1.00 0.00 N ATOM 907 CA CYS A 123 2.856 13.580 5.837 1.00 0.00 C ATOM 908 C CYS A 123 3.041 14.828 4.971 1.00 0.00 C ATOM 909 O CYS A 123 3.632 15.826 5.399 1.00 0.00 O ATOM 910 CB CYS A 123 2.437 13.950 7.257 1.00 0.00 C ATOM 911 SG CYS A 123 1.903 12.543 8.240 1.00 0.00 S ATOM 0 H CYS A 123 4.583 12.776 6.689 1.00 0.00 H new ATOM 0 HA CYS A 123 2.048 12.995 5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 123 3.274 14.436 7.759 1.00 0.00 H new ATOM 0 HB3 CYS A 123 1.627 14.678 7.210 1.00 0.00 H new ATOM 0 HG CYS A 123 0.621 12.618 8.444 1.00 0.00 H new ATOM 917 N GLY A 124 2.607 14.722 3.740 1.00 0.00 N ATOM 918 CA GLY A 124 2.607 15.834 2.834 1.00 0.00 C ATOM 919 C GLY A 124 1.303 15.880 2.089 1.00 0.00 C ATOM 920 O GLY A 124 0.464 16.755 2.321 1.00 0.00 O ATOM 0 H GLY A 124 2.243 13.857 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 124 2.756 16.763 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.435 15.743 2.131 1.00 0.00 H new ATOM 924 N SER A 125 1.100 14.909 1.251 1.00 0.00 N ATOM 925 CA SER A 125 -0.111 14.785 0.487 1.00 0.00 C ATOM 926 C SER A 125 -0.266 13.355 0.009 1.00 0.00 C ATOM 927 O SER A 125 0.691 12.593 0.042 1.00 0.00 O ATOM 928 CB SER A 125 -0.121 15.793 -0.666 1.00 0.00 C ATOM 929 OG SER A 125 1.123 15.797 -1.363 1.00 0.00 O ATOM 0 H SER A 125 1.779 14.168 1.074 1.00 0.00 H new ATOM 0 HA SER A 125 -0.970 15.018 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.927 15.549 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.326 16.791 -0.278 1.00 0.00 H new ATOM 0 HG SER A 125 1.086 16.448 -2.094 1.00 0.00 H new ATOM 935 N VAL A 126 -1.437 12.987 -0.400 1.00 0.00 N ATOM 936 CA VAL A 126 -1.681 11.639 -0.823 1.00 0.00 C ATOM 937 C VAL A 126 -2.543 11.626 -2.086 1.00 0.00 C ATOM 938 O VAL A 126 -3.436 12.455 -2.251 1.00 0.00 O ATOM 939 CB VAL A 126 -2.353 10.812 0.339 1.00 0.00 C ATOM 940 CG1 VAL A 126 -3.708 11.385 0.738 1.00 0.00 C ATOM 941 CG2 VAL A 126 -2.465 9.328 0.005 1.00 0.00 C ATOM 0 H VAL A 126 -2.248 13.604 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 126 -0.729 11.166 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 126 -1.689 10.902 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.135 10.784 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.582 12.412 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -4.377 11.369 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.934 8.802 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.071 9.202 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.470 8.918 -0.168 1.00 0.00 H new ATOM 951 N LYS A 127 -2.232 10.738 -2.986 1.00 0.00 N ATOM 952 CA LYS A 127 -3.041 10.540 -4.161 1.00 0.00 C ATOM 953 C LYS A 127 -3.793 9.250 -3.982 1.00 0.00 C ATOM 954 O LYS A 127 -3.197 8.230 -3.671 1.00 0.00 O ATOM 955 CB LYS A 127 -2.218 10.522 -5.480 1.00 0.00 C ATOM 956 CG LYS A 127 -1.660 11.875 -5.907 1.00 0.00 C ATOM 957 CD LYS A 127 -1.099 11.850 -7.337 1.00 0.00 C ATOM 958 CE LYS A 127 -0.616 13.240 -7.772 1.00 0.00 C ATOM 959 NZ LYS A 127 -0.135 13.279 -9.183 1.00 0.00 N ATOM 0 H LYS A 127 -1.414 10.131 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 127 -3.723 11.384 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -1.389 9.824 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -2.850 10.137 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -2.446 12.627 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.873 12.175 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.272 11.142 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.868 11.498 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.430 13.955 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.189 13.561 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.423 14.176 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.902 13.203 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.548 12.485 -9.713 1.00 0.00 H new ATOM 973 N VAL A 128 -5.087 9.295 -4.121 1.00 0.00 N ATOM 974 CA VAL A 128 -5.898 8.118 -3.875 1.00 0.00 C ATOM 975 C VAL A 128 -6.547 7.617 -5.150 1.00 0.00 C ATOM 976 O VAL A 128 -7.083 8.401 -5.943 1.00 0.00 O ATOM 977 CB VAL A 128 -6.972 8.352 -2.769 1.00 0.00 C ATOM 978 CG1 VAL A 128 -6.318 8.718 -1.449 1.00 0.00 C ATOM 979 CG2 VAL A 128 -7.970 9.425 -3.178 1.00 0.00 C ATOM 0 H VAL A 128 -5.609 10.125 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.218 7.349 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 128 -7.517 7.416 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -7.087 8.876 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.660 7.909 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -5.737 9.632 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -8.704 9.561 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -7.444 10.364 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.478 9.119 -4.093 1.00 0.00 H new ATOM 989 N GLY A 129 -6.472 6.337 -5.361 1.00 0.00 N ATOM 990 CA GLY A 129 -7.044 5.752 -6.518 1.00 0.00 C ATOM 991 C GLY A 129 -7.997 4.664 -6.154 1.00 0.00 C ATOM 992 O GLY A 129 -7.587 3.548 -5.794 1.00 0.00 O ATOM 0 H GLY A 129 -6.012 5.678 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.563 6.516 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.255 5.351 -7.154 1.00 0.00 H new ATOM 996 N ILE A 130 -9.255 4.975 -6.205 1.00 0.00 N ATOM 997 CA ILE A 130 -10.277 4.010 -5.927 1.00 0.00 C ATOM 998 C ILE A 130 -10.531 3.262 -7.198 1.00 0.00 C ATOM 999 O ILE A 130 -11.034 3.807 -8.176 1.00 0.00 O ATOM 1000 CB ILE A 130 -11.606 4.626 -5.350 1.00 0.00 C ATOM 1001 CG1 ILE A 130 -11.399 5.247 -3.944 1.00 0.00 C ATOM 1002 CG2 ILE A 130 -12.710 3.570 -5.284 1.00 0.00 C ATOM 1003 CD1 ILE A 130 -10.524 6.485 -3.889 1.00 0.00 C ATOM 0 H ILE A 130 -9.604 5.904 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 130 -9.925 3.349 -5.135 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.905 5.422 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -12.376 5.498 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.963 4.489 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -13.619 4.018 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -12.907 3.186 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.393 2.752 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -10.449 6.832 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.529 6.244 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.964 7.269 -4.505 1.00 0.00 H new ATOM 1015 N VAL A 131 -10.129 2.044 -7.201 1.00 0.00 N ATOM 1016 CA VAL A 131 -10.185 1.249 -8.385 1.00 0.00 C ATOM 1017 C VAL A 131 -11.572 0.640 -8.574 1.00 0.00 C ATOM 1018 O VAL A 131 -12.382 0.641 -7.640 1.00 0.00 O ATOM 1019 CB VAL A 131 -9.078 0.166 -8.381 1.00 0.00 C ATOM 1020 CG1 VAL A 131 -7.696 0.814 -8.399 1.00 0.00 C ATOM 1021 CG2 VAL A 131 -9.204 -0.739 -7.174 1.00 0.00 C ATOM 0 H VAL A 131 -9.750 1.564 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 131 -9.999 1.901 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.201 -0.438 -9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.930 0.038 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.592 1.423 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -7.578 1.444 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.414 -1.489 -7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.114 -0.146 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -10.175 -1.234 -7.190 1.00 0.00 H new ATOM 1031 N GLU A 132 -11.838 0.157 -9.780 1.00 0.00 N ATOM 1032 CA GLU A 132 -13.134 -0.421 -10.136 1.00 0.00 C ATOM 1033 C GLU A 132 -13.463 -1.609 -9.244 1.00 0.00 C ATOM 1034 O GLU A 132 -14.413 -1.578 -8.472 1.00 0.00 O ATOM 1035 CB GLU A 132 -13.112 -0.882 -11.590 1.00 0.00 C ATOM 1036 CG GLU A 132 -12.781 0.204 -12.596 1.00 0.00 C ATOM 1037 CD GLU A 132 -12.674 -0.345 -13.991 1.00 0.00 C ATOM 1038 OE1 GLU A 132 -11.566 -0.758 -14.376 1.00 0.00 O ATOM 1039 OE2 GLU A 132 -13.706 -0.405 -14.709 1.00 0.00 O ATOM 0 H GLU A 132 -11.162 0.153 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.896 0.346 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.383 -1.686 -11.691 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.086 -1.303 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.551 0.975 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -11.841 0.682 -12.320 1.00 0.00 H new ATOM 1046 N GLU A 133 -12.641 -2.625 -9.334 1.00 0.00 N ATOM 1047 CA GLU A 133 -12.844 -3.839 -8.588 1.00 0.00 C ATOM 1048 C GLU A 133 -11.942 -3.815 -7.376 1.00 0.00 C ATOM 1049 O GLU A 133 -10.840 -3.305 -7.456 1.00 0.00 O ATOM 1050 CB GLU A 133 -12.428 -5.053 -9.437 1.00 0.00 C ATOM 1051 CG GLU A 133 -13.030 -5.119 -10.827 1.00 0.00 C ATOM 1052 CD GLU A 133 -14.526 -5.133 -10.818 1.00 0.00 C ATOM 1053 OE1 GLU A 133 -15.117 -6.184 -10.519 1.00 0.00 O ATOM 1054 OE2 GLU A 133 -15.136 -4.106 -11.159 1.00 0.00 O ATOM 0 H GLU A 133 -11.812 -2.632 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 133 -13.895 -3.912 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.342 -5.053 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.701 -5.961 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.684 -4.264 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -12.667 -6.014 -11.332 1.00 0.00 H new ATOM 1061 N PRO A 134 -12.358 -4.387 -6.251 1.00 0.00 N ATOM 1062 CA PRO A 134 -11.484 -4.541 -5.072 1.00 0.00 C ATOM 1063 C PRO A 134 -10.587 -5.797 -5.239 1.00 0.00 C ATOM 1064 O PRO A 134 -10.179 -6.443 -4.272 1.00 0.00 O ATOM 1065 CB PRO A 134 -12.493 -4.747 -3.935 1.00 0.00 C ATOM 1066 CG PRO A 134 -13.664 -5.414 -4.578 1.00 0.00 C ATOM 1067 CD PRO A 134 -13.722 -4.910 -6.003 1.00 0.00 C ATOM 0 HA PRO A 134 -10.810 -3.700 -4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -12.073 -5.365 -3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -12.778 -3.797 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -13.553 -6.498 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -14.585 -5.177 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -13.976 -5.709 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -14.476 -4.132 -6.121 1.00 0.00 H new ATOM 1075 N ASP A 135 -10.246 -6.065 -6.480 1.00 0.00 N ATOM 1076 CA ASP A 135 -9.539 -7.262 -6.895 1.00 0.00 C ATOM 1077 C ASP A 135 -8.063 -7.158 -6.553 1.00 0.00 C ATOM 1078 O ASP A 135 -7.436 -6.134 -6.813 1.00 0.00 O ATOM 1079 CB ASP A 135 -9.690 -7.436 -8.407 1.00 0.00 C ATOM 1080 CG ASP A 135 -9.269 -8.796 -8.877 1.00 0.00 C ATOM 1081 OD1 ASP A 135 -8.081 -8.998 -9.161 1.00 0.00 O ATOM 1082 OD2 ASP A 135 -10.123 -9.688 -8.979 1.00 0.00 O ATOM 0 H ASP A 135 -10.459 -5.437 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 135 -9.963 -8.118 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -10.730 -7.265 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -9.094 -6.679 -8.917 1.00 0.00 H new ATOM 1087 N LYS A 136 -7.512 -8.224 -6.009 1.00 0.00 N ATOM 1088 CA LYS A 136 -6.108 -8.278 -5.608 1.00 0.00 C ATOM 1089 C LYS A 136 -5.148 -8.019 -6.768 1.00 0.00 C ATOM 1090 O LYS A 136 -4.077 -7.430 -6.570 1.00 0.00 O ATOM 1091 CB LYS A 136 -5.791 -9.623 -4.942 1.00 0.00 C ATOM 1092 CG LYS A 136 -6.392 -9.789 -3.548 1.00 0.00 C ATOM 1093 CD LYS A 136 -5.648 -8.968 -2.497 1.00 0.00 C ATOM 1094 CE LYS A 136 -4.239 -9.510 -2.270 1.00 0.00 C ATOM 1095 NZ LYS A 136 -3.488 -8.726 -1.274 1.00 0.00 N ATOM 0 H LYS A 136 -8.024 -9.087 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 136 -5.957 -7.473 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -6.156 -10.427 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -4.709 -9.736 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -7.439 -9.487 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -6.369 -10.842 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -5.593 -7.927 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -6.203 -8.985 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -4.301 -10.547 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -3.695 -9.508 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -2.539 -9.134 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -3.404 -7.742 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -3.990 -8.749 -0.364 1.00 0.00 H new ATOM 1109 N ALA A 137 -5.530 -8.407 -7.974 1.00 0.00 N ATOM 1110 CA ALA A 137 -4.664 -8.208 -9.118 1.00 0.00 C ATOM 1111 C ALA A 137 -4.630 -6.748 -9.508 1.00 0.00 C ATOM 1112 O ALA A 137 -3.558 -6.181 -9.687 1.00 0.00 O ATOM 1113 CB ALA A 137 -5.090 -9.062 -10.298 1.00 0.00 C ATOM 0 H ALA A 137 -6.422 -8.855 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 137 -3.660 -8.520 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.417 -8.885 -11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.052 -10.115 -10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -6.108 -8.800 -10.588 1.00 0.00 H new ATOM 1119 N VAL A 138 -5.800 -6.125 -9.569 1.00 0.00 N ATOM 1120 CA VAL A 138 -5.897 -4.731 -9.984 1.00 0.00 C ATOM 1121 C VAL A 138 -5.268 -3.804 -8.931 1.00 0.00 C ATOM 1122 O VAL A 138 -4.683 -2.776 -9.269 1.00 0.00 O ATOM 1123 CB VAL A 138 -7.366 -4.294 -10.321 1.00 0.00 C ATOM 1124 CG1 VAL A 138 -8.014 -5.233 -11.321 1.00 0.00 C ATOM 1125 CG2 VAL A 138 -8.224 -4.134 -9.082 1.00 0.00 C ATOM 0 H VAL A 138 -6.693 -6.561 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 138 -5.331 -4.639 -10.911 1.00 0.00 H new ATOM 0 HB VAL A 138 -7.295 -3.310 -10.785 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -9.030 -4.898 -11.529 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -7.436 -5.235 -12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -8.042 -6.241 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -9.230 -3.831 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -8.271 -5.083 -8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -7.789 -3.373 -8.434 1.00 0.00 H new ATOM 1135 N LEU A 139 -5.371 -4.202 -7.663 1.00 0.00 N ATOM 1136 CA LEU A 139 -4.769 -3.462 -6.564 1.00 0.00 C ATOM 1137 C LEU A 139 -3.257 -3.489 -6.690 1.00 0.00 C ATOM 1138 O LEU A 139 -2.605 -2.443 -6.685 1.00 0.00 O ATOM 1139 CB LEU A 139 -5.187 -4.055 -5.206 1.00 0.00 C ATOM 1140 CG LEU A 139 -6.667 -3.944 -4.824 1.00 0.00 C ATOM 1141 CD1 LEU A 139 -6.926 -4.658 -3.510 1.00 0.00 C ATOM 1142 CD2 LEU A 139 -7.085 -2.489 -4.715 1.00 0.00 C ATOM 0 H LEU A 139 -5.872 -5.042 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 139 -5.121 -2.432 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -4.913 -5.110 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -4.599 -3.568 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 139 -7.259 -4.417 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.981 -4.571 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.662 -5.711 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -6.321 -4.205 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -8.139 -2.433 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.486 -1.995 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -6.931 -1.993 -5.673 1.00 0.00 H new ATOM 1154 N THR A 140 -2.714 -4.684 -6.850 1.00 0.00 N ATOM 1155 CA THR A 140 -1.282 -4.868 -6.957 1.00 0.00 C ATOM 1156 C THR A 140 -0.742 -4.212 -8.245 1.00 0.00 C ATOM 1157 O THR A 140 0.350 -3.650 -8.252 1.00 0.00 O ATOM 1158 CB THR A 140 -0.929 -6.376 -6.928 1.00 0.00 C ATOM 1159 OG1 THR A 140 -1.559 -6.984 -5.779 1.00 0.00 O ATOM 1160 CG2 THR A 140 0.580 -6.590 -6.839 1.00 0.00 C ATOM 0 H THR A 140 -3.253 -5.548 -6.909 1.00 0.00 H new ATOM 0 HA THR A 140 -0.809 -4.383 -6.103 1.00 0.00 H new ATOM 0 HB THR A 140 -1.288 -6.832 -7.851 1.00 0.00 H new ATOM 0 HG1 THR A 140 -2.407 -7.395 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 140 0.796 -7.658 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 140 1.063 -6.137 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 140 0.960 -6.127 -5.928 1.00 0.00 H new ATOM 1168 N GLN A 141 -1.540 -4.264 -9.309 1.00 0.00 N ATOM 1169 CA GLN A 141 -1.182 -3.670 -10.588 1.00 0.00 C ATOM 1170 C GLN A 141 -1.000 -2.166 -10.445 1.00 0.00 C ATOM 1171 O GLN A 141 0.044 -1.627 -10.814 1.00 0.00 O ATOM 1172 CB GLN A 141 -2.258 -3.967 -11.625 1.00 0.00 C ATOM 1173 CG GLN A 141 -1.952 -3.433 -13.008 1.00 0.00 C ATOM 1174 CD GLN A 141 -3.072 -3.705 -13.976 1.00 0.00 C ATOM 1175 OE1 GLN A 141 -3.104 -4.745 -14.633 1.00 0.00 O ATOM 1176 NE2 GLN A 141 -3.989 -2.788 -14.086 1.00 0.00 N ATOM 0 H GLN A 141 -2.452 -4.720 -9.305 1.00 0.00 H new ATOM 0 HA GLN A 141 -0.239 -4.106 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.398 -5.046 -11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -3.202 -3.542 -11.284 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -1.774 -2.359 -12.951 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -1.034 -3.889 -13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -3.930 -1.938 -13.525 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -4.767 -2.919 -14.733 1.00 0.00 H new ATOM 1185 N ALA A 142 -2.007 -1.504 -9.882 1.00 0.00 N ATOM 1186 CA ALA A 142 -1.967 -0.062 -9.696 1.00 0.00 C ATOM 1187 C ALA A 142 -0.826 0.325 -8.768 1.00 0.00 C ATOM 1188 O ALA A 142 -0.091 1.268 -9.044 1.00 0.00 O ATOM 1189 CB ALA A 142 -3.296 0.451 -9.177 1.00 0.00 C ATOM 0 H ALA A 142 -2.862 -1.948 -9.547 1.00 0.00 H new ATOM 0 HA ALA A 142 -1.787 0.406 -10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.243 1.532 -9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -4.083 0.211 -9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.519 -0.020 -8.220 1.00 0.00 H new ATOM 1195 N TRP A 143 -0.663 -0.454 -7.692 1.00 0.00 N ATOM 1196 CA TRP A 143 0.426 -0.279 -6.723 1.00 0.00 C ATOM 1197 C TRP A 143 1.768 -0.269 -7.459 1.00 0.00 C ATOM 1198 O TRP A 143 2.583 0.651 -7.305 1.00 0.00 O ATOM 1199 CB TRP A 143 0.385 -1.454 -5.703 1.00 0.00 C ATOM 1200 CG TRP A 143 1.474 -1.450 -4.655 1.00 0.00 C ATOM 1201 CD1 TRP A 143 1.418 -0.883 -3.419 1.00 0.00 C ATOM 1202 CD2 TRP A 143 2.776 -2.062 -4.755 1.00 0.00 C ATOM 1203 NE1 TRP A 143 2.605 -1.081 -2.751 1.00 0.00 N ATOM 1204 CE2 TRP A 143 3.455 -1.802 -3.551 1.00 0.00 C ATOM 1205 CE3 TRP A 143 3.431 -2.795 -5.752 1.00 0.00 C ATOM 1206 CZ2 TRP A 143 4.755 -2.247 -3.316 1.00 0.00 C ATOM 1207 CZ3 TRP A 143 4.718 -3.236 -5.521 1.00 0.00 C ATOM 1208 CH2 TRP A 143 5.370 -2.961 -4.313 1.00 0.00 C ATOM 0 H TRP A 143 -1.287 -1.229 -7.468 1.00 0.00 H new ATOM 0 HA TRP A 143 0.308 0.667 -6.194 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -0.581 -1.438 -5.197 1.00 0.00 H new ATOM 0 HB3 TRP A 143 0.441 -2.392 -6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 143 0.565 -0.354 -3.020 1.00 0.00 H new ATOM 0 HE1 TRP A 143 2.819 -0.745 -1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 143 2.937 -3.012 -6.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 5.259 -2.038 -2.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 5.231 -3.802 -6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 143 6.378 -3.318 -4.163 1.00 0.00 H new ATOM 1219 N LYS A 144 1.946 -1.288 -8.283 1.00 0.00 N ATOM 1220 CA LYS A 144 3.146 -1.508 -9.065 1.00 0.00 C ATOM 1221 C LYS A 144 3.414 -0.346 -10.008 1.00 0.00 C ATOM 1222 O LYS A 144 4.507 0.223 -10.004 1.00 0.00 O ATOM 1223 CB LYS A 144 2.982 -2.803 -9.860 1.00 0.00 C ATOM 1224 CG LYS A 144 4.126 -3.147 -10.784 1.00 0.00 C ATOM 1225 CD LYS A 144 3.798 -4.385 -11.593 1.00 0.00 C ATOM 1226 CE LYS A 144 4.910 -4.732 -12.554 1.00 0.00 C ATOM 1227 NZ LYS A 144 5.142 -3.671 -13.554 1.00 0.00 N ATOM 0 H LYS A 144 1.236 -2.006 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 144 3.999 -1.585 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 144 2.845 -3.625 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 144 2.069 -2.733 -10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 144 4.326 -2.310 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 144 5.033 -3.314 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 144 3.623 -5.224 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 144 2.874 -4.223 -12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 144 5.829 -4.907 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 144 4.667 -5.663 -13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 5.411 -4.102 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 4.272 -3.116 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 5.907 -3.047 -13.227 1.00 0.00 H new ATOM 1241 N LEU A 145 2.412 0.008 -10.793 1.00 0.00 N ATOM 1242 CA LEU A 145 2.534 1.069 -11.771 1.00 0.00 C ATOM 1243 C LEU A 145 2.919 2.384 -11.116 1.00 0.00 C ATOM 1244 O LEU A 145 3.887 3.019 -11.532 1.00 0.00 O ATOM 1245 CB LEU A 145 1.237 1.222 -12.572 1.00 0.00 C ATOM 1246 CG LEU A 145 0.776 -0.019 -13.345 1.00 0.00 C ATOM 1247 CD1 LEU A 145 -0.517 0.251 -14.081 1.00 0.00 C ATOM 1248 CD2 LEU A 145 1.856 -0.499 -14.304 1.00 0.00 C ATOM 0 H LEU A 145 1.492 -0.433 -10.769 1.00 0.00 H new ATOM 0 HA LEU A 145 3.333 0.794 -12.460 1.00 0.00 H new ATOM 0 HB2 LEU A 145 0.442 1.515 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.365 2.041 -13.280 1.00 0.00 H new ATOM 0 HG LEU A 145 0.593 -0.813 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -0.822 -0.645 -14.621 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -1.292 0.525 -13.366 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -0.370 1.068 -14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 145 1.502 -1.380 -14.839 1.00 0.00 H new ATOM 0 HD22 LEU A 145 2.086 0.291 -15.019 1.00 0.00 H new ATOM 0 HD23 LEU A 145 2.755 -0.752 -13.742 1.00 0.00 H new ATOM 1260 N TRP A 146 2.199 2.749 -10.070 1.00 0.00 N ATOM 1261 CA TRP A 146 2.419 4.003 -9.357 1.00 0.00 C ATOM 1262 C TRP A 146 3.831 4.116 -8.784 1.00 0.00 C ATOM 1263 O TRP A 146 4.509 5.145 -8.986 1.00 0.00 O ATOM 1264 CB TRP A 146 1.398 4.179 -8.241 1.00 0.00 C ATOM 1265 CG TRP A 146 -0.022 4.411 -8.693 1.00 0.00 C ATOM 1266 CD1 TRP A 146 -0.542 4.306 -9.957 1.00 0.00 C ATOM 1267 CD2 TRP A 146 -1.095 4.797 -7.856 1.00 0.00 C ATOM 1268 NE1 TRP A 146 -1.879 4.593 -9.936 1.00 0.00 N ATOM 1269 CE2 TRP A 146 -2.240 4.906 -8.657 1.00 0.00 C ATOM 1270 CE3 TRP A 146 -1.195 5.064 -6.501 1.00 0.00 C ATOM 1271 CZ2 TRP A 146 -3.468 5.268 -8.138 1.00 0.00 C ATOM 1272 CZ3 TRP A 146 -2.409 5.427 -5.988 1.00 0.00 C ATOM 1273 CH2 TRP A 146 -3.531 5.528 -6.801 1.00 0.00 C ATOM 0 H TRP A 146 1.441 2.184 -9.687 1.00 0.00 H new ATOM 0 HA TRP A 146 2.297 4.798 -10.092 1.00 0.00 H new ATOM 0 HB2 TRP A 146 1.420 3.291 -7.609 1.00 0.00 H new ATOM 0 HB3 TRP A 146 1.706 5.020 -7.620 1.00 0.00 H new ATOM 0 HD1 TRP A 146 0.021 4.037 -10.839 1.00 0.00 H new ATOM 0 HE1 TRP A 146 -2.503 4.576 -10.742 1.00 0.00 H new ATOM 0 HE3 TRP A 146 -0.329 4.987 -5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 -4.343 5.342 -8.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 -2.497 5.639 -4.933 1.00 0.00 H new ATOM 0 HH2 TRP A 146 -4.475 5.819 -6.364 1.00 0.00 H new ATOM 1284 N ILE A 147 4.289 3.073 -8.090 1.00 0.00 N ATOM 1285 CA ILE A 147 5.610 3.122 -7.482 1.00 0.00 C ATOM 1286 C ILE A 147 6.695 3.245 -8.551 1.00 0.00 C ATOM 1287 O ILE A 147 7.587 4.093 -8.439 1.00 0.00 O ATOM 1288 CB ILE A 147 5.902 1.931 -6.489 1.00 0.00 C ATOM 1289 CG1 ILE A 147 7.275 2.103 -5.820 1.00 0.00 C ATOM 1290 CG2 ILE A 147 5.796 0.564 -7.163 1.00 0.00 C ATOM 1291 CD1 ILE A 147 7.627 1.016 -4.819 1.00 0.00 C ATOM 0 H ILE A 147 3.775 2.205 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 147 5.626 4.019 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 147 5.129 1.965 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.042 2.129 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.300 3.068 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 147 6.007 -0.218 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 147 4.789 0.430 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 147 6.517 0.504 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 147 8.611 1.216 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 147 6.885 1.002 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 147 7.638 0.049 -5.321 1.00 0.00 H new ATOM 1303 N GLU A 148 6.552 2.479 -9.637 1.00 0.00 N ATOM 1304 CA GLU A 148 7.530 2.496 -10.709 1.00 0.00 C ATOM 1305 C GLU A 148 7.621 3.866 -11.367 1.00 0.00 C ATOM 1306 O GLU A 148 8.702 4.278 -11.766 1.00 0.00 O ATOM 1307 CB GLU A 148 7.282 1.401 -11.749 1.00 0.00 C ATOM 1308 CG GLU A 148 7.383 -0.012 -11.201 1.00 0.00 C ATOM 1309 CD GLU A 148 7.322 -1.059 -12.284 1.00 0.00 C ATOM 1310 OE1 GLU A 148 6.222 -1.425 -12.728 1.00 0.00 O ATOM 1311 OE2 GLU A 148 8.389 -1.529 -12.725 1.00 0.00 O ATOM 0 H GLU A 148 5.768 1.844 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 148 8.493 2.282 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.290 1.542 -12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 148 8.001 1.516 -12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 148 8.318 -0.118 -10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.573 -0.181 -10.491 1.00 0.00 H new ATOM 1318 N GLU A 149 6.494 4.581 -11.435 1.00 0.00 N ATOM 1319 CA GLU A 149 6.460 5.932 -12.005 1.00 0.00 C ATOM 1320 C GLU A 149 7.460 6.838 -11.290 1.00 0.00 C ATOM 1321 O GLU A 149 8.326 7.463 -11.918 1.00 0.00 O ATOM 1322 CB GLU A 149 5.063 6.558 -11.876 1.00 0.00 C ATOM 1323 CG GLU A 149 3.958 5.865 -12.648 1.00 0.00 C ATOM 1324 CD GLU A 149 4.173 5.887 -14.136 1.00 0.00 C ATOM 1325 OE1 GLU A 149 3.809 6.883 -14.778 1.00 0.00 O ATOM 1326 OE2 GLU A 149 4.692 4.906 -14.699 1.00 0.00 O ATOM 0 H GLU A 149 5.590 4.246 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 149 6.719 5.843 -13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 149 4.789 6.575 -10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 149 5.118 7.595 -12.208 1.00 0.00 H new ATOM 0 HG2 GLU A 149 3.883 4.830 -12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.007 6.344 -12.417 1.00 0.00 H new ATOM 1333 N HIS A 150 7.393 6.858 -9.969 1.00 0.00 N ATOM 1334 CA HIS A 150 8.243 7.754 -9.209 1.00 0.00 C ATOM 1335 C HIS A 150 9.677 7.210 -9.107 1.00 0.00 C ATOM 1336 O HIS A 150 10.631 7.974 -8.874 1.00 0.00 O ATOM 1337 CB HIS A 150 7.642 8.062 -7.845 1.00 0.00 C ATOM 1338 CG HIS A 150 7.889 9.469 -7.375 1.00 0.00 C ATOM 1339 ND1 HIS A 150 7.079 10.522 -7.739 1.00 0.00 N ATOM 1340 CD2 HIS A 150 8.821 9.999 -6.564 1.00 0.00 C ATOM 1341 CE1 HIS A 150 7.496 11.626 -7.176 1.00 0.00 C ATOM 1342 NE2 HIS A 150 8.553 11.346 -6.456 1.00 0.00 N ATOM 0 H HIS A 150 6.770 6.275 -9.410 1.00 0.00 H new ATOM 0 HA HIS A 150 8.302 8.700 -9.748 1.00 0.00 H new ATOM 0 HB2 HIS A 150 6.567 7.886 -7.884 1.00 0.00 H new ATOM 0 HB3 HIS A 150 8.053 7.367 -7.112 1.00 0.00 H new ATOM 0 HD1 HIS A 150 6.271 10.451 -8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 150 9.630 9.467 -6.086 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.046 12.601 -7.286 1.00 0.00 H new ATOM 1351 N ILE A 151 9.831 5.898 -9.302 1.00 0.00 N ATOM 1352 CA ILE A 151 11.157 5.260 -9.338 1.00 0.00 C ATOM 1353 C ILE A 151 11.916 5.700 -10.604 1.00 0.00 C ATOM 1354 O ILE A 151 13.139 5.839 -10.598 1.00 0.00 O ATOM 1355 CB ILE A 151 11.065 3.687 -9.299 1.00 0.00 C ATOM 1356 CG1 ILE A 151 10.485 3.206 -7.966 1.00 0.00 C ATOM 1357 CG2 ILE A 151 12.430 3.031 -9.544 1.00 0.00 C ATOM 1358 CD1 ILE A 151 10.340 1.696 -7.862 1.00 0.00 C ATOM 0 H ILE A 151 9.054 5.252 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 151 11.695 5.582 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 151 10.396 3.386 -10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 151 11.125 3.556 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 151 9.507 3.665 -7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 151 12.324 1.947 -9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 151 12.806 3.328 -10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 151 13.131 3.352 -8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 151 9.923 1.437 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 151 9.675 1.339 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 151 11.318 1.228 -7.974 1.00 0.00 H new ATOM 1370 N LYS A 152 11.183 5.941 -11.668 1.00 0.00 N ATOM 1371 CA LYS A 152 11.796 6.347 -12.923 1.00 0.00 C ATOM 1372 C LYS A 152 12.189 7.813 -12.889 1.00 0.00 C ATOM 1373 O LYS A 152 13.315 8.173 -13.244 1.00 0.00 O ATOM 1374 CB LYS A 152 10.856 6.095 -14.104 1.00 0.00 C ATOM 1375 CG LYS A 152 10.379 4.664 -14.236 1.00 0.00 C ATOM 1376 CD LYS A 152 11.515 3.687 -14.457 1.00 0.00 C ATOM 1377 CE LYS A 152 10.996 2.260 -14.514 1.00 0.00 C ATOM 1378 NZ LYS A 152 12.063 1.295 -14.848 1.00 0.00 N ATOM 0 H LYS A 152 10.166 5.865 -11.695 1.00 0.00 H new ATOM 0 HA LYS A 152 12.694 5.744 -13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 152 9.987 6.746 -14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 152 11.365 6.381 -15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 152 9.833 4.383 -13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 152 9.678 4.594 -15.068 1.00 0.00 H new ATOM 0 HD2 LYS A 152 12.032 3.928 -15.386 1.00 0.00 H new ATOM 0 HD3 LYS A 152 12.244 3.782 -13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 152 10.556 1.996 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 152 10.201 2.193 -15.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 11.666 0.334 -14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 12.466 1.531 -15.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 12.810 1.340 -14.126 1.00 0.00 H new ATOM 1392 N VAL A 153 11.264 8.655 -12.456 1.00 0.00 N ATOM 1393 CA VAL A 153 11.507 10.083 -12.440 1.00 0.00 C ATOM 1394 C VAL A 153 12.520 10.535 -11.361 1.00 0.00 C ATOM 1395 O VAL A 153 13.543 11.146 -11.698 1.00 0.00 O ATOM 1396 CB VAL A 153 10.189 10.937 -12.426 1.00 0.00 C ATOM 1397 CG1 VAL A 153 9.288 10.593 -11.258 1.00 0.00 C ATOM 1398 CG2 VAL A 153 10.492 12.430 -12.457 1.00 0.00 C ATOM 0 H VAL A 153 10.345 8.374 -12.114 1.00 0.00 H new ATOM 0 HA VAL A 153 11.991 10.289 -13.395 1.00 0.00 H new ATOM 0 HB VAL A 153 9.646 10.681 -13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 153 8.391 11.212 -11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 153 9.006 9.542 -11.313 1.00 0.00 H new ATOM 0 HG13 VAL A 153 9.817 10.778 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 153 9.558 12.991 -12.446 1.00 0.00 H new ATOM 0 HG22 VAL A 153 11.087 12.699 -11.584 1.00 0.00 H new ATOM 0 HG23 VAL A 153 11.049 12.670 -13.363 1.00 0.00 H new ATOM 1408 N THR A 154 12.281 10.236 -10.092 1.00 0.00 N ATOM 1409 CA THR A 154 13.198 10.707 -9.084 1.00 0.00 C ATOM 1410 C THR A 154 14.063 9.573 -8.548 1.00 0.00 C ATOM 1411 O THR A 154 15.193 9.790 -8.107 1.00 0.00 O ATOM 1412 CB THR A 154 12.473 11.458 -7.938 1.00 0.00 C ATOM 1413 OG1 THR A 154 11.637 10.575 -7.198 1.00 0.00 O ATOM 1414 CG2 THR A 154 11.603 12.559 -8.502 1.00 0.00 C ATOM 0 H THR A 154 11.489 9.690 -9.752 1.00 0.00 H new ATOM 0 HA THR A 154 13.857 11.429 -9.566 1.00 0.00 H new ATOM 0 HB THR A 154 13.240 11.874 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 154 11.442 10.967 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 154 11.099 13.079 -7.687 1.00 0.00 H new ATOM 0 HG22 THR A 154 12.223 13.265 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 154 10.859 12.128 -9.172 1.00 0.00 H new ATOM 1422 N GLY A 155 13.530 8.370 -8.602 1.00 0.00 N ATOM 1423 CA GLY A 155 14.272 7.208 -8.159 1.00 0.00 C ATOM 1424 C GLY A 155 13.905 6.808 -6.759 1.00 0.00 C ATOM 1425 O GLY A 155 14.733 6.280 -6.014 1.00 0.00 O ATOM 0 H GLY A 155 12.591 8.172 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.081 6.376 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 155 15.340 7.419 -8.208 1.00 0.00 H new ATOM 1429 N LYS A 156 12.669 7.039 -6.391 1.00 0.00 N ATOM 1430 CA LYS A 156 12.253 6.765 -5.042 1.00 0.00 C ATOM 1431 C LYS A 156 11.637 5.415 -4.849 1.00 0.00 C ATOM 1432 O LYS A 156 10.492 5.172 -5.209 1.00 0.00 O ATOM 1433 CB LYS A 156 11.358 7.849 -4.480 1.00 0.00 C ATOM 1434 CG LYS A 156 12.065 9.164 -4.252 1.00 0.00 C ATOM 1435 CD LYS A 156 13.118 9.065 -3.151 1.00 0.00 C ATOM 1436 CE LYS A 156 13.846 10.385 -2.960 1.00 0.00 C ATOM 1437 NZ LYS A 156 12.917 11.490 -2.679 1.00 0.00 N ATOM 0 H LYS A 156 11.942 7.412 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 156 13.182 6.759 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 156 10.524 8.009 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 156 10.936 7.505 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 156 12.539 9.486 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 156 11.334 9.927 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.642 8.772 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.836 8.284 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 156 14.557 10.292 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 156 14.422 10.615 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 13.456 12.336 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 12.356 11.697 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 12.281 11.219 -1.902 1.00 0.00 H new ATOM 1451 N VAL A 157 12.433 4.552 -4.316 1.00 0.00 N ATOM 1452 CA VAL A 157 12.014 3.283 -3.820 1.00 0.00 C ATOM 1453 C VAL A 157 12.592 3.174 -2.390 1.00 0.00 C ATOM 1454 O VAL A 157 13.675 2.651 -2.163 1.00 0.00 O ATOM 1455 CB VAL A 157 12.420 2.092 -4.767 1.00 0.00 C ATOM 1456 CG1 VAL A 157 13.902 2.096 -5.108 1.00 0.00 C ATOM 1457 CG2 VAL A 157 11.988 0.746 -4.190 1.00 0.00 C ATOM 0 H VAL A 157 13.434 4.717 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 157 10.927 3.208 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 157 11.882 2.244 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 157 14.127 1.254 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 157 14.156 3.027 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 157 14.486 2.009 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 157 12.284 -0.053 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 157 12.466 0.595 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 157 10.905 0.734 -4.066 1.00 0.00 H new ATOM 1467 N PRO A 158 11.923 3.830 -1.432 1.00 0.00 N ATOM 1468 CA PRO A 158 12.402 3.966 -0.063 1.00 0.00 C ATOM 1469 C PRO A 158 12.055 2.768 0.836 1.00 0.00 C ATOM 1470 O PRO A 158 11.194 1.944 0.490 1.00 0.00 O ATOM 1471 CB PRO A 158 11.669 5.240 0.427 1.00 0.00 C ATOM 1472 CG PRO A 158 10.864 5.707 -0.737 1.00 0.00 C ATOM 1473 CD PRO A 158 10.650 4.516 -1.593 1.00 0.00 C ATOM 0 HA PRO A 158 13.490 4.019 -0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 158 11.031 5.021 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 158 12.379 6.004 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 158 9.913 6.128 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 158 11.388 6.491 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 158 9.809 3.910 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 158 10.453 4.784 -2.631 1.00 0.00 H new ATOM 1481 N PRO A 159 12.716 2.682 2.034 1.00 0.00 N ATOM 1482 CA PRO A 159 12.532 1.595 3.030 1.00 0.00 C ATOM 1483 C PRO A 159 11.070 1.262 3.357 1.00 0.00 C ATOM 1484 O PRO A 159 10.769 0.127 3.723 1.00 0.00 O ATOM 1485 CB PRO A 159 13.223 2.152 4.272 1.00 0.00 C ATOM 1486 CG PRO A 159 14.311 2.993 3.728 1.00 0.00 C ATOM 1487 CD PRO A 159 13.751 3.641 2.499 1.00 0.00 C ATOM 0 HA PRO A 159 12.934 0.656 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 159 12.535 2.736 4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 159 13.613 1.354 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 159 14.627 3.741 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 159 15.187 2.391 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 159 13.321 4.617 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 159 14.520 3.797 1.743 1.00 0.00 H new ATOM 1495 N GLY A 160 10.181 2.248 3.221 1.00 0.00 N ATOM 1496 CA GLY A 160 8.765 2.045 3.491 1.00 0.00 C ATOM 1497 C GLY A 160 8.129 1.041 2.539 1.00 0.00 C ATOM 1498 O GLY A 160 7.319 0.214 2.951 1.00 0.00 O ATOM 0 H GLY A 160 10.422 3.194 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.640 1.698 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.243 2.998 3.411 1.00 0.00 H new ATOM 1502 N ASN A 161 8.512 1.105 1.273 1.00 0.00 N ATOM 1503 CA ASN A 161 7.988 0.184 0.261 1.00 0.00 C ATOM 1504 C ASN A 161 8.898 -0.995 0.077 1.00 0.00 C ATOM 1505 O ASN A 161 8.489 -2.039 -0.428 1.00 0.00 O ATOM 1506 CB ASN A 161 7.715 0.878 -1.075 1.00 0.00 C ATOM 1507 CG ASN A 161 6.333 1.523 -1.158 1.00 0.00 C ATOM 1508 OD1 ASN A 161 6.162 2.571 -1.766 1.00 0.00 O ATOM 1509 ND2 ASN A 161 5.325 0.875 -0.613 1.00 0.00 N ATOM 0 H ASN A 161 9.184 1.784 0.916 1.00 0.00 H new ATOM 0 HA ASN A 161 7.030 -0.178 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.474 1.643 -1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.816 0.150 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 161 4.378 1.245 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 161 5.491 0.003 -0.111 1.00 0.00 H new