USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 Single : A 8 MET CE :methyl -161:sc= -0.514 (180deg=-1.22) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.14) USER MOD Single : A 11 THR OG1 : rot 20:sc= 0.0569 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0681 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.14) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 1.13 (180deg=0.707) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= 1.33 (180deg=-0.2!) USER MOD Single : A 48 ASN : amide:sc= 0.00618 X(o=0.0062,f=-0.15) USER MOD Single : A 50 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 6 11.147 15.134 3.885 1.00 0.00 N ATOM 37 CA ILE A 6 10.341 15.001 2.684 1.00 0.00 C ATOM 38 C ILE A 6 10.555 13.635 2.044 1.00 0.00 C ATOM 39 O ILE A 6 11.688 13.173 1.883 1.00 0.00 O ATOM 40 CB ILE A 6 10.639 16.120 1.660 1.00 0.00 C ATOM 41 CG1 ILE A 6 12.141 16.202 1.365 1.00 0.00 C ATOM 42 CG2 ILE A 6 10.118 17.457 2.179 1.00 0.00 C ATOM 43 CD1 ILE A 6 12.500 17.220 0.303 1.00 0.00 C ATOM 0 HA ILE A 6 9.298 15.096 2.984 1.00 0.00 H new ATOM 0 HB ILE A 6 10.126 15.883 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.670 16.449 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.494 15.220 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.333 18.239 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.041 17.392 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.607 17.696 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.579 17.220 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.000 16.963 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.179 18.211 0.625 1.00 0.00 H new ATOM 55 N GLY A 7 9.455 12.987 1.709 1.00 0.00 N ATOM 56 CA GLY A 7 9.515 11.656 1.156 1.00 0.00 C ATOM 57 C GLY A 7 8.825 10.663 2.060 1.00 0.00 C ATOM 58 O GLY A 7 8.274 11.046 3.097 1.00 0.00 O ATOM 0 H GLY A 7 8.513 13.364 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.045 11.645 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.556 11.363 1.015 1.00 0.00 H new ATOM 62 N MET A 8 8.836 9.400 1.673 1.00 0.00 N ATOM 63 CA MET A 8 8.220 8.357 2.478 1.00 0.00 C ATOM 64 C MET A 8 8.753 6.988 2.084 1.00 0.00 C ATOM 65 O MET A 8 8.818 6.650 0.905 1.00 0.00 O ATOM 66 CB MET A 8 6.691 8.381 2.331 1.00 0.00 C ATOM 67 CG MET A 8 6.203 7.991 0.947 1.00 0.00 C ATOM 68 SD MET A 8 4.408 7.990 0.812 1.00 0.00 S ATOM 69 CE MET A 8 4.208 7.150 -0.754 1.00 0.00 C ATOM 0 H MET A 8 9.264 9.071 0.808 1.00 0.00 H new ATOM 0 HA MET A 8 8.474 8.549 3.520 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.254 7.704 3.065 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.328 9.382 2.566 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.617 8.682 0.213 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.582 6.999 0.700 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.214 7.355 -1.152 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.961 7.506 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.326 6.076 -0.609 1.00 0.00 H new ATOM 79 N LYS A 9 9.159 6.210 3.064 1.00 0.00 N ATOM 80 CA LYS A 9 9.521 4.830 2.818 1.00 0.00 C ATOM 81 C LYS A 9 8.603 3.913 3.612 1.00 0.00 C ATOM 82 O LYS A 9 8.526 3.991 4.837 1.00 0.00 O ATOM 83 CB LYS A 9 11.001 4.577 3.134 1.00 0.00 C ATOM 84 CG LYS A 9 11.417 4.855 4.571 1.00 0.00 C ATOM 85 CD LYS A 9 12.927 4.756 4.727 1.00 0.00 C ATOM 86 CE LYS A 9 13.453 3.410 4.256 1.00 0.00 C ATOM 87 NZ LYS A 9 14.930 3.410 4.116 1.00 0.00 N ATOM 0 H LYS A 9 9.247 6.508 4.036 1.00 0.00 H new ATOM 0 HA LYS A 9 9.390 4.611 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.233 3.538 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.607 5.195 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.081 5.849 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.931 4.144 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.405 5.553 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.196 4.906 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.156 2.636 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.998 3.158 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.239 2.510 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.220 4.196 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.367 3.524 5.053 1.00 0.00 H new ATOM 101 N PHE A 10 7.881 3.068 2.901 1.00 0.00 N ATOM 102 CA PHE A 10 6.880 2.211 3.510 1.00 0.00 C ATOM 103 C PHE A 10 7.170 0.756 3.183 1.00 0.00 C ATOM 104 O PHE A 10 7.761 0.453 2.147 1.00 0.00 O ATOM 105 CB PHE A 10 5.480 2.598 3.014 1.00 0.00 C ATOM 106 CG PHE A 10 5.312 2.514 1.517 1.00 0.00 C ATOM 107 CD1 PHE A 10 5.659 3.582 0.704 1.00 0.00 C ATOM 108 CD2 PHE A 10 4.808 1.364 0.924 1.00 0.00 C ATOM 109 CE1 PHE A 10 5.503 3.508 -0.667 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.650 1.286 -0.447 1.00 0.00 C ATOM 111 CZ PHE A 10 5.001 2.359 -1.243 1.00 0.00 C ATOM 0 H PHE A 10 7.970 2.956 1.891 1.00 0.00 H new ATOM 0 HA PHE A 10 6.916 2.341 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.745 1.947 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.260 3.616 3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.056 4.483 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.536 0.521 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.774 4.349 -1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.253 0.387 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.883 2.299 -2.315 1.00 0.00 H new ATOM 121 N THR A 11 6.767 -0.141 4.058 1.00 0.00 N ATOM 122 CA THR A 11 6.993 -1.551 3.821 1.00 0.00 C ATOM 123 C THR A 11 5.673 -2.253 3.516 1.00 0.00 C ATOM 124 O THR A 11 4.659 -2.006 4.166 1.00 0.00 O ATOM 125 CB THR A 11 7.715 -2.224 5.014 1.00 0.00 C ATOM 126 OG1 THR A 11 7.983 -3.601 4.723 1.00 0.00 O ATOM 127 CG2 THR A 11 6.900 -2.123 6.291 1.00 0.00 C ATOM 0 H THR A 11 6.286 0.077 4.931 1.00 0.00 H new ATOM 0 HA THR A 11 7.648 -1.645 2.955 1.00 0.00 H new ATOM 0 HB THR A 11 8.655 -1.694 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.956 -3.742 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.439 -2.606 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.737 -1.074 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.939 -2.616 6.149 1.00 0.00 H new ATOM 135 N VAL A 12 5.685 -3.095 2.496 1.00 0.00 N ATOM 136 CA VAL A 12 4.496 -3.817 2.086 1.00 0.00 C ATOM 137 C VAL A 12 4.655 -5.306 2.394 1.00 0.00 C ATOM 138 O VAL A 12 5.721 -5.887 2.172 1.00 0.00 O ATOM 139 CB VAL A 12 4.203 -3.603 0.579 1.00 0.00 C ATOM 140 CG1 VAL A 12 5.387 -4.030 -0.277 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.939 -4.341 0.161 1.00 0.00 C ATOM 0 H VAL A 12 6.512 -3.295 1.934 1.00 0.00 H new ATOM 0 HA VAL A 12 3.648 -3.427 2.649 1.00 0.00 H new ATOM 0 HB VAL A 12 4.042 -2.537 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.152 -3.868 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.263 -3.441 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.595 -5.087 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.755 -4.175 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.063 -5.408 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.093 -3.969 0.738 1.00 0.00 H new ATOM 151 N ILE A 13 3.609 -5.909 2.940 1.00 0.00 N ATOM 152 CA ILE A 13 3.640 -7.324 3.271 1.00 0.00 C ATOM 153 C ILE A 13 2.640 -8.090 2.406 1.00 0.00 C ATOM 154 O ILE A 13 1.467 -7.718 2.296 1.00 0.00 O ATOM 155 CB ILE A 13 3.385 -7.550 4.792 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.593 -9.023 5.200 1.00 0.00 C ATOM 157 CG2 ILE A 13 2.002 -7.063 5.203 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.416 -9.941 4.927 1.00 0.00 C ATOM 0 H ILE A 13 2.731 -5.441 3.162 1.00 0.00 H new ATOM 0 HA ILE A 13 4.635 -7.712 3.055 1.00 0.00 H new ATOM 0 HB ILE A 13 4.125 -6.955 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.465 -9.410 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.822 -9.060 6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.857 -7.236 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.914 -5.997 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.243 -7.607 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.662 -10.953 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.544 -9.587 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.196 -9.943 3.859 1.00 0.00 H new ATOM 170 N THR A 14 3.133 -9.124 1.740 1.00 0.00 N ATOM 171 CA THR A 14 2.308 -9.978 0.903 1.00 0.00 C ATOM 172 C THR A 14 2.844 -11.414 0.957 1.00 0.00 C ATOM 173 O THR A 14 3.623 -11.751 1.851 1.00 0.00 O ATOM 174 CB THR A 14 2.303 -9.469 -0.556 1.00 0.00 C ATOM 175 OG1 THR A 14 2.641 -8.077 -0.586 1.00 0.00 O ATOM 176 CG2 THR A 14 0.934 -9.655 -1.197 1.00 0.00 C ATOM 0 H THR A 14 4.116 -9.393 1.766 1.00 0.00 H new ATOM 0 HA THR A 14 1.284 -9.957 1.276 1.00 0.00 H new ATOM 0 HB THR A 14 3.038 -10.048 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.638 -7.760 -1.513 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.960 -9.288 -2.223 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.673 -10.713 -1.196 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.188 -9.097 -0.631 1.00 0.00 H new ATOM 184 N ASP A 15 2.432 -12.252 0.006 1.00 0.00 N ATOM 185 CA ASP A 15 2.906 -13.634 -0.072 1.00 0.00 C ATOM 186 C ASP A 15 4.400 -13.683 -0.373 1.00 0.00 C ATOM 187 O ASP A 15 5.077 -14.669 -0.077 1.00 0.00 O ATOM 188 CB ASP A 15 2.135 -14.402 -1.153 1.00 0.00 C ATOM 189 CG ASP A 15 0.668 -14.561 -0.814 1.00 0.00 C ATOM 190 OD1 ASP A 15 0.325 -15.520 -0.089 1.00 0.00 O ATOM 191 OD2 ASP A 15 -0.147 -13.726 -1.256 1.00 0.00 O ATOM 0 H ASP A 15 1.768 -11.996 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 15 2.731 -14.104 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.230 -13.879 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.583 -15.387 -1.285 1.00 0.00 H new ATOM 196 N ASP A 16 4.909 -12.601 -0.945 1.00 0.00 N ATOM 197 CA ASP A 16 6.320 -12.505 -1.309 1.00 0.00 C ATOM 198 C ASP A 16 7.143 -12.017 -0.116 1.00 0.00 C ATOM 199 O ASP A 16 8.333 -11.725 -0.228 1.00 0.00 O ATOM 200 CB ASP A 16 6.478 -11.557 -2.505 1.00 0.00 C ATOM 201 CG ASP A 16 7.861 -11.596 -3.128 1.00 0.00 C ATOM 202 OD1 ASP A 16 8.273 -12.673 -3.612 1.00 0.00 O ATOM 203 OD2 ASP A 16 8.528 -10.544 -3.175 1.00 0.00 O ATOM 0 H ASP A 16 4.362 -11.770 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 16 6.688 -13.491 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.739 -11.815 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.262 -10.538 -2.183 1.00 0.00 H new ATOM 208 N GLY A 17 6.494 -11.939 1.038 1.00 0.00 N ATOM 209 CA GLY A 17 7.165 -11.500 2.244 1.00 0.00 C ATOM 210 C GLY A 17 6.855 -10.056 2.562 1.00 0.00 C ATOM 211 O GLY A 17 5.881 -9.500 2.051 1.00 0.00 O ATOM 0 H GLY A 17 5.509 -12.174 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.861 -12.130 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.242 -11.624 2.127 1.00 0.00 H new ATOM 215 N LYS A 18 7.674 -9.445 3.405 1.00 0.00 N ATOM 216 CA LYS A 18 7.507 -8.043 3.747 1.00 0.00 C ATOM 217 C LYS A 18 8.737 -7.259 3.311 1.00 0.00 C ATOM 218 O LYS A 18 9.817 -7.402 3.889 1.00 0.00 O ATOM 219 CB LYS A 18 7.254 -7.872 5.251 1.00 0.00 C ATOM 220 CG LYS A 18 6.915 -6.442 5.651 1.00 0.00 C ATOM 221 CD LYS A 18 6.454 -6.346 7.099 1.00 0.00 C ATOM 222 CE LYS A 18 7.539 -6.778 8.073 1.00 0.00 C ATOM 223 NZ LYS A 18 7.066 -6.721 9.483 1.00 0.00 N ATOM 0 H LYS A 18 8.462 -9.901 3.865 1.00 0.00 H new ATOM 0 HA LYS A 18 6.636 -7.654 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.437 -8.528 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.139 -8.194 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.790 -5.809 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.133 -6.059 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.158 -5.320 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.571 -6.969 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.857 -7.793 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.411 -6.135 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.832 -7.022 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.786 -5.747 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.249 -7.354 9.601 1.00 0.00 H new ATOM 237 N LYS A 19 8.574 -6.452 2.276 1.00 0.00 N ATOM 238 CA LYS A 19 9.679 -5.692 1.712 1.00 0.00 C ATOM 239 C LYS A 19 9.437 -4.200 1.877 1.00 0.00 C ATOM 240 O LYS A 19 8.292 -3.751 1.921 1.00 0.00 O ATOM 241 CB LYS A 19 9.863 -6.047 0.234 1.00 0.00 C ATOM 242 CG LYS A 19 10.368 -7.465 0.016 1.00 0.00 C ATOM 243 CD LYS A 19 10.408 -7.835 -1.456 1.00 0.00 C ATOM 244 CE LYS A 19 11.036 -9.204 -1.657 1.00 0.00 C ATOM 245 NZ LYS A 19 10.943 -9.665 -3.065 1.00 0.00 N ATOM 0 H LYS A 19 7.681 -6.305 1.806 1.00 0.00 H new ATOM 0 HA LYS A 19 10.592 -5.952 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.912 -5.924 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.565 -5.345 -0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.367 -7.564 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.724 -8.165 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.397 -7.832 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.976 -7.086 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.083 -9.168 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.543 -9.927 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.399 -10.595 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.943 -9.741 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.422 -8.982 -3.686 1.00 0.00 H new ATOM 259 N ILE A 20 10.511 -3.438 1.978 1.00 0.00 N ATOM 260 CA ILE A 20 10.404 -2.010 2.221 1.00 0.00 C ATOM 261 C ILE A 20 10.750 -1.236 0.943 1.00 0.00 C ATOM 262 O ILE A 20 11.743 -1.527 0.271 1.00 0.00 O ATOM 263 CB ILE A 20 11.303 -1.595 3.429 1.00 0.00 C ATOM 264 CG1 ILE A 20 10.778 -0.326 4.123 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.760 -1.417 3.017 1.00 0.00 C ATOM 266 CD1 ILE A 20 10.963 0.956 3.338 1.00 0.00 C ATOM 0 H ILE A 20 11.467 -3.783 1.896 1.00 0.00 H new ATOM 0 HA ILE A 20 9.377 -1.760 2.488 1.00 0.00 H new ATOM 0 HB ILE A 20 11.256 -2.414 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.716 -0.457 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.281 -0.221 5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.351 -1.128 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.141 -2.355 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.831 -0.640 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.562 1.793 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.025 1.119 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.436 0.880 2.387 1.00 0.00 H new ATOM 278 N LEU A 21 9.893 -0.289 0.586 1.00 0.00 N ATOM 279 CA LEU A 21 10.093 0.531 -0.603 1.00 0.00 C ATOM 280 C LEU A 21 10.266 1.990 -0.205 1.00 0.00 C ATOM 281 O LEU A 21 9.524 2.505 0.633 1.00 0.00 O ATOM 282 CB LEU A 21 8.901 0.388 -1.557 1.00 0.00 C ATOM 283 CG LEU A 21 8.638 -1.032 -2.069 1.00 0.00 C ATOM 284 CD1 LEU A 21 7.392 -1.058 -2.942 1.00 0.00 C ATOM 285 CD2 LEU A 21 9.842 -1.553 -2.844 1.00 0.00 C ATOM 0 H LEU A 21 9.045 -0.068 1.108 1.00 0.00 H new ATOM 0 HA LEU A 21 10.993 0.190 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.005 0.745 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.063 1.041 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 21 8.474 -1.683 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.218 -2.073 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.533 -0.726 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.531 -0.393 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.637 -2.563 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.037 -0.901 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.715 -1.569 -2.192 1.00 0.00 H new ATOM 297 N GLU A 22 11.239 2.655 -0.801 1.00 0.00 N ATOM 298 CA GLU A 22 11.526 4.037 -0.455 1.00 0.00 C ATOM 299 C GLU A 22 11.108 4.967 -1.590 1.00 0.00 C ATOM 300 O GLU A 22 11.493 4.772 -2.742 1.00 0.00 O ATOM 301 CB GLU A 22 13.015 4.197 -0.137 1.00 0.00 C ATOM 302 CG GLU A 22 13.369 5.532 0.494 1.00 0.00 C ATOM 303 CD GLU A 22 14.820 5.601 0.918 1.00 0.00 C ATOM 304 OE1 GLU A 22 15.146 5.128 2.029 1.00 0.00 O ATOM 305 OE2 GLU A 22 15.645 6.125 0.146 1.00 0.00 O ATOM 0 H GLU A 22 11.842 2.263 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 22 10.952 4.308 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.321 3.396 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.588 4.078 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.162 6.333 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.731 5.702 1.361 1.00 0.00 H new ATOM 312 N SER A 23 10.301 5.964 -1.262 1.00 0.00 N ATOM 313 CA SER A 23 9.841 6.929 -2.245 1.00 0.00 C ATOM 314 C SER A 23 10.328 8.326 -1.871 1.00 0.00 C ATOM 315 O SER A 23 10.413 8.667 -0.688 1.00 0.00 O ATOM 316 CB SER A 23 8.315 6.904 -2.327 1.00 0.00 C ATOM 317 OG SER A 23 7.838 5.577 -2.478 1.00 0.00 O ATOM 0 H SER A 23 9.950 6.125 -0.318 1.00 0.00 H new ATOM 0 HA SER A 23 10.248 6.665 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.891 7.347 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.982 7.512 -3.168 1.00 0.00 H new ATOM 0 HG SER A 23 6.859 5.585 -2.527 1.00 0.00 H new ATOM 323 N GLY A 24 10.635 9.132 -2.878 1.00 0.00 N ATOM 324 CA GLY A 24 11.172 10.458 -2.638 1.00 0.00 C ATOM 325 C GLY A 24 10.092 11.481 -2.356 1.00 0.00 C ATOM 326 O GLY A 24 10.383 12.612 -1.969 1.00 0.00 O ATOM 0 H GLY A 24 10.521 8.890 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.861 10.420 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.750 10.775 -3.506 1.00 0.00 H new ATOM 330 N ALA A 25 8.842 11.087 -2.549 1.00 0.00 N ATOM 331 CA ALA A 25 7.724 11.984 -2.315 1.00 0.00 C ATOM 332 C ALA A 25 6.580 11.260 -1.616 1.00 0.00 C ATOM 333 O ALA A 25 6.328 10.087 -1.888 1.00 0.00 O ATOM 334 CB ALA A 25 7.246 12.579 -3.633 1.00 0.00 C ATOM 0 H ALA A 25 8.578 10.154 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 25 8.062 12.790 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.408 13.250 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.060 13.136 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.928 11.778 -4.300 1.00 0.00 H new ATOM 340 N PRO A 26 5.896 11.940 -0.682 1.00 0.00 N ATOM 341 CA PRO A 26 4.699 11.406 -0.029 1.00 0.00 C ATOM 342 C PRO A 26 3.509 11.427 -0.981 1.00 0.00 C ATOM 343 O PRO A 26 3.132 12.484 -1.492 1.00 0.00 O ATOM 344 CB PRO A 26 4.463 12.356 1.156 1.00 0.00 C ATOM 345 CG PRO A 26 5.667 13.241 1.216 1.00 0.00 C ATOM 346 CD PRO A 26 6.231 13.274 -0.175 1.00 0.00 C ATOM 0 HA PRO A 26 4.821 10.369 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.555 12.941 1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.341 11.799 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.398 14.243 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.400 12.854 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.780 14.063 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.307 13.450 -0.173 1.00 0.00 H new ATOM 354 N ARG A 27 2.930 10.262 -1.234 1.00 0.00 N ATOM 355 CA ARG A 27 1.868 10.141 -2.224 1.00 0.00 C ATOM 356 C ARG A 27 0.688 9.352 -1.663 1.00 0.00 C ATOM 357 O ARG A 27 0.726 8.870 -0.531 1.00 0.00 O ATOM 358 CB ARG A 27 2.396 9.470 -3.501 1.00 0.00 C ATOM 359 CG ARG A 27 3.588 10.186 -4.121 1.00 0.00 C ATOM 360 CD ARG A 27 3.226 11.583 -4.611 1.00 0.00 C ATOM 361 NE ARG A 27 2.626 11.573 -5.945 1.00 0.00 N ATOM 362 CZ ARG A 27 2.308 12.675 -6.630 1.00 0.00 C ATOM 363 NH1 ARG A 27 2.401 13.869 -6.053 1.00 0.00 N ATOM 364 NH2 ARG A 27 1.884 12.576 -7.885 1.00 0.00 N ATOM 0 H ARG A 27 3.177 9.388 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 27 1.523 11.145 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.680 8.443 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.591 9.421 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.390 10.256 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.970 9.597 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.531 12.042 -3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.122 12.203 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 27 2.439 10.669 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.716 13.945 -5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.158 14.709 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.802 11.659 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.641 13.417 -8.409 1.00 0.00 H new ATOM 378 N ARG A 28 -0.356 9.233 -2.467 1.00 0.00 N ATOM 379 CA ARG A 28 -1.584 8.570 -2.058 1.00 0.00 C ATOM 380 C ARG A 28 -1.562 7.104 -2.501 1.00 0.00 C ATOM 381 O ARG A 28 -0.776 6.733 -3.377 1.00 0.00 O ATOM 382 CB ARG A 28 -2.769 9.328 -2.679 1.00 0.00 C ATOM 383 CG ARG A 28 -4.130 8.699 -2.442 1.00 0.00 C ATOM 384 CD ARG A 28 -5.251 9.577 -2.973 1.00 0.00 C ATOM 385 NE ARG A 28 -5.417 10.794 -2.182 1.00 0.00 N ATOM 386 CZ ARG A 28 -6.244 11.791 -2.499 1.00 0.00 C ATOM 387 NH1 ARG A 28 -6.924 11.760 -3.637 1.00 0.00 N ATOM 388 NH2 ARG A 28 -6.375 12.830 -1.684 1.00 0.00 N ATOM 0 H ARG A 28 -0.376 9.593 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.682 8.579 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.780 10.343 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.606 9.409 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.170 7.723 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.273 8.531 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.042 9.844 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.184 9.014 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.863 10.887 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.816 10.971 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.555 12.525 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.843 12.866 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.008 13.592 -1.927 1.00 0.00 H new ATOM 402 N ILE A 29 -2.403 6.269 -1.883 1.00 0.00 N ATOM 403 CA ILE A 29 -2.527 4.864 -2.276 1.00 0.00 C ATOM 404 C ILE A 29 -2.752 4.757 -3.782 1.00 0.00 C ATOM 405 O ILE A 29 -2.159 3.911 -4.449 1.00 0.00 O ATOM 406 CB ILE A 29 -3.700 4.162 -1.542 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.451 4.105 -0.029 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.923 2.758 -2.096 1.00 0.00 C ATOM 409 CD1 ILE A 29 -2.258 3.260 0.366 1.00 0.00 C ATOM 0 H ILE A 29 -3.008 6.543 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.597 4.368 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.600 4.751 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.305 5.119 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.341 3.711 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.750 2.285 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.160 2.819 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.019 2.165 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.148 3.270 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.409 2.236 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.357 3.666 -0.094 1.00 0.00 H new ATOM 421 N LYS A 30 -3.583 5.658 -4.300 1.00 0.00 N ATOM 422 CA LYS A 30 -3.930 5.702 -5.719 1.00 0.00 C ATOM 423 C LYS A 30 -2.686 5.692 -6.608 1.00 0.00 C ATOM 424 O LYS A 30 -2.685 5.074 -7.669 1.00 0.00 O ATOM 425 CB LYS A 30 -4.745 6.963 -6.004 1.00 0.00 C ATOM 426 CG LYS A 30 -5.552 6.913 -7.290 1.00 0.00 C ATOM 427 CD LYS A 30 -6.731 5.969 -7.148 1.00 0.00 C ATOM 428 CE LYS A 30 -7.755 6.166 -8.251 1.00 0.00 C ATOM 429 NZ LYS A 30 -9.013 5.436 -7.955 1.00 0.00 N ATOM 0 H LYS A 30 -4.037 6.383 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.515 4.811 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.425 7.138 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.068 7.816 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.908 7.912 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.915 6.586 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.374 4.939 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.207 6.126 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.967 7.229 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.344 5.817 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.799 5.872 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.914 4.442 -8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.209 5.481 -6.935 1.00 0.00 H new ATOM 443 N ASP A 31 -1.632 6.374 -6.165 1.00 0.00 N ATOM 444 CA ASP A 31 -0.401 6.476 -6.947 1.00 0.00 C ATOM 445 C ASP A 31 0.258 5.110 -7.102 1.00 0.00 C ATOM 446 O ASP A 31 0.379 4.591 -8.213 1.00 0.00 O ATOM 447 CB ASP A 31 0.588 7.453 -6.295 1.00 0.00 C ATOM 448 CG ASP A 31 0.089 8.885 -6.293 1.00 0.00 C ATOM 449 OD1 ASP A 31 0.258 9.577 -7.322 1.00 0.00 O ATOM 450 OD2 ASP A 31 -0.454 9.330 -5.262 1.00 0.00 O ATOM 0 H ASP A 31 -1.605 6.863 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.670 6.855 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.778 7.139 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.540 7.406 -6.824 1.00 0.00 H new ATOM 455 N VAL A 32 0.659 4.522 -5.982 1.00 0.00 N ATOM 456 CA VAL A 32 1.351 3.235 -5.994 1.00 0.00 C ATOM 457 C VAL A 32 0.446 2.139 -6.552 1.00 0.00 C ATOM 458 O VAL A 32 0.866 1.335 -7.386 1.00 0.00 O ATOM 459 CB VAL A 32 1.820 2.844 -4.576 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.599 1.536 -4.598 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.658 3.957 -3.971 1.00 0.00 C ATOM 0 H VAL A 32 0.518 4.915 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 32 2.225 3.338 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 32 0.937 2.696 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.917 1.285 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.963 0.740 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.475 1.645 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.981 3.667 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.532 4.136 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.063 4.868 -3.910 1.00 0.00 H new ATOM 471 N LEU A 33 -0.803 2.144 -6.103 1.00 0.00 N ATOM 472 CA LEU A 33 -1.788 1.157 -6.524 1.00 0.00 C ATOM 473 C LEU A 33 -2.020 1.254 -8.033 1.00 0.00 C ATOM 474 O LEU A 33 -2.013 0.244 -8.742 1.00 0.00 O ATOM 475 CB LEU A 33 -3.097 1.395 -5.747 1.00 0.00 C ATOM 476 CG LEU A 33 -4.167 0.294 -5.805 1.00 0.00 C ATOM 477 CD1 LEU A 33 -4.869 0.266 -7.152 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.553 -1.062 -5.491 1.00 0.00 C ATOM 0 H LEU A 33 -1.160 2.831 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.424 0.153 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.841 1.561 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.544 2.318 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.918 0.521 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.619 -0.525 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.354 1.226 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.139 0.077 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.325 -1.830 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.774 -1.286 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.119 -1.042 -4.491 1.00 0.00 H new ATOM 490 N GLY A 34 -2.194 2.481 -8.515 1.00 0.00 N ATOM 491 CA GLY A 34 -2.513 2.703 -9.909 1.00 0.00 C ATOM 492 C GLY A 34 -1.358 2.394 -10.841 1.00 0.00 C ATOM 493 O GLY A 34 -1.530 1.689 -11.835 1.00 0.00 O ATOM 0 H GLY A 34 -2.118 3.331 -7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.368 2.085 -10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.814 3.742 -10.045 1.00 0.00 H new ATOM 497 N GLU A 35 -0.174 2.897 -10.505 1.00 0.00 N ATOM 498 CA GLU A 35 0.997 2.744 -11.363 1.00 0.00 C ATOM 499 C GLU A 35 1.443 1.289 -11.465 1.00 0.00 C ATOM 500 O GLU A 35 1.916 0.851 -12.514 1.00 0.00 O ATOM 501 CB GLU A 35 2.147 3.607 -10.847 1.00 0.00 C ATOM 502 CG GLU A 35 1.892 5.097 -10.984 1.00 0.00 C ATOM 503 CD GLU A 35 3.020 5.932 -10.421 1.00 0.00 C ATOM 504 OE1 GLU A 35 4.110 5.379 -10.171 1.00 0.00 O ATOM 505 OE2 GLU A 35 2.820 7.151 -10.225 1.00 0.00 O ATOM 0 H GLU A 35 0.000 3.415 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 35 0.714 3.075 -12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.326 3.372 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.056 3.350 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.753 5.343 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.965 5.352 -10.471 1.00 0.00 H new ATOM 512 N LEU A 36 1.291 0.538 -10.381 1.00 0.00 N ATOM 513 CA LEU A 36 1.669 -0.872 -10.384 1.00 0.00 C ATOM 514 C LEU A 36 0.561 -1.731 -10.984 1.00 0.00 C ATOM 515 O LEU A 36 0.724 -2.941 -11.151 1.00 0.00 O ATOM 516 CB LEU A 36 2.002 -1.351 -8.970 1.00 0.00 C ATOM 517 CG LEU A 36 3.226 -0.694 -8.332 1.00 0.00 C ATOM 518 CD1 LEU A 36 3.465 -1.262 -6.941 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.458 -0.882 -9.210 1.00 0.00 C ATOM 0 H LEU A 36 0.913 0.876 -9.496 1.00 0.00 H new ATOM 0 HA LEU A 36 2.560 -0.976 -11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.138 -1.172 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.161 -2.429 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 36 3.036 0.375 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.340 -0.785 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.593 -1.072 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.634 -2.337 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.318 -0.407 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.656 -1.946 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.283 -0.427 -10.185 1.00 0.00 H new ATOM 531 N GLU A 37 -0.563 -1.088 -11.301 1.00 0.00 N ATOM 532 CA GLU A 37 -1.709 -1.745 -11.933 1.00 0.00 C ATOM 533 C GLU A 37 -2.207 -2.918 -11.081 1.00 0.00 C ATOM 534 O GLU A 37 -2.670 -3.936 -11.600 1.00 0.00 O ATOM 535 CB GLU A 37 -1.339 -2.223 -13.344 1.00 0.00 C ATOM 536 CG GLU A 37 -2.545 -2.561 -14.206 1.00 0.00 C ATOM 537 CD GLU A 37 -2.168 -3.202 -15.523 1.00 0.00 C ATOM 538 OE1 GLU A 37 -2.063 -4.446 -15.576 1.00 0.00 O ATOM 539 OE2 GLU A 37 -1.985 -2.471 -16.519 1.00 0.00 O ATOM 0 H GLU A 37 -0.705 -0.093 -11.126 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.518 -1.018 -12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.754 -1.448 -13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.701 -3.103 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.201 -3.235 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.113 -1.651 -14.400 1.00 0.00 H new ATOM 546 N ILE A 38 -2.124 -2.765 -9.770 1.00 0.00 N ATOM 547 CA ILE A 38 -2.613 -3.790 -8.863 1.00 0.00 C ATOM 548 C ILE A 38 -4.126 -3.672 -8.749 1.00 0.00 C ATOM 549 O ILE A 38 -4.643 -2.592 -8.470 1.00 0.00 O ATOM 550 CB ILE A 38 -1.971 -3.668 -7.464 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.447 -3.770 -7.569 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.511 -4.742 -6.529 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.270 -3.614 -6.245 1.00 0.00 C ATOM 0 H ILE A 38 -1.725 -1.946 -9.312 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.339 -4.765 -9.267 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.229 -2.693 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.186 -4.736 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.088 -3.005 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.046 -4.638 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.591 -4.630 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.283 -5.727 -6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.345 -3.698 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.041 -2.637 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.059 -4.394 -5.559 1.00 0.00 H new ATOM 565 N PRO A 39 -4.856 -4.766 -9.006 1.00 0.00 N ATOM 566 CA PRO A 39 -6.321 -4.759 -8.995 1.00 0.00 C ATOM 567 C PRO A 39 -6.903 -4.372 -7.636 1.00 0.00 C ATOM 568 O PRO A 39 -6.961 -5.189 -6.715 1.00 0.00 O ATOM 569 CB PRO A 39 -6.699 -6.199 -9.357 1.00 0.00 C ATOM 570 CG PRO A 39 -5.481 -6.775 -9.995 1.00 0.00 C ATOM 571 CD PRO A 39 -4.315 -6.093 -9.342 1.00 0.00 C ATOM 0 HA PRO A 39 -6.720 -4.018 -9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.985 -6.766 -8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.549 -6.223 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.436 -7.854 -9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.484 -6.600 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.979 -6.629 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.460 -6.022 -10.014 1.00 0.00 H new ATOM 579 N ILE A 40 -7.338 -3.119 -7.526 1.00 0.00 N ATOM 580 CA ILE A 40 -7.920 -2.600 -6.292 1.00 0.00 C ATOM 581 C ILE A 40 -9.298 -3.217 -6.070 1.00 0.00 C ATOM 582 O ILE A 40 -9.832 -3.225 -4.960 1.00 0.00 O ATOM 583 CB ILE A 40 -8.024 -1.051 -6.336 1.00 0.00 C ATOM 584 CG1 ILE A 40 -8.401 -0.473 -4.967 1.00 0.00 C ATOM 585 CG2 ILE A 40 -9.032 -0.605 -7.389 1.00 0.00 C ATOM 586 CD1 ILE A 40 -7.415 -0.810 -3.867 1.00 0.00 C ATOM 0 H ILE A 40 -7.297 -2.439 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.268 -2.871 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.040 -0.667 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.481 0.611 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.386 -0.845 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.088 0.484 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.717 -0.963 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.013 -1.016 -7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.750 -0.366 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.352 -1.892 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.433 -0.414 -4.125 1.00 0.00 H new ATOM 598 N GLU A 41 -9.860 -3.744 -7.148 1.00 0.00 N ATOM 599 CA GLU A 41 -11.138 -4.431 -7.100 1.00 0.00 C ATOM 600 C GLU A 41 -10.966 -5.833 -6.519 1.00 0.00 C ATOM 601 O GLU A 41 -11.852 -6.358 -5.841 1.00 0.00 O ATOM 602 CB GLU A 41 -11.716 -4.527 -8.513 1.00 0.00 C ATOM 603 CG GLU A 41 -13.076 -5.201 -8.586 1.00 0.00 C ATOM 604 CD GLU A 41 -13.392 -5.696 -9.981 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.734 -4.869 -10.849 1.00 0.00 O ATOM 606 OE2 GLU A 41 -13.282 -6.919 -10.218 1.00 0.00 O ATOM 0 H GLU A 41 -9.442 -3.706 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.819 -3.869 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.798 -3.523 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.016 -5.077 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.103 -6.039 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.846 -4.498 -8.268 1.00 0.00 H new ATOM 613 N THR A 42 -9.807 -6.428 -6.775 1.00 0.00 N ATOM 614 CA THR A 42 -9.575 -7.824 -6.443 1.00 0.00 C ATOM 615 C THR A 42 -8.950 -7.992 -5.058 1.00 0.00 C ATOM 616 O THR A 42 -9.303 -8.914 -4.324 1.00 0.00 O ATOM 617 CB THR A 42 -8.667 -8.484 -7.499 1.00 0.00 C ATOM 618 OG1 THR A 42 -9.179 -8.211 -8.810 1.00 0.00 O ATOM 619 CG2 THR A 42 -8.585 -9.990 -7.288 1.00 0.00 C ATOM 0 H THR A 42 -9.012 -5.962 -7.213 1.00 0.00 H new ATOM 0 HA THR A 42 -10.548 -8.314 -6.434 1.00 0.00 H new ATOM 0 HB THR A 42 -7.665 -8.068 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.600 -8.630 -9.481 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.938 -10.429 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.176 -10.197 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.582 -10.423 -7.367 1.00 0.00 H new ATOM 627 N VAL A 43 -8.023 -7.114 -4.697 1.00 0.00 N ATOM 628 CA VAL A 43 -7.313 -7.261 -3.433 1.00 0.00 C ATOM 629 C VAL A 43 -7.668 -6.141 -2.460 1.00 0.00 C ATOM 630 O VAL A 43 -8.209 -5.106 -2.854 1.00 0.00 O ATOM 631 CB VAL A 43 -5.781 -7.316 -3.632 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.410 -8.369 -4.666 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.226 -5.962 -4.027 1.00 0.00 C ATOM 0 H VAL A 43 -7.748 -6.304 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.635 -8.211 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.333 -7.595 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.327 -8.391 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.757 -9.346 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.880 -8.125 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.147 -6.036 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.685 -5.639 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.447 -5.236 -3.245 1.00 0.00 H new ATOM 643 N VAL A 44 -7.360 -6.362 -1.191 1.00 0.00 N ATOM 644 CA VAL A 44 -7.676 -5.411 -0.136 1.00 0.00 C ATOM 645 C VAL A 44 -6.406 -4.754 0.402 1.00 0.00 C ATOM 646 O VAL A 44 -5.382 -5.410 0.563 1.00 0.00 O ATOM 647 CB VAL A 44 -8.419 -6.118 1.021 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.826 -5.128 2.100 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.637 -6.868 0.497 1.00 0.00 C ATOM 0 H VAL A 44 -6.885 -7.203 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.319 -4.640 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.733 -6.838 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.346 -5.655 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.937 -4.643 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.487 -4.375 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.147 -7.359 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.318 -6.165 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.319 -7.617 -0.228 1.00 0.00 H new ATOM 659 N VAL A 45 -6.474 -3.457 0.682 1.00 0.00 N ATOM 660 CA VAL A 45 -5.315 -2.724 1.173 1.00 0.00 C ATOM 661 C VAL A 45 -5.516 -2.261 2.617 1.00 0.00 C ATOM 662 O VAL A 45 -6.554 -1.703 2.967 1.00 0.00 O ATOM 663 CB VAL A 45 -5.011 -1.496 0.285 1.00 0.00 C ATOM 664 CG1 VAL A 45 -3.760 -0.770 0.765 1.00 0.00 C ATOM 665 CG2 VAL A 45 -4.862 -1.904 -1.173 1.00 0.00 C ATOM 0 H VAL A 45 -7.318 -2.894 0.577 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.470 -3.411 1.136 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.855 -0.811 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.569 0.090 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.907 -0.431 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.908 -1.449 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.648 -1.022 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.043 -2.617 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.787 -2.365 -1.518 1.00 0.00 H new ATOM 675 N LYS A 46 -4.525 -2.533 3.451 1.00 0.00 N ATOM 676 CA LYS A 46 -4.488 -2.023 4.816 1.00 0.00 C ATOM 677 C LYS A 46 -3.206 -1.233 5.035 1.00 0.00 C ATOM 678 O LYS A 46 -2.189 -1.511 4.405 1.00 0.00 O ATOM 679 CB LYS A 46 -4.533 -3.160 5.841 1.00 0.00 C ATOM 680 CG LYS A 46 -5.886 -3.828 6.005 1.00 0.00 C ATOM 681 CD LYS A 46 -5.793 -4.946 7.027 1.00 0.00 C ATOM 682 CE LYS A 46 -7.123 -5.644 7.254 1.00 0.00 C ATOM 683 NZ LYS A 46 -6.982 -6.786 8.202 1.00 0.00 N ATOM 0 H LYS A 46 -3.723 -3.113 3.203 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.362 -1.387 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.804 -3.917 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.219 -2.768 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.627 -3.094 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.222 -4.226 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.056 -5.677 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.434 -4.540 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.848 -4.931 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.514 -6.005 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.907 -7.242 8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.308 -7.477 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.632 -6.437 9.117 1.00 0.00 H new ATOM 697 N LYS A 47 -3.252 -0.253 5.921 1.00 0.00 N ATOM 698 CA LYS A 47 -2.046 0.440 6.334 1.00 0.00 C ATOM 699 C LYS A 47 -1.915 0.434 7.854 1.00 0.00 C ATOM 700 O LYS A 47 -2.683 1.076 8.571 1.00 0.00 O ATOM 701 CB LYS A 47 -1.984 1.871 5.777 1.00 0.00 C ATOM 702 CG LYS A 47 -3.147 2.770 6.162 1.00 0.00 C ATOM 703 CD LYS A 47 -2.915 4.191 5.671 1.00 0.00 C ATOM 704 CE LYS A 47 -4.124 5.077 5.921 1.00 0.00 C ATOM 705 NZ LYS A 47 -3.900 6.472 5.460 1.00 0.00 N ATOM 0 H LYS A 47 -4.108 0.079 6.366 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.198 -0.101 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.059 2.336 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.932 1.818 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.071 2.379 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.270 2.770 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.045 4.612 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.690 4.175 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.990 4.661 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.356 5.081 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.767 6.833 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.655 7.071 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.122 6.489 4.771 1.00 0.00 H new ATOM 719 N ASN A 48 -0.961 -0.363 8.321 1.00 0.00 N ATOM 720 CA ASN A 48 -0.581 -0.436 9.731 1.00 0.00 C ATOM 721 C ASN A 48 -1.721 -0.964 10.598 1.00 0.00 C ATOM 722 O ASN A 48 -1.761 -0.726 11.806 1.00 0.00 O ATOM 723 CB ASN A 48 -0.114 0.936 10.215 1.00 0.00 C ATOM 724 CG ASN A 48 1.108 0.855 11.109 1.00 0.00 C ATOM 725 OD1 ASN A 48 1.266 -0.084 11.892 1.00 0.00 O ATOM 726 ND2 ASN A 48 2.001 1.822 10.966 1.00 0.00 N ATOM 0 H ASN A 48 -0.420 -0.987 7.723 1.00 0.00 H new ATOM 0 HA ASN A 48 0.243 -1.143 9.825 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.112 1.563 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.925 1.421 10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.860 1.808 11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.830 2.581 10.306 1.00 0.00 H new ATOM 733 N GLY A 49 -2.631 -1.708 9.979 1.00 0.00 N ATOM 734 CA GLY A 49 -3.728 -2.305 10.714 1.00 0.00 C ATOM 735 C GLY A 49 -5.072 -1.717 10.342 1.00 0.00 C ATOM 736 O GLY A 49 -6.111 -2.190 10.795 1.00 0.00 O ATOM 0 H GLY A 49 -2.627 -1.908 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.742 -3.379 10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.560 -2.169 11.782 1.00 0.00 H new ATOM 740 N GLN A 50 -5.057 -0.679 9.521 1.00 0.00 N ATOM 741 CA GLN A 50 -6.288 -0.027 9.100 1.00 0.00 C ATOM 742 C GLN A 50 -6.565 -0.260 7.625 1.00 0.00 C ATOM 743 O GLN A 50 -5.804 0.181 6.766 1.00 0.00 O ATOM 744 CB GLN A 50 -6.219 1.471 9.393 1.00 0.00 C ATOM 745 CG GLN A 50 -6.983 1.872 10.643 1.00 0.00 C ATOM 746 CD GLN A 50 -8.471 1.608 10.519 1.00 0.00 C ATOM 747 OE1 GLN A 50 -9.044 1.707 9.435 1.00 0.00 O ATOM 748 NE2 GLN A 50 -9.104 1.257 11.625 1.00 0.00 N ATOM 0 H GLN A 50 -4.207 -0.270 9.133 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.109 -0.466 9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.175 1.765 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.617 2.020 8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.589 1.323 11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.820 2.931 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.593 1.186 12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.104 1.057 11.599 1.00 0.00 H new ATOM 757 N ILE A 51 -7.645 -0.977 7.345 1.00 0.00 N ATOM 758 CA ILE A 51 -8.085 -1.199 5.977 1.00 0.00 C ATOM 759 C ILE A 51 -8.454 0.145 5.341 1.00 0.00 C ATOM 760 O ILE A 51 -9.222 0.931 5.904 1.00 0.00 O ATOM 761 CB ILE A 51 -9.273 -2.211 5.937 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.435 -2.850 4.550 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.576 -1.561 6.380 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.955 -1.921 3.472 1.00 0.00 C ATOM 0 H ILE A 51 -8.234 -1.416 8.052 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.275 -1.641 5.398 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.031 -3.005 6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.469 -3.244 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.114 -3.699 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.381 -2.295 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.471 -1.194 7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.811 -0.728 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.035 -2.465 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.937 -1.545 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.268 -1.084 3.351 1.00 0.00 H new ATOM 776 N VAL A 52 -7.875 0.426 4.185 1.00 0.00 N ATOM 777 CA VAL A 52 -8.053 1.720 3.548 1.00 0.00 C ATOM 778 C VAL A 52 -8.248 1.582 2.048 1.00 0.00 C ATOM 779 O VAL A 52 -7.842 0.590 1.443 1.00 0.00 O ATOM 780 CB VAL A 52 -6.857 2.658 3.820 1.00 0.00 C ATOM 781 CG1 VAL A 52 -6.793 3.026 5.294 1.00 0.00 C ATOM 782 CG2 VAL A 52 -5.553 2.014 3.369 1.00 0.00 C ATOM 0 H VAL A 52 -7.279 -0.223 3.670 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.951 2.157 3.984 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.001 3.572 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.944 3.687 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.713 3.534 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.675 2.121 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.724 2.692 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.400 1.082 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.601 1.806 2.300 1.00 0.00 H new ATOM 792 N ILE A 53 -8.890 2.575 1.459 1.00 0.00 N ATOM 793 CA ILE A 53 -9.102 2.604 0.022 1.00 0.00 C ATOM 794 C ILE A 53 -8.041 3.457 -0.668 1.00 0.00 C ATOM 795 O ILE A 53 -7.120 3.968 -0.025 1.00 0.00 O ATOM 796 CB ILE A 53 -10.509 3.136 -0.337 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.735 4.522 0.272 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.573 2.158 0.138 1.00 0.00 C ATOM 799 CD1 ILE A 53 -12.072 5.131 -0.088 1.00 0.00 C ATOM 0 H ILE A 53 -9.276 3.377 1.957 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.022 1.576 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.581 3.230 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.658 4.450 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.940 5.190 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.560 2.541 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.421 1.193 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.501 2.038 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.162 6.112 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.144 5.236 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.874 4.485 0.268 1.00 0.00 H new ATOM 811 N ASP A 54 -8.195 3.626 -1.974 1.00 0.00 N ATOM 812 CA ASP A 54 -7.224 4.339 -2.801 1.00 0.00 C ATOM 813 C ASP A 54 -7.207 5.837 -2.504 1.00 0.00 C ATOM 814 O ASP A 54 -6.336 6.560 -2.983 1.00 0.00 O ATOM 815 CB ASP A 54 -7.546 4.113 -4.280 1.00 0.00 C ATOM 816 CG ASP A 54 -8.945 4.575 -4.643 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.900 3.807 -4.415 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.094 5.702 -5.156 1.00 0.00 O ATOM 0 H ASP A 54 -8.998 3.272 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.236 3.944 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.819 4.646 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.444 3.053 -4.514 1.00 0.00 H new ATOM 823 N GLU A 55 -8.164 6.289 -1.710 1.00 0.00 N ATOM 824 CA GLU A 55 -8.302 7.703 -1.379 1.00 0.00 C ATOM 825 C GLU A 55 -7.349 8.100 -0.246 1.00 0.00 C ATOM 826 O GLU A 55 -7.152 9.282 0.032 1.00 0.00 O ATOM 827 CB GLU A 55 -9.755 7.975 -0.975 1.00 0.00 C ATOM 828 CG GLU A 55 -10.092 9.440 -0.749 1.00 0.00 C ATOM 829 CD GLU A 55 -10.022 10.268 -2.016 1.00 0.00 C ATOM 830 OE1 GLU A 55 -10.476 9.784 -3.076 1.00 0.00 O ATOM 831 OE2 GLU A 55 -9.530 11.415 -1.954 1.00 0.00 O ATOM 0 H GLU A 55 -8.867 5.690 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.041 8.302 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.412 7.581 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.973 7.422 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.094 9.515 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.405 9.855 -0.012 1.00 0.00 H new ATOM 838 N GLU A 56 -6.748 7.106 0.391 1.00 0.00 N ATOM 839 CA GLU A 56 -5.904 7.342 1.558 1.00 0.00 C ATOM 840 C GLU A 56 -4.464 7.670 1.176 1.00 0.00 C ATOM 841 O GLU A 56 -3.938 7.159 0.190 1.00 0.00 O ATOM 842 CB GLU A 56 -5.922 6.117 2.468 1.00 0.00 C ATOM 843 CG GLU A 56 -7.204 5.973 3.266 1.00 0.00 C ATOM 844 CD GLU A 56 -7.384 7.098 4.259 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.408 7.432 4.964 1.00 0.00 O ATOM 846 OE2 GLU A 56 -8.499 7.647 4.348 1.00 0.00 O ATOM 0 H GLU A 56 -6.828 6.126 0.121 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.312 8.207 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.778 5.222 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.079 6.174 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.054 5.952 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.196 5.020 3.795 1.00 0.00 H new ATOM 853 N GLU A 57 -3.834 8.528 1.968 1.00 0.00 N ATOM 854 CA GLU A 57 -2.416 8.829 1.798 1.00 0.00 C ATOM 855 C GLU A 57 -1.558 7.745 2.437 1.00 0.00 C ATOM 856 O GLU A 57 -2.030 6.983 3.290 1.00 0.00 O ATOM 857 CB GLU A 57 -2.057 10.177 2.426 1.00 0.00 C ATOM 858 CG GLU A 57 -2.206 11.367 1.492 1.00 0.00 C ATOM 859 CD GLU A 57 -3.628 11.593 1.033 1.00 0.00 C ATOM 860 OE1 GLU A 57 -4.457 12.039 1.848 1.00 0.00 O ATOM 861 OE2 GLU A 57 -3.915 11.363 -0.153 1.00 0.00 O ATOM 0 H GLU A 57 -4.282 9.029 2.735 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.220 8.871 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.688 10.336 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.027 10.136 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.848 12.264 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.570 11.217 0.620 1.00 0.00 H new ATOM 868 N ILE A 58 -0.300 7.688 2.023 1.00 0.00 N ATOM 869 CA ILE A 58 0.669 6.769 2.599 1.00 0.00 C ATOM 870 C ILE A 58 1.628 7.547 3.493 1.00 0.00 C ATOM 871 O ILE A 58 1.914 8.714 3.229 1.00 0.00 O ATOM 872 CB ILE A 58 1.470 6.036 1.499 1.00 0.00 C ATOM 873 CG1 ILE A 58 0.515 5.430 0.469 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.352 4.953 2.109 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.216 4.740 -0.679 1.00 0.00 C ATOM 0 H ILE A 58 0.076 8.277 1.280 1.00 0.00 H new ATOM 0 HA ILE A 58 0.131 6.022 3.182 1.00 0.00 H new ATOM 0 HB ILE A 58 2.114 6.759 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.137 4.713 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.124 6.218 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.908 4.448 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.051 5.406 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.729 4.229 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.474 4.336 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.846 5.457 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.834 3.929 -0.293 1.00 0.00 H new ATOM 887 N PHE A 59 2.104 6.917 4.556 1.00 0.00 N ATOM 888 CA PHE A 59 2.993 7.588 5.490 1.00 0.00 C ATOM 889 C PHE A 59 4.401 7.012 5.426 1.00 0.00 C ATOM 890 O PHE A 59 4.600 5.848 5.079 1.00 0.00 O ATOM 891 CB PHE A 59 2.460 7.474 6.921 1.00 0.00 C ATOM 892 CG PHE A 59 1.131 8.143 7.128 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.062 9.491 7.438 1.00 0.00 C ATOM 894 CD2 PHE A 59 -0.045 7.422 7.014 1.00 0.00 C ATOM 895 CE1 PHE A 59 -0.159 10.107 7.633 1.00 0.00 C ATOM 896 CE2 PHE A 59 -1.267 8.033 7.208 1.00 0.00 C ATOM 897 CZ PHE A 59 -1.324 9.378 7.516 1.00 0.00 C ATOM 0 H PHE A 59 1.891 5.948 4.792 1.00 0.00 H new ATOM 0 HA PHE A 59 3.033 8.639 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.370 6.420 7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.187 7.911 7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.972 10.066 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.006 6.370 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.201 11.158 7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.178 7.460 7.119 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.280 9.858 7.665 1.00 0.00 H new ATOM 907 N ASP A 60 5.374 7.848 5.747 1.00 0.00 N ATOM 908 CA ASP A 60 6.752 7.403 5.883 1.00 0.00 C ATOM 909 C ASP A 60 6.895 6.524 7.119 1.00 0.00 C ATOM 910 O ASP A 60 6.597 6.956 8.235 1.00 0.00 O ATOM 911 CB ASP A 60 7.693 8.606 5.982 1.00 0.00 C ATOM 912 CG ASP A 60 9.134 8.200 6.214 1.00 0.00 C ATOM 913 OD1 ASP A 60 9.733 7.578 5.316 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.681 8.513 7.296 1.00 0.00 O ATOM 0 H ASP A 60 5.235 8.844 5.919 1.00 0.00 H new ATOM 0 HA ASP A 60 7.021 6.822 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.627 9.191 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.366 9.253 6.796 1.00 0.00 H new ATOM 919 N GLY A 61 7.332 5.292 6.914 1.00 0.00 N ATOM 920 CA GLY A 61 7.447 4.355 8.010 1.00 0.00 C ATOM 921 C GLY A 61 6.151 3.607 8.256 1.00 0.00 C ATOM 922 O GLY A 61 5.942 3.051 9.335 1.00 0.00 O ATOM 0 H GLY A 61 7.610 4.923 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.242 3.641 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.735 4.890 8.915 1.00 0.00 H new ATOM 926 N ASP A 62 5.278 3.598 7.254 1.00 0.00 N ATOM 927 CA ASP A 62 3.992 2.924 7.369 1.00 0.00 C ATOM 928 C ASP A 62 4.078 1.508 6.798 1.00 0.00 C ATOM 929 O ASP A 62 4.982 1.192 6.016 1.00 0.00 O ATOM 930 CB ASP A 62 2.906 3.727 6.648 1.00 0.00 C ATOM 931 CG ASP A 62 1.509 3.408 7.143 1.00 0.00 C ATOM 932 OD1 ASP A 62 1.365 2.515 8.003 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.551 4.067 6.691 1.00 0.00 O ATOM 0 H ASP A 62 5.439 4.050 6.354 1.00 0.00 H new ATOM 0 HA ASP A 62 3.729 2.854 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.099 4.791 6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.962 3.525 5.578 1.00 0.00 H new ATOM 938 N ILE A 63 3.144 0.659 7.196 1.00 0.00 N ATOM 939 CA ILE A 63 3.152 -0.744 6.806 1.00 0.00 C ATOM 940 C ILE A 63 1.915 -1.067 5.977 1.00 0.00 C ATOM 941 O ILE A 63 0.804 -1.118 6.493 1.00 0.00 O ATOM 942 CB ILE A 63 3.208 -1.694 8.038 1.00 0.00 C ATOM 943 CG1 ILE A 63 4.575 -1.635 8.735 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.910 -3.130 7.629 1.00 0.00 C ATOM 945 CD1 ILE A 63 4.866 -0.335 9.453 1.00 0.00 C ATOM 0 H ILE A 63 2.362 0.920 7.796 1.00 0.00 H new ATOM 0 HA ILE A 63 4.052 -0.907 6.213 1.00 0.00 H new ATOM 0 HB ILE A 63 2.446 -1.353 8.739 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.636 -2.452 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.354 -1.805 7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.955 -3.775 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.914 -3.184 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.648 -3.461 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.852 -0.387 9.914 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.842 0.488 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.113 -0.169 10.224 1.00 0.00 H new ATOM 957 N ILE A 64 2.109 -1.285 4.692 1.00 0.00 N ATOM 958 CA ILE A 64 1.001 -1.571 3.802 1.00 0.00 C ATOM 959 C ILE A 64 0.795 -3.077 3.686 1.00 0.00 C ATOM 960 O ILE A 64 1.687 -3.811 3.263 1.00 0.00 O ATOM 961 CB ILE A 64 1.205 -0.949 2.393 1.00 0.00 C ATOM 962 CG1 ILE A 64 0.990 0.573 2.424 1.00 0.00 C ATOM 963 CG2 ILE A 64 0.262 -1.582 1.376 1.00 0.00 C ATOM 964 CD1 ILE A 64 2.019 1.344 3.227 1.00 0.00 C ATOM 0 H ILE A 64 3.023 -1.270 4.240 1.00 0.00 H new ATOM 0 HA ILE A 64 0.111 -1.114 4.234 1.00 0.00 H new ATOM 0 HB ILE A 64 2.233 -1.151 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.994 0.947 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.001 0.778 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.425 -1.129 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.456 -2.653 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.770 -1.417 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.786 2.408 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.002 1.003 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.010 1.176 2.806 1.00 0.00 H new ATOM 976 N GLU A 65 -0.378 -3.531 4.085 1.00 0.00 N ATOM 977 CA GLU A 65 -0.724 -4.938 4.002 1.00 0.00 C ATOM 978 C GLU A 65 -1.692 -5.159 2.852 1.00 0.00 C ATOM 979 O GLU A 65 -2.805 -4.632 2.860 1.00 0.00 O ATOM 980 CB GLU A 65 -1.340 -5.417 5.322 1.00 0.00 C ATOM 981 CG GLU A 65 -1.701 -6.898 5.327 1.00 0.00 C ATOM 982 CD GLU A 65 -2.253 -7.371 6.657 1.00 0.00 C ATOM 983 OE1 GLU A 65 -3.442 -7.122 6.935 1.00 0.00 O ATOM 984 OE2 GLU A 65 -1.499 -8.005 7.427 1.00 0.00 O ATOM 0 H GLU A 65 -1.113 -2.940 4.473 1.00 0.00 H new ATOM 0 HA GLU A 65 0.181 -5.517 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.639 -5.220 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.237 -4.833 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.437 -7.089 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.815 -7.483 5.080 1.00 0.00 H new ATOM 991 N VAL A 66 -1.264 -5.910 1.853 1.00 0.00 N ATOM 992 CA VAL A 66 -2.110 -6.187 0.706 1.00 0.00 C ATOM 993 C VAL A 66 -2.718 -7.574 0.828 1.00 0.00 C ATOM 994 O VAL A 66 -2.055 -8.587 0.599 1.00 0.00 O ATOM 995 CB VAL A 66 -1.342 -6.054 -0.626 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.193 -6.527 -1.802 1.00 0.00 C ATOM 997 CG2 VAL A 66 -0.914 -4.609 -0.835 1.00 0.00 C ATOM 0 H VAL A 66 -0.339 -6.338 1.813 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.906 -5.443 0.698 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.457 -6.688 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.626 -6.422 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.462 -7.573 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.099 -5.924 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.372 -4.523 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.796 -3.969 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.267 -4.299 -0.015 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.980 -7.606 1.211 1.00 0.00 N ATOM 1008 CA ILE A 67 -4.691 -8.853 1.393 1.00 0.00 C ATOM 1009 C ILE A 67 -5.428 -9.225 0.121 1.00 0.00 C ATOM 1010 O ILE A 67 -6.540 -8.759 -0.124 1.00 0.00 O ATOM 1011 CB ILE A 67 -5.713 -8.771 2.545 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -5.047 -8.245 3.817 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -6.338 -10.140 2.802 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -6.020 -8.013 4.949 1.00 0.00 C ATOM 0 H ILE A 67 -4.537 -6.773 1.403 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.947 -9.611 1.639 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.502 -8.077 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.286 -8.955 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.534 -7.310 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.057 -10.064 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.847 -10.483 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.557 -10.852 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.482 -7.640 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.767 -7.280 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.515 -8.951 5.202 1.00 0.00 H new ATOM 1026 N ARG A 68 -4.785 -10.016 -0.713 1.00 0.00 N ATOM 1027 CA ARG A 68 -5.463 -10.594 -1.854 1.00 0.00 C ATOM 1028 C ARG A 68 -6.459 -11.633 -1.354 1.00 0.00 C ATOM 1029 O ARG A 68 -6.263 -12.221 -0.286 1.00 0.00 O ATOM 1030 CB ARG A 68 -4.448 -11.192 -2.850 1.00 0.00 C ATOM 1031 CG ARG A 68 -3.312 -11.992 -2.215 1.00 0.00 C ATOM 1032 CD ARG A 68 -3.812 -13.284 -1.607 1.00 0.00 C ATOM 1033 NE ARG A 68 -2.795 -13.960 -0.813 1.00 0.00 N ATOM 1034 CZ ARG A 68 -3.047 -14.563 0.345 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -4.261 -14.493 0.885 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -2.082 -15.218 0.976 1.00 0.00 N ATOM 0 H ARG A 68 -3.802 -10.272 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.008 -9.821 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.983 -11.839 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.017 -10.381 -3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.556 -12.213 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.829 -11.390 -1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.678 -13.074 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.148 -13.949 -2.402 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.838 -13.971 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.001 -13.976 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.452 -14.957 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.146 -15.259 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.276 -15.680 1.864 1.00 0.00 H new