USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 1 GLY N :NH3+ -115:sc= 0.0766 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 12 CYS SG : rot -60:sc= -6.27! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -156:sc= -1.85 (180deg=-2.22) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.043) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -21:sc= 0.133 USER MOD Single : A 34 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.86) USER MOD Single : A 35 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.8) USER MOD Single : A 36 SER OG : rot 160:sc= -0.547 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.39) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 57:sc= 0.873 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.749 1.706 -19.582 1.00 0.00 N ATOM 2 CA GLY A 1 -24.537 2.544 -18.414 1.00 0.00 C ATOM 3 C GLY A 1 -23.068 2.957 -18.297 1.00 0.00 C ATOM 4 O GLY A 1 -22.189 2.306 -18.859 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.367 2.201 -20.257 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.835 1.503 -20.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.198 0.814 -19.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.165 3.433 -18.481 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.840 2.006 -17.516 1.00 0.00 H new ATOM 8 N SER A 2 -22.848 4.038 -17.562 1.00 0.00 N ATOM 9 CA SER A 2 -21.502 4.547 -17.364 1.00 0.00 C ATOM 10 C SER A 2 -20.945 4.046 -16.030 1.00 0.00 C ATOM 11 O SER A 2 -21.701 3.793 -15.093 1.00 0.00 O ATOM 12 CB SER A 2 -21.478 6.076 -17.409 1.00 0.00 C ATOM 13 OG SER A 2 -20.193 6.600 -17.086 1.00 0.00 O ATOM 0 H SER A 2 -23.580 4.575 -17.097 1.00 0.00 H new ATOM 0 HA SER A 2 -20.874 4.178 -18.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.767 6.414 -18.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.216 6.471 -16.711 1.00 0.00 H new ATOM 0 HG SER A 2 -20.219 7.579 -17.128 1.00 0.00 H new ATOM 19 N SER A 3 -19.627 3.919 -15.986 1.00 0.00 N ATOM 20 CA SER A 3 -18.960 3.453 -14.782 1.00 0.00 C ATOM 21 C SER A 3 -17.875 4.449 -14.366 1.00 0.00 C ATOM 22 O SER A 3 -17.250 5.082 -15.216 1.00 0.00 O ATOM 23 CB SER A 3 -18.353 2.064 -14.990 1.00 0.00 C ATOM 24 OG SER A 3 -19.096 1.051 -14.317 1.00 0.00 O ATOM 0 H SER A 3 -19.003 4.131 -16.765 1.00 0.00 H new ATOM 0 HA SER A 3 -19.702 3.380 -13.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.317 1.840 -16.056 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.325 2.060 -14.629 1.00 0.00 H new ATOM 0 HG SER A 3 -18.678 0.179 -14.475 1.00 0.00 H new ATOM 30 N GLY A 4 -17.684 4.556 -13.059 1.00 0.00 N ATOM 31 CA GLY A 4 -16.686 5.464 -12.521 1.00 0.00 C ATOM 32 C GLY A 4 -15.601 4.698 -11.761 1.00 0.00 C ATOM 33 O GLY A 4 -15.208 3.606 -12.167 1.00 0.00 O ATOM 0 H GLY A 4 -18.204 4.029 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.233 6.034 -13.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.164 6.182 -11.855 1.00 0.00 H new ATOM 37 N SER A 5 -15.149 5.301 -10.671 1.00 0.00 N ATOM 38 CA SER A 5 -14.118 4.689 -9.850 1.00 0.00 C ATOM 39 C SER A 5 -14.731 3.605 -8.962 1.00 0.00 C ATOM 40 O SER A 5 -15.903 3.685 -8.598 1.00 0.00 O ATOM 41 CB SER A 5 -13.403 5.736 -8.993 1.00 0.00 C ATOM 42 OG SER A 5 -12.308 6.332 -9.682 1.00 0.00 O ATOM 0 H SER A 5 -15.478 6.207 -10.337 1.00 0.00 H new ATOM 0 HA SER A 5 -13.380 4.234 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.112 6.510 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.044 5.270 -8.076 1.00 0.00 H new ATOM 0 HG SER A 5 -11.879 6.996 -9.102 1.00 0.00 H new ATOM 48 N SER A 6 -13.911 2.615 -8.640 1.00 0.00 N ATOM 49 CA SER A 6 -14.357 1.516 -7.802 1.00 0.00 C ATOM 50 C SER A 6 -13.514 1.454 -6.527 1.00 0.00 C ATOM 51 O SER A 6 -12.406 1.985 -6.485 1.00 0.00 O ATOM 52 CB SER A 6 -14.283 0.185 -8.553 1.00 0.00 C ATOM 53 OG SER A 6 -14.484 -0.929 -7.687 1.00 0.00 O ATOM 0 H SER A 6 -12.940 2.552 -8.945 1.00 0.00 H new ATOM 0 HA SER A 6 -15.398 1.693 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.035 0.171 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.311 0.096 -9.038 1.00 0.00 H new ATOM 0 HG SER A 6 -14.431 -1.759 -8.205 1.00 0.00 H new ATOM 59 N GLY A 7 -14.072 0.801 -5.518 1.00 0.00 N ATOM 60 CA GLY A 7 -13.385 0.663 -4.245 1.00 0.00 C ATOM 61 C GLY A 7 -12.344 -0.457 -4.302 1.00 0.00 C ATOM 62 O GLY A 7 -12.435 -1.352 -5.141 1.00 0.00 O ATOM 0 H GLY A 7 -14.992 0.362 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.899 1.604 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.109 0.452 -3.458 1.00 0.00 H new ATOM 66 N PRO A 8 -11.352 -0.368 -3.376 1.00 0.00 N ATOM 67 CA PRO A 8 -10.295 -1.363 -3.313 1.00 0.00 C ATOM 68 C PRO A 8 -10.805 -2.666 -2.693 1.00 0.00 C ATOM 69 O PRO A 8 -11.856 -2.685 -2.056 1.00 0.00 O ATOM 70 CB PRO A 8 -9.189 -0.711 -2.499 1.00 0.00 C ATOM 71 CG PRO A 8 -9.846 0.435 -1.747 1.00 0.00 C ATOM 72 CD PRO A 8 -11.212 0.678 -2.367 1.00 0.00 C ATOM 0 HA PRO A 8 -9.929 -1.651 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.740 -1.425 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.391 -0.347 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.945 0.190 -0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.233 1.334 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.003 0.616 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.273 1.670 -2.814 1.00 0.00 H new ATOM 80 N PRO A 9 -10.015 -3.752 -2.908 1.00 0.00 N ATOM 81 CA PRO A 9 -10.375 -5.056 -2.378 1.00 0.00 C ATOM 82 C PRO A 9 -10.119 -5.126 -0.872 1.00 0.00 C ATOM 83 O PRO A 9 -9.010 -4.856 -0.413 1.00 0.00 O ATOM 84 CB PRO A 9 -9.537 -6.048 -3.169 1.00 0.00 C ATOM 85 CG PRO A 9 -8.405 -5.239 -3.784 1.00 0.00 C ATOM 86 CD PRO A 9 -8.762 -3.767 -3.659 1.00 0.00 C ATOM 0 HA PRO A 9 -11.437 -5.275 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.149 -6.835 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.133 -6.535 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.465 -5.448 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.267 -5.511 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.981 -3.213 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.882 -3.304 -4.638 1.00 0.00 H new ATOM 94 N GLU A 10 -11.164 -5.489 -0.142 1.00 0.00 N ATOM 95 CA GLU A 10 -11.067 -5.597 1.303 1.00 0.00 C ATOM 96 C GLU A 10 -10.023 -6.647 1.688 1.00 0.00 C ATOM 97 O GLU A 10 -9.042 -6.335 2.361 1.00 0.00 O ATOM 98 CB GLU A 10 -12.427 -5.925 1.922 1.00 0.00 C ATOM 99 CG GLU A 10 -13.207 -4.647 2.238 1.00 0.00 C ATOM 100 CD GLU A 10 -14.355 -4.932 3.210 1.00 0.00 C ATOM 101 OE1 GLU A 10 -15.447 -5.279 2.712 1.00 0.00 O ATOM 102 OE2 GLU A 10 -14.113 -4.797 4.429 1.00 0.00 O ATOM 0 H GLU A 10 -12.083 -5.712 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.748 -4.633 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.003 -6.547 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.285 -6.504 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.536 -3.904 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.603 -4.221 1.316 1.00 0.00 H new ATOM 109 N ASP A 11 -10.269 -7.871 1.243 1.00 0.00 N ATOM 110 CA ASP A 11 -9.362 -8.969 1.533 1.00 0.00 C ATOM 111 C ASP A 11 -7.918 -8.481 1.400 1.00 0.00 C ATOM 112 O ASP A 11 -7.108 -8.675 2.305 1.00 0.00 O ATOM 113 CB ASP A 11 -9.563 -10.123 0.549 1.00 0.00 C ATOM 114 CG ASP A 11 -11.000 -10.640 0.443 1.00 0.00 C ATOM 115 OD1 ASP A 11 -11.725 -10.510 1.452 1.00 0.00 O ATOM 116 OD2 ASP A 11 -11.339 -11.153 -0.645 1.00 0.00 O ATOM 0 H ASP A 11 -11.083 -8.126 0.684 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.567 -9.318 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.235 -9.799 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.916 -10.949 0.844 1.00 0.00 H new ATOM 121 N CYS A 12 -7.640 -7.856 0.265 1.00 0.00 N ATOM 122 CA CYS A 12 -6.308 -7.339 0.002 1.00 0.00 C ATOM 123 C CYS A 12 -5.880 -6.486 1.198 1.00 0.00 C ATOM 124 O CYS A 12 -4.868 -6.771 1.837 1.00 0.00 O ATOM 125 CB CYS A 12 -6.256 -6.551 -1.309 1.00 0.00 C ATOM 126 SG CYS A 12 -4.614 -5.766 -1.502 1.00 0.00 S ATOM 0 H CYS A 12 -8.315 -7.696 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.611 -8.168 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.452 -7.216 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.036 -5.789 -1.316 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.401 -4.955 -0.509 1.00 0.00 H new ATOM 132 N VAL A 13 -6.671 -5.457 1.464 1.00 0.00 N ATOM 133 CA VAL A 13 -6.386 -4.562 2.572 1.00 0.00 C ATOM 134 C VAL A 13 -6.013 -5.386 3.806 1.00 0.00 C ATOM 135 O VAL A 13 -5.044 -5.074 4.496 1.00 0.00 O ATOM 136 CB VAL A 13 -7.576 -3.631 2.812 1.00 0.00 C ATOM 137 CG1 VAL A 13 -7.396 -2.833 4.105 1.00 0.00 C ATOM 138 CG2 VAL A 13 -7.791 -2.698 1.618 1.00 0.00 C ATOM 0 H VAL A 13 -7.509 -5.223 0.931 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.534 -3.924 2.338 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.468 -4.248 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.256 -2.179 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.314 -3.519 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.490 -2.231 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.643 -2.047 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.898 -2.092 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.985 -3.290 0.724 1.00 0.00 H new ATOM 148 N THR A 14 -6.803 -6.422 4.047 1.00 0.00 N ATOM 149 CA THR A 14 -6.569 -7.293 5.186 1.00 0.00 C ATOM 150 C THR A 14 -5.215 -7.992 5.052 1.00 0.00 C ATOM 151 O THR A 14 -4.325 -7.793 5.878 1.00 0.00 O ATOM 152 CB THR A 14 -7.747 -8.264 5.288 1.00 0.00 C ATOM 153 OG1 THR A 14 -8.864 -7.427 5.571 1.00 0.00 O ATOM 154 CG2 THR A 14 -7.647 -9.179 6.511 1.00 0.00 C ATOM 0 H THR A 14 -7.606 -6.678 3.473 1.00 0.00 H new ATOM 0 HA THR A 14 -6.516 -6.725 6.115 1.00 0.00 H new ATOM 0 HB THR A 14 -7.796 -8.871 4.384 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.672 -7.976 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.507 -9.848 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.731 -9.767 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.631 -8.574 7.418 1.00 0.00 H new ATOM 162 N THR A 15 -5.101 -8.798 4.006 1.00 0.00 N ATOM 163 CA THR A 15 -3.870 -9.527 3.754 1.00 0.00 C ATOM 164 C THR A 15 -2.656 -8.655 4.080 1.00 0.00 C ATOM 165 O THR A 15 -1.810 -9.038 4.885 1.00 0.00 O ATOM 166 CB THR A 15 -3.897 -10.014 2.304 1.00 0.00 C ATOM 167 OG1 THR A 15 -4.886 -11.040 2.300 1.00 0.00 O ATOM 168 CG2 THR A 15 -2.609 -10.736 1.904 1.00 0.00 C ATOM 0 H THR A 15 -5.841 -8.962 3.324 1.00 0.00 H new ATOM 0 HA THR A 15 -3.787 -10.399 4.403 1.00 0.00 H new ATOM 0 HB THR A 15 -4.058 -9.165 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.970 -11.410 1.396 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.681 -11.061 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.763 -10.058 2.014 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.464 -11.604 2.547 1.00 0.00 H new ATOM 176 N ILE A 16 -2.610 -7.497 3.436 1.00 0.00 N ATOM 177 CA ILE A 16 -1.514 -6.567 3.647 1.00 0.00 C ATOM 178 C ILE A 16 -1.327 -6.337 5.148 1.00 0.00 C ATOM 179 O ILE A 16 -0.334 -6.774 5.728 1.00 0.00 O ATOM 180 CB ILE A 16 -1.743 -5.280 2.852 1.00 0.00 C ATOM 181 CG1 ILE A 16 -1.504 -5.508 1.358 1.00 0.00 C ATOM 182 CG2 ILE A 16 -0.888 -4.136 3.402 1.00 0.00 C ATOM 183 CD1 ILE A 16 -1.807 -4.242 0.555 1.00 0.00 C ATOM 0 H ILE A 16 -3.314 -7.182 2.768 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.581 -6.986 3.270 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.786 -4.987 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.469 -5.808 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.133 -6.326 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.070 -3.233 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.150 -3.954 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.166 -4.405 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.629 -4.431 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.849 -3.958 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.159 -3.433 0.893 1.00 0.00 H new ATOM 195 N VAL A 17 -2.298 -5.653 5.735 1.00 0.00 N ATOM 196 CA VAL A 17 -2.253 -5.360 7.158 1.00 0.00 C ATOM 197 C VAL A 17 -1.846 -6.622 7.921 1.00 0.00 C ATOM 198 O VAL A 17 -1.022 -6.561 8.833 1.00 0.00 O ATOM 199 CB VAL A 17 -3.597 -4.791 7.618 1.00 0.00 C ATOM 200 CG1 VAL A 17 -3.604 -4.554 9.129 1.00 0.00 C ATOM 201 CG2 VAL A 17 -3.937 -3.507 6.859 1.00 0.00 C ATOM 0 H VAL A 17 -3.121 -5.293 5.251 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.503 -4.597 7.367 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.368 -5.528 7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.571 -4.149 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.429 -5.497 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.817 -3.846 9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.897 -3.123 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.162 -2.762 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.995 -3.720 5.792 1.00 0.00 H new ATOM 211 N SER A 18 -2.441 -7.736 7.520 1.00 0.00 N ATOM 212 CA SER A 18 -2.150 -9.010 8.155 1.00 0.00 C ATOM 213 C SER A 18 -0.637 -9.203 8.271 1.00 0.00 C ATOM 214 O SER A 18 -0.147 -9.707 9.281 1.00 0.00 O ATOM 215 CB SER A 18 -2.775 -10.169 7.376 1.00 0.00 C ATOM 216 OG SER A 18 -3.813 -10.810 8.114 1.00 0.00 O ATOM 0 H SER A 18 -3.123 -7.783 6.763 1.00 0.00 H new ATOM 0 HA SER A 18 -2.586 -9.002 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.177 -9.797 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.003 -10.898 7.128 1.00 0.00 H new ATOM 0 HG SER A 18 -4.188 -11.543 7.582 1.00 0.00 H new ATOM 222 N MET A 19 0.062 -8.793 7.223 1.00 0.00 N ATOM 223 CA MET A 19 1.510 -8.915 7.194 1.00 0.00 C ATOM 224 C MET A 19 2.157 -8.004 8.239 1.00 0.00 C ATOM 225 O MET A 19 3.268 -8.270 8.697 1.00 0.00 O ATOM 226 CB MET A 19 2.026 -8.543 5.803 1.00 0.00 C ATOM 227 CG MET A 19 1.115 -9.108 4.711 1.00 0.00 C ATOM 228 SD MET A 19 2.097 -9.729 3.356 1.00 0.00 S ATOM 229 CE MET A 19 1.364 -8.826 2.002 1.00 0.00 C ATOM 0 H MET A 19 -0.347 -8.376 6.387 1.00 0.00 H new ATOM 0 HA MET A 19 1.774 -9.947 7.425 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.082 -7.458 5.710 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.038 -8.927 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.497 -9.908 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.437 -8.332 4.354 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.532 -9.367 1.071 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.293 -8.721 2.172 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.819 -7.838 1.935 1.00 0.00 H new ATOM 239 N GLY A 20 1.436 -6.949 8.587 1.00 0.00 N ATOM 240 CA GLY A 20 1.926 -5.997 9.569 1.00 0.00 C ATOM 241 C GLY A 20 2.159 -4.624 8.934 1.00 0.00 C ATOM 242 O GLY A 20 3.020 -3.868 9.381 1.00 0.00 O ATOM 0 H GLY A 20 0.515 -6.732 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.208 -5.907 10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.856 -6.363 10.003 1.00 0.00 H new ATOM 246 N PHE A 21 1.376 -4.345 7.903 1.00 0.00 N ATOM 247 CA PHE A 21 1.486 -3.076 7.202 1.00 0.00 C ATOM 248 C PHE A 21 0.390 -2.106 7.648 1.00 0.00 C ATOM 249 O PHE A 21 -0.598 -2.517 8.255 1.00 0.00 O ATOM 250 CB PHE A 21 1.312 -3.373 5.711 1.00 0.00 C ATOM 251 CG PHE A 21 2.501 -4.098 5.078 1.00 0.00 C ATOM 252 CD1 PHE A 21 3.703 -3.471 4.972 1.00 0.00 C ATOM 253 CD2 PHE A 21 2.356 -5.371 4.620 1.00 0.00 C ATOM 254 CE1 PHE A 21 4.806 -4.144 4.385 1.00 0.00 C ATOM 255 CE2 PHE A 21 3.459 -6.044 4.033 1.00 0.00 C ATOM 256 CZ PHE A 21 4.661 -5.416 3.927 1.00 0.00 C ATOM 0 H PHE A 21 0.663 -4.975 7.536 1.00 0.00 H new ATOM 0 HA PHE A 21 2.450 -2.615 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.416 -3.978 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.148 -2.435 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.818 -2.460 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.401 -5.869 4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.761 -3.646 4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.344 -7.055 3.670 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.500 -5.928 3.479 1.00 0.00 H new ATOM 266 N SER A 22 0.603 -0.838 7.332 1.00 0.00 N ATOM 267 CA SER A 22 -0.355 0.194 7.693 1.00 0.00 C ATOM 268 C SER A 22 -1.527 0.187 6.710 1.00 0.00 C ATOM 269 O SER A 22 -1.334 0.004 5.509 1.00 0.00 O ATOM 270 CB SER A 22 0.307 1.574 7.720 1.00 0.00 C ATOM 271 OG SER A 22 1.598 1.535 8.322 1.00 0.00 O ATOM 0 H SER A 22 1.424 -0.501 6.830 1.00 0.00 H new ATOM 0 HA SER A 22 -0.728 -0.020 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.393 1.955 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.328 2.270 8.268 1.00 0.00 H new ATOM 0 HG SER A 22 1.988 2.434 8.319 1.00 0.00 H new ATOM 277 N ARG A 23 -2.717 0.388 7.256 1.00 0.00 N ATOM 278 CA ARG A 23 -3.921 0.408 6.442 1.00 0.00 C ATOM 279 C ARG A 23 -3.778 1.424 5.307 1.00 0.00 C ATOM 280 O ARG A 23 -4.059 1.112 4.151 1.00 0.00 O ATOM 281 CB ARG A 23 -5.149 0.762 7.283 1.00 0.00 C ATOM 282 CG ARG A 23 -5.808 -0.498 7.848 1.00 0.00 C ATOM 283 CD ARG A 23 -7.294 -0.549 7.485 1.00 0.00 C ATOM 284 NE ARG A 23 -8.112 -0.127 8.644 1.00 0.00 N ATOM 285 CZ ARG A 23 -9.450 -0.049 8.630 1.00 0.00 C ATOM 286 NH1 ARG A 23 -10.128 -0.365 7.519 1.00 0.00 N ATOM 287 NH2 ARG A 23 -10.109 0.344 9.729 1.00 0.00 N ATOM 0 H ARG A 23 -2.874 0.539 8.253 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.056 -0.590 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.857 1.422 8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.867 1.310 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.304 -1.382 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.694 -0.518 8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.492 0.102 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.569 -1.560 7.184 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.627 0.120 9.507 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.626 -0.665 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.146 -0.306 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.592 0.583 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.127 0.404 9.719 1.00 0.00 H new ATOM 301 N ASP A 24 -3.342 2.619 5.678 1.00 0.00 N ATOM 302 CA ASP A 24 -3.159 3.683 4.705 1.00 0.00 C ATOM 303 C ASP A 24 -2.301 3.168 3.548 1.00 0.00 C ATOM 304 O ASP A 24 -2.644 3.362 2.383 1.00 0.00 O ATOM 305 CB ASP A 24 -2.441 4.882 5.329 1.00 0.00 C ATOM 306 CG ASP A 24 -3.362 5.950 5.922 1.00 0.00 C ATOM 307 OD1 ASP A 24 -3.835 6.794 5.131 1.00 0.00 O ATOM 308 OD2 ASP A 24 -3.572 5.898 7.154 1.00 0.00 O ATOM 0 H ASP A 24 -3.110 2.874 6.638 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.144 3.994 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.776 4.520 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.813 5.347 4.569 1.00 0.00 H new ATOM 313 N GLN A 25 -1.202 2.522 3.910 1.00 0.00 N ATOM 314 CA GLN A 25 -0.293 1.978 2.916 1.00 0.00 C ATOM 315 C GLN A 25 -1.041 1.037 1.970 1.00 0.00 C ATOM 316 O GLN A 25 -1.046 1.244 0.757 1.00 0.00 O ATOM 317 CB GLN A 25 0.884 1.263 3.582 1.00 0.00 C ATOM 318 CG GLN A 25 1.801 2.261 4.293 1.00 0.00 C ATOM 319 CD GLN A 25 3.201 2.256 3.675 1.00 0.00 C ATOM 320 OE1 GLN A 25 3.879 1.243 3.620 1.00 0.00 O ATOM 321 NE2 GLN A 25 3.593 3.440 3.214 1.00 0.00 N ATOM 0 H GLN A 25 -0.921 2.363 4.878 1.00 0.00 H new ATOM 0 HA GLN A 25 0.110 2.805 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.511 0.532 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.452 0.713 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.375 3.262 4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.866 2.010 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.975 4.248 3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.512 3.540 2.782 1.00 0.00 H new ATOM 330 N ALA A 26 -1.657 0.023 2.560 1.00 0.00 N ATOM 331 CA ALA A 26 -2.407 -0.951 1.785 1.00 0.00 C ATOM 332 C ALA A 26 -3.287 -0.219 0.770 1.00 0.00 C ATOM 333 O ALA A 26 -3.238 -0.511 -0.424 1.00 0.00 O ATOM 334 CB ALA A 26 -3.220 -1.838 2.730 1.00 0.00 C ATOM 0 H ALA A 26 -1.652 -0.145 3.566 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.732 -1.601 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.783 -2.569 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.546 -2.357 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.911 -1.221 3.304 1.00 0.00 H new ATOM 340 N LEU A 27 -4.072 0.718 1.282 1.00 0.00 N ATOM 341 CA LEU A 27 -4.962 1.494 0.435 1.00 0.00 C ATOM 342 C LEU A 27 -4.144 2.189 -0.655 1.00 0.00 C ATOM 343 O LEU A 27 -4.374 1.971 -1.843 1.00 0.00 O ATOM 344 CB LEU A 27 -5.804 2.453 1.279 1.00 0.00 C ATOM 345 CG LEU A 27 -7.070 1.863 1.902 1.00 0.00 C ATOM 346 CD1 LEU A 27 -7.533 2.699 3.098 1.00 0.00 C ATOM 347 CD2 LEU A 27 -8.173 1.702 0.854 1.00 0.00 C ATOM 0 H LEU A 27 -4.110 0.957 2.273 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.675 0.841 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.178 2.846 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.091 3.299 0.654 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.834 0.867 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.435 2.258 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.748 2.719 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.746 3.716 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.062 1.281 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.415 2.676 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.829 1.035 0.063 1.00 0.00 H new ATOM 359 N LYS A 28 -3.206 3.013 -0.211 1.00 0.00 N ATOM 360 CA LYS A 28 -2.353 3.742 -1.134 1.00 0.00 C ATOM 361 C LYS A 28 -1.785 2.772 -2.172 1.00 0.00 C ATOM 362 O LYS A 28 -2.044 2.912 -3.366 1.00 0.00 O ATOM 363 CB LYS A 28 -1.281 4.523 -0.371 1.00 0.00 C ATOM 364 CG LYS A 28 -1.478 6.031 -0.536 1.00 0.00 C ATOM 365 CD LYS A 28 -0.139 6.768 -0.482 1.00 0.00 C ATOM 366 CE LYS A 28 0.295 7.011 0.965 1.00 0.00 C ATOM 367 NZ LYS A 28 1.706 7.454 1.016 1.00 0.00 N ATOM 0 H LYS A 28 -3.018 3.192 0.775 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.932 4.489 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.319 4.261 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.293 4.240 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.971 6.235 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.134 6.404 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.622 6.185 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.223 7.721 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.346 7.766 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.174 6.097 1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.984 7.614 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.315 6.721 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.812 8.338 0.479 1.00 0.00 H new ATOM 381 N ALA A 29 -1.020 1.809 -1.678 1.00 0.00 N ATOM 382 CA ALA A 29 -0.413 0.815 -2.547 1.00 0.00 C ATOM 383 C ALA A 29 -1.420 0.401 -3.622 1.00 0.00 C ATOM 384 O ALA A 29 -1.200 0.639 -4.809 1.00 0.00 O ATOM 385 CB ALA A 29 0.066 -0.372 -1.709 1.00 0.00 C ATOM 0 H ALA A 29 -0.807 1.696 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 29 0.459 1.229 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.521 -1.118 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.801 -0.030 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.782 -0.815 -1.188 1.00 0.00 H new ATOM 391 N LEU A 30 -2.503 -0.212 -3.168 1.00 0.00 N ATOM 392 CA LEU A 30 -3.545 -0.661 -4.076 1.00 0.00 C ATOM 393 C LEU A 30 -3.775 0.405 -5.149 1.00 0.00 C ATOM 394 O LEU A 30 -3.508 0.174 -6.327 1.00 0.00 O ATOM 395 CB LEU A 30 -4.809 -1.035 -3.299 1.00 0.00 C ATOM 396 CG LEU A 30 -4.821 -2.430 -2.671 1.00 0.00 C ATOM 397 CD1 LEU A 30 -5.981 -2.576 -1.684 1.00 0.00 C ATOM 398 CD2 LEU A 30 -4.845 -3.517 -3.748 1.00 0.00 C ATOM 0 H LEU A 30 -2.682 -0.408 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.235 -1.570 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.956 -0.300 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.663 -0.954 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.898 -2.558 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.967 -3.576 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.879 -1.836 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.925 -2.420 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.853 -4.499 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.739 -3.402 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.960 -3.425 -4.377 1.00 0.00 H new ATOM 410 N ARG A 31 -4.269 1.551 -4.703 1.00 0.00 N ATOM 411 CA ARG A 31 -4.539 2.654 -5.609 1.00 0.00 C ATOM 412 C ARG A 31 -3.299 2.963 -6.452 1.00 0.00 C ATOM 413 O ARG A 31 -3.415 3.407 -7.593 1.00 0.00 O ATOM 414 CB ARG A 31 -4.951 3.911 -4.841 1.00 0.00 C ATOM 415 CG ARG A 31 -6.174 4.569 -5.482 1.00 0.00 C ATOM 416 CD ARG A 31 -6.305 6.029 -5.043 1.00 0.00 C ATOM 417 NE ARG A 31 -7.683 6.510 -5.289 1.00 0.00 N ATOM 418 CZ ARG A 31 -8.190 7.634 -4.766 1.00 0.00 C ATOM 419 NH1 ARG A 31 -7.437 8.400 -3.965 1.00 0.00 N ATOM 420 NH2 ARG A 31 -9.451 7.993 -5.044 1.00 0.00 N ATOM 0 H ARG A 31 -4.489 1.739 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.361 2.355 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.174 3.652 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.122 4.618 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.092 4.518 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.074 4.020 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.062 6.122 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.592 6.647 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.284 5.951 -5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.477 8.127 -3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.824 9.256 -3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.025 7.410 -5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.837 8.849 -4.646 1.00 0.00 H new ATOM 434 N ALA A 32 -2.142 2.717 -5.856 1.00 0.00 N ATOM 435 CA ALA A 32 -0.882 2.964 -6.538 1.00 0.00 C ATOM 436 C ALA A 32 -0.650 1.871 -7.582 1.00 0.00 C ATOM 437 O ALA A 32 0.098 2.070 -8.538 1.00 0.00 O ATOM 438 CB ALA A 32 0.249 3.038 -5.510 1.00 0.00 C ATOM 0 H ALA A 32 -2.050 2.349 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.910 3.920 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.194 3.223 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.051 3.849 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.309 2.095 -4.967 1.00 0.00 H new ATOM 444 N THR A 33 -1.305 0.740 -7.365 1.00 0.00 N ATOM 445 CA THR A 33 -1.179 -0.385 -8.276 1.00 0.00 C ATOM 446 C THR A 33 -2.534 -0.717 -8.904 1.00 0.00 C ATOM 447 O THR A 33 -2.913 -1.884 -8.990 1.00 0.00 O ATOM 448 CB THR A 33 -0.566 -1.554 -7.502 1.00 0.00 C ATOM 449 OG1 THR A 33 -1.597 -1.955 -6.605 1.00 0.00 O ATOM 450 CG2 THR A 33 0.577 -1.113 -6.584 1.00 0.00 C ATOM 0 H THR A 33 -1.925 0.578 -6.571 1.00 0.00 H new ATOM 0 HA THR A 33 -0.519 -0.146 -9.110 1.00 0.00 H new ATOM 0 HB THR A 33 -0.199 -2.302 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.231 -1.217 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.977 -1.980 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.366 -0.655 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.203 -0.390 -5.859 1.00 0.00 H new ATOM 458 N ASN A 34 -3.227 0.330 -9.327 1.00 0.00 N ATOM 459 CA ASN A 34 -4.531 0.165 -9.945 1.00 0.00 C ATOM 460 C ASN A 34 -5.317 -0.908 -9.188 1.00 0.00 C ATOM 461 O ASN A 34 -5.956 -1.762 -9.800 1.00 0.00 O ATOM 462 CB ASN A 34 -4.398 -0.286 -11.401 1.00 0.00 C ATOM 463 CG ASN A 34 -5.543 0.267 -12.253 1.00 0.00 C ATOM 464 OD1 ASN A 34 -5.960 1.405 -12.115 1.00 0.00 O ATOM 465 ND2 ASN A 34 -6.026 -0.600 -13.137 1.00 0.00 N ATOM 0 H ASN A 34 -2.909 1.296 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.044 1.126 -9.911 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.444 0.052 -11.804 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.397 -1.375 -11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.792 -0.327 -13.752 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.630 -1.538 -13.200 1.00 0.00 H new ATOM 472 N ASN A 35 -5.243 -0.829 -7.867 1.00 0.00 N ATOM 473 CA ASN A 35 -5.939 -1.782 -7.020 1.00 0.00 C ATOM 474 C ASN A 35 -5.405 -3.189 -7.297 1.00 0.00 C ATOM 475 O ASN A 35 -6.126 -4.040 -7.815 1.00 0.00 O ATOM 476 CB ASN A 35 -7.442 -1.782 -7.310 1.00 0.00 C ATOM 477 CG ASN A 35 -8.039 -0.388 -7.110 1.00 0.00 C ATOM 478 OD1 ASN A 35 -7.376 0.544 -6.683 1.00 0.00 O ATOM 479 ND2 ASN A 35 -9.323 -0.297 -7.442 1.00 0.00 N ATOM 0 H ASN A 35 -4.711 -0.119 -7.363 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.772 -1.495 -5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.619 -2.114 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.943 -2.494 -6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.813 0.592 -7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.818 -1.117 -7.793 1.00 0.00 H new ATOM 486 N SER A 36 -4.145 -3.389 -6.940 1.00 0.00 N ATOM 487 CA SER A 36 -3.505 -4.678 -7.143 1.00 0.00 C ATOM 488 C SER A 36 -2.925 -5.189 -5.823 1.00 0.00 C ATOM 489 O SER A 36 -2.434 -4.405 -5.012 1.00 0.00 O ATOM 490 CB SER A 36 -2.407 -4.587 -8.205 1.00 0.00 C ATOM 491 OG SER A 36 -1.603 -5.763 -8.244 1.00 0.00 O ATOM 0 H SER A 36 -3.550 -2.680 -6.511 1.00 0.00 H new ATOM 0 HA SER A 36 -4.259 -5.381 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.861 -4.426 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.775 -3.723 -8.000 1.00 0.00 H new ATOM 0 HG SER A 36 -1.142 -5.815 -9.107 1.00 0.00 H new ATOM 497 N LEU A 37 -3.002 -6.500 -5.647 1.00 0.00 N ATOM 498 CA LEU A 37 -2.491 -7.124 -4.439 1.00 0.00 C ATOM 499 C LEU A 37 -0.996 -7.405 -4.608 1.00 0.00 C ATOM 500 O LEU A 37 -0.178 -6.923 -3.826 1.00 0.00 O ATOM 501 CB LEU A 37 -3.314 -8.365 -4.088 1.00 0.00 C ATOM 502 CG LEU A 37 -2.683 -9.325 -3.077 1.00 0.00 C ATOM 503 CD1 LEU A 37 -2.697 -8.724 -1.669 1.00 0.00 C ATOM 504 CD2 LEU A 37 -3.363 -10.694 -3.122 1.00 0.00 C ATOM 0 H LEU A 37 -3.411 -7.147 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.595 -6.450 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.278 -8.039 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.513 -8.916 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.639 -9.475 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.243 -9.426 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.132 -7.792 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.726 -8.526 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.895 -11.357 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.421 -10.583 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.258 -11.120 -4.120 1.00 0.00 H new ATOM 516 N GLU A 38 -0.685 -8.184 -5.634 1.00 0.00 N ATOM 517 CA GLU A 38 0.696 -8.534 -5.915 1.00 0.00 C ATOM 518 C GLU A 38 1.556 -7.272 -6.008 1.00 0.00 C ATOM 519 O GLU A 38 2.493 -7.096 -5.230 1.00 0.00 O ATOM 520 CB GLU A 38 0.801 -9.364 -7.196 1.00 0.00 C ATOM 521 CG GLU A 38 0.748 -10.861 -6.886 1.00 0.00 C ATOM 522 CD GLU A 38 1.057 -11.691 -8.134 1.00 0.00 C ATOM 523 OE1 GLU A 38 1.918 -11.237 -8.918 1.00 0.00 O ATOM 524 OE2 GLU A 38 0.425 -12.761 -8.274 1.00 0.00 O ATOM 0 H GLU A 38 -1.366 -8.582 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 38 1.070 -9.145 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.012 -9.100 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.733 -9.128 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.465 -11.099 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.240 -11.123 -6.506 1.00 0.00 H new ATOM 531 N ARG A 39 1.207 -6.426 -6.965 1.00 0.00 N ATOM 532 CA ARG A 39 1.935 -5.185 -7.169 1.00 0.00 C ATOM 533 C ARG A 39 2.067 -4.424 -5.849 1.00 0.00 C ATOM 534 O ARG A 39 3.170 -4.055 -5.448 1.00 0.00 O ATOM 535 CB ARG A 39 1.230 -4.295 -8.195 1.00 0.00 C ATOM 536 CG ARG A 39 1.543 -4.749 -9.622 1.00 0.00 C ATOM 537 CD ARG A 39 2.218 -3.631 -10.418 1.00 0.00 C ATOM 538 NE ARG A 39 3.662 -3.581 -10.096 1.00 0.00 N ATOM 539 CZ ARG A 39 4.591 -3.038 -10.894 1.00 0.00 C ATOM 540 NH1 ARG A 39 4.234 -2.495 -12.066 1.00 0.00 N ATOM 541 NH2 ARG A 39 5.878 -3.038 -10.521 1.00 0.00 N ATOM 0 H ARG A 39 0.430 -6.575 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 39 2.926 -5.440 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.153 -4.324 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.545 -3.260 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.193 -5.624 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.622 -5.051 -10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.081 -3.800 -11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.751 -2.674 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 39 3.969 -3.985 -9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.255 -2.495 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.942 -2.082 -12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.151 -3.452 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.585 -2.625 -11.129 1.00 0.00 H new ATOM 555 N ALA A 40 0.927 -4.210 -5.209 1.00 0.00 N ATOM 556 CA ALA A 40 0.901 -3.500 -3.942 1.00 0.00 C ATOM 557 C ALA A 40 2.074 -3.965 -3.077 1.00 0.00 C ATOM 558 O ALA A 40 2.982 -3.189 -2.786 1.00 0.00 O ATOM 559 CB ALA A 40 -0.451 -3.721 -3.260 1.00 0.00 C ATOM 0 H ALA A 40 0.014 -4.516 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 40 1.014 -2.428 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.470 -3.188 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.248 -3.346 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.599 -4.786 -3.082 1.00 0.00 H new ATOM 565 N VAL A 41 2.016 -5.231 -2.690 1.00 0.00 N ATOM 566 CA VAL A 41 3.062 -5.810 -1.864 1.00 0.00 C ATOM 567 C VAL A 41 4.428 -5.368 -2.395 1.00 0.00 C ATOM 568 O VAL A 41 5.315 -5.015 -1.620 1.00 0.00 O ATOM 569 CB VAL A 41 2.905 -7.330 -1.809 1.00 0.00 C ATOM 570 CG1 VAL A 41 4.141 -7.987 -1.190 1.00 0.00 C ATOM 571 CG2 VAL A 41 1.636 -7.723 -1.050 1.00 0.00 C ATOM 0 H VAL A 41 1.261 -5.872 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 41 2.980 -5.452 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 41 2.809 -7.694 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.003 -9.068 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.019 -7.748 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.282 -7.614 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.548 -8.809 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.688 -7.340 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.766 -7.300 -1.552 1.00 0.00 H new ATOM 581 N ASP A 42 4.554 -5.404 -3.714 1.00 0.00 N ATOM 582 CA ASP A 42 5.796 -5.012 -4.357 1.00 0.00 C ATOM 583 C ASP A 42 6.039 -3.520 -4.122 1.00 0.00 C ATOM 584 O ASP A 42 7.136 -3.120 -3.734 1.00 0.00 O ATOM 585 CB ASP A 42 5.732 -5.248 -5.868 1.00 0.00 C ATOM 586 CG ASP A 42 6.634 -6.369 -6.386 1.00 0.00 C ATOM 587 OD1 ASP A 42 6.677 -7.421 -5.711 1.00 0.00 O ATOM 588 OD2 ASP A 42 7.260 -6.151 -7.446 1.00 0.00 O ATOM 0 H ASP A 42 3.816 -5.699 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 42 6.600 -5.612 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.702 -5.475 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.000 -4.322 -6.377 1.00 0.00 H new ATOM 593 N TRP A 43 4.998 -2.738 -4.366 1.00 0.00 N ATOM 594 CA TRP A 43 5.085 -1.298 -4.185 1.00 0.00 C ATOM 595 C TRP A 43 5.402 -1.025 -2.713 1.00 0.00 C ATOM 596 O TRP A 43 6.043 -0.027 -2.388 1.00 0.00 O ATOM 597 CB TRP A 43 3.805 -0.608 -4.659 1.00 0.00 C ATOM 598 CG TRP A 43 3.900 0.918 -4.701 1.00 0.00 C ATOM 599 CD1 TRP A 43 4.218 1.697 -5.745 1.00 0.00 C ATOM 600 CD2 TRP A 43 3.660 1.825 -3.605 1.00 0.00 C ATOM 601 NE1 TRP A 43 4.201 3.034 -5.402 1.00 0.00 N ATOM 602 CE2 TRP A 43 3.851 3.114 -4.059 1.00 0.00 C ATOM 603 CE3 TRP A 43 3.294 1.565 -2.272 1.00 0.00 C ATOM 604 CZ2 TRP A 43 3.698 4.244 -3.247 1.00 0.00 C ATOM 605 CZ3 TRP A 43 3.145 2.705 -1.473 1.00 0.00 C ATOM 606 CH2 TRP A 43 3.334 4.009 -1.916 1.00 0.00 C ATOM 0 H TRP A 43 4.090 -3.074 -4.687 1.00 0.00 H new ATOM 0 HA TRP A 43 5.884 -0.880 -4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.555 -0.974 -5.655 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.985 -0.893 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.457 1.325 -6.730 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.407 3.819 -6.020 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.140 0.565 -1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.852 5.243 -3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.864 2.561 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.201 4.837 -1.236 1.00 0.00 H new ATOM 617 N ILE A 44 4.938 -1.929 -1.863 1.00 0.00 N ATOM 618 CA ILE A 44 5.164 -1.798 -0.434 1.00 0.00 C ATOM 619 C ILE A 44 6.637 -2.074 -0.127 1.00 0.00 C ATOM 620 O ILE A 44 7.377 -1.166 0.247 1.00 0.00 O ATOM 621 CB ILE A 44 4.196 -2.691 0.345 1.00 0.00 C ATOM 622 CG1 ILE A 44 2.815 -2.041 0.451 1.00 0.00 C ATOM 623 CG2 ILE A 44 4.767 -3.051 1.718 1.00 0.00 C ATOM 624 CD1 ILE A 44 1.799 -3.008 1.063 1.00 0.00 C ATOM 0 H ILE A 44 4.406 -2.755 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 44 4.956 -0.779 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 44 4.072 -3.623 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.879 -1.141 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.478 -1.732 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.060 -3.686 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.709 -3.584 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.939 -2.140 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.826 -2.521 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.720 -3.897 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.127 -3.296 2.062 1.00 0.00 H new ATOM 636 N PHE A 45 7.019 -3.331 -0.298 1.00 0.00 N ATOM 637 CA PHE A 45 8.391 -3.738 -0.045 1.00 0.00 C ATOM 638 C PHE A 45 9.378 -2.684 -0.552 1.00 0.00 C ATOM 639 O PHE A 45 10.335 -2.341 0.141 1.00 0.00 O ATOM 640 CB PHE A 45 8.619 -5.043 -0.809 1.00 0.00 C ATOM 641 CG PHE A 45 8.401 -6.303 0.031 1.00 0.00 C ATOM 642 CD1 PHE A 45 7.237 -6.473 0.713 1.00 0.00 C ATOM 643 CD2 PHE A 45 9.372 -7.253 0.096 1.00 0.00 C ATOM 644 CE1 PHE A 45 7.035 -7.642 1.493 1.00 0.00 C ATOM 645 CE2 PHE A 45 9.170 -8.422 0.876 1.00 0.00 C ATOM 646 CZ PHE A 45 8.005 -8.592 1.558 1.00 0.00 C ATOM 0 H PHE A 45 6.402 -4.082 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 45 8.551 -3.861 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.948 -5.071 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.637 -5.050 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.466 -5.719 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.297 -7.118 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.110 -7.776 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.941 -9.176 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.851 -9.482 2.151 1.00 0.00 H new ATOM 656 N SER A 46 9.111 -2.200 -1.756 1.00 0.00 N ATOM 657 CA SER A 46 9.963 -1.193 -2.364 1.00 0.00 C ATOM 658 C SER A 46 10.177 -0.032 -1.390 1.00 0.00 C ATOM 659 O SER A 46 11.311 0.377 -1.145 1.00 0.00 O ATOM 660 CB SER A 46 9.364 -0.682 -3.675 1.00 0.00 C ATOM 661 OG SER A 46 10.186 -0.996 -4.796 1.00 0.00 O ATOM 0 H SER A 46 8.316 -2.487 -2.327 1.00 0.00 H new ATOM 0 HA SER A 46 10.925 -1.651 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.376 -1.119 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.229 0.398 -3.615 1.00 0.00 H new ATOM 0 HG SER A 46 9.768 -0.654 -5.614 1.00 0.00 H new ATOM 667 N HIS A 47 9.069 0.467 -0.862 1.00 0.00 N ATOM 668 CA HIS A 47 9.121 1.572 0.080 1.00 0.00 C ATOM 669 C HIS A 47 10.013 1.197 1.264 1.00 0.00 C ATOM 670 O HIS A 47 10.875 1.976 1.669 1.00 0.00 O ATOM 671 CB HIS A 47 7.712 1.989 0.507 1.00 0.00 C ATOM 672 CG HIS A 47 7.355 3.411 0.144 1.00 0.00 C ATOM 673 ND1 HIS A 47 6.048 3.856 0.054 1.00 0.00 N ATOM 674 CD2 HIS A 47 8.148 4.482 -0.148 1.00 0.00 C ATOM 675 CE1 HIS A 47 6.065 5.138 -0.279 1.00 0.00 C ATOM 676 NE2 HIS A 47 7.368 5.524 -0.404 1.00 0.00 N ATOM 0 H HIS A 47 8.130 0.126 -1.069 1.00 0.00 H new ATOM 0 HA HIS A 47 9.565 2.444 -0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.990 1.315 0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.619 1.866 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.228 4.482 -0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.200 5.767 -0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.689 6.459 -0.653 1.00 0.00 H new ATOM 684 N ILE A 48 9.775 0.003 1.787 1.00 0.00 N ATOM 685 CA ILE A 48 10.546 -0.486 2.918 1.00 0.00 C ATOM 686 C ILE A 48 12.038 -0.390 2.592 1.00 0.00 C ATOM 687 O ILE A 48 12.765 0.381 3.215 1.00 0.00 O ATOM 688 CB ILE A 48 10.091 -1.893 3.309 1.00 0.00 C ATOM 689 CG1 ILE A 48 8.818 -1.843 4.155 1.00 0.00 C ATOM 690 CG2 ILE A 48 11.215 -2.658 4.010 1.00 0.00 C ATOM 691 CD1 ILE A 48 7.599 -2.279 3.339 1.00 0.00 C ATOM 0 H ILE A 48 9.059 -0.640 1.449 1.00 0.00 H new ATOM 0 HA ILE A 48 10.370 0.136 3.796 1.00 0.00 H new ATOM 0 HB ILE A 48 9.850 -2.439 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.929 -2.492 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.666 -0.831 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.865 -3.655 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.071 -2.741 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.511 -2.123 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.707 -2.234 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.476 -1.614 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.744 -3.300 2.986 1.00 0.00 H new ATOM 703 N ASP A 49 12.450 -1.186 1.615 1.00 0.00 N ATOM 704 CA ASP A 49 13.842 -1.200 1.198 1.00 0.00 C ATOM 705 C ASP A 49 14.330 0.238 1.015 1.00 0.00 C ATOM 706 O ASP A 49 15.341 0.633 1.595 1.00 0.00 O ATOM 707 CB ASP A 49 14.010 -1.930 -0.136 1.00 0.00 C ATOM 708 CG ASP A 49 15.437 -1.952 -0.686 1.00 0.00 C ATOM 709 OD1 ASP A 49 16.243 -2.738 -0.143 1.00 0.00 O ATOM 710 OD2 ASP A 49 15.690 -1.182 -1.637 1.00 0.00 O ATOM 0 H ASP A 49 11.844 -1.825 1.101 1.00 0.00 H new ATOM 0 HA ASP A 49 14.419 -1.715 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.667 -2.958 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.359 -1.461 -0.874 1.00 0.00 H new ATOM 715 N ASP A 50 13.590 0.982 0.207 1.00 0.00 N ATOM 716 CA ASP A 50 13.935 2.368 -0.060 1.00 0.00 C ATOM 717 C ASP A 50 15.323 2.429 -0.700 1.00 0.00 C ATOM 718 O ASP A 50 16.334 2.285 -0.015 1.00 0.00 O ATOM 719 CB ASP A 50 13.974 3.185 1.233 1.00 0.00 C ATOM 720 CG ASP A 50 14.820 4.457 1.168 1.00 0.00 C ATOM 721 OD1 ASP A 50 15.029 4.943 0.036 1.00 0.00 O ATOM 722 OD2 ASP A 50 15.239 4.916 2.253 1.00 0.00 O ATOM 0 H ASP A 50 12.752 0.651 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 50 13.177 2.782 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.954 3.458 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.357 2.552 2.034 1.00 0.00 H new ATOM 727 N LEU A 51 15.327 2.644 -2.008 1.00 0.00 N ATOM 728 CA LEU A 51 16.575 2.726 -2.749 1.00 0.00 C ATOM 729 C LEU A 51 17.530 3.678 -2.027 1.00 0.00 C ATOM 730 O LEU A 51 18.564 3.255 -1.513 1.00 0.00 O ATOM 731 CB LEU A 51 16.309 3.109 -4.206 1.00 0.00 C ATOM 732 CG LEU A 51 15.857 1.974 -5.126 1.00 0.00 C ATOM 733 CD1 LEU A 51 14.363 1.690 -4.954 1.00 0.00 C ATOM 734 CD2 LEU A 51 16.219 2.271 -6.582 1.00 0.00 C ATOM 0 H LEU A 51 14.486 2.764 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 51 17.062 1.751 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.547 3.889 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.219 3.544 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 51 16.392 1.069 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.068 0.879 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.164 1.403 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.792 2.586 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.886 1.448 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.730 3.192 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.299 2.384 -6.672 1.00 0.00 H new ATOM 746 N ASP A 52 17.148 4.947 -2.010 1.00 0.00 N ATOM 747 CA ASP A 52 17.958 5.963 -1.359 1.00 0.00 C ATOM 748 C ASP A 52 17.058 7.117 -0.913 1.00 0.00 C ATOM 749 O ASP A 52 16.511 7.840 -1.744 1.00 0.00 O ATOM 750 CB ASP A 52 19.009 6.527 -2.317 1.00 0.00 C ATOM 751 CG ASP A 52 20.364 5.817 -2.282 1.00 0.00 C ATOM 752 OD1 ASP A 52 20.698 5.287 -1.200 1.00 0.00 O ATOM 753 OD2 ASP A 52 21.034 5.819 -3.337 1.00 0.00 O ATOM 0 H ASP A 52 16.289 5.294 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 52 18.457 5.502 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.616 6.478 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 52 19.162 7.581 -2.085 1.00 0.00 H new ATOM 758 N ALA A 53 16.932 7.255 0.399 1.00 0.00 N ATOM 759 CA ALA A 53 16.108 8.308 0.966 1.00 0.00 C ATOM 760 C ALA A 53 16.290 8.331 2.485 1.00 0.00 C ATOM 761 O ALA A 53 16.896 7.425 3.055 1.00 0.00 O ATOM 762 CB ALA A 53 14.650 8.092 0.557 1.00 0.00 C ATOM 0 H ALA A 53 17.388 6.654 1.086 1.00 0.00 H new ATOM 0 HA ALA A 53 16.413 9.282 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.032 8.882 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.570 8.114 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.308 7.125 0.926 1.00 0.00 H new ATOM 768 N GLU A 54 15.755 9.377 3.097 1.00 0.00 N ATOM 769 CA GLU A 54 15.851 9.529 4.539 1.00 0.00 C ATOM 770 C GLU A 54 15.220 8.326 5.243 1.00 0.00 C ATOM 771 O GLU A 54 15.887 7.630 6.008 1.00 0.00 O ATOM 772 CB GLU A 54 15.199 10.836 4.997 1.00 0.00 C ATOM 773 CG GLU A 54 16.255 11.908 5.273 1.00 0.00 C ATOM 774 CD GLU A 54 15.737 13.298 4.897 1.00 0.00 C ATOM 775 OE1 GLU A 54 14.544 13.551 5.169 1.00 0.00 O ATOM 776 OE2 GLU A 54 16.546 14.075 4.346 1.00 0.00 O ATOM 0 H GLU A 54 15.254 10.127 2.621 1.00 0.00 H new ATOM 0 HA GLU A 54 16.906 9.572 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.508 11.190 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.612 10.658 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.528 11.891 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.159 11.687 4.706 1.00 0.00 H new ATOM 783 N ALA A 55 13.943 8.118 4.961 1.00 0.00 N ATOM 784 CA ALA A 55 13.215 7.011 5.557 1.00 0.00 C ATOM 785 C ALA A 55 13.409 7.038 7.075 1.00 0.00 C ATOM 786 O ALA A 55 14.415 6.548 7.584 1.00 0.00 O ATOM 787 CB ALA A 55 13.684 5.696 4.933 1.00 0.00 C ATOM 0 H ALA A 55 13.393 8.698 4.327 1.00 0.00 H new ATOM 0 HA ALA A 55 12.147 7.103 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.138 4.866 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.498 5.716 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.751 5.568 5.114 1.00 0.00 H new ATOM 793 N ALA A 56 12.429 7.615 7.754 1.00 0.00 N ATOM 794 CA ALA A 56 12.479 7.712 9.203 1.00 0.00 C ATOM 795 C ALA A 56 12.427 6.307 9.806 1.00 0.00 C ATOM 796 O ALA A 56 11.347 5.773 10.054 1.00 0.00 O ATOM 797 CB ALA A 56 11.334 8.600 9.696 1.00 0.00 C ATOM 0 H ALA A 56 11.596 8.020 7.328 1.00 0.00 H new ATOM 0 HA ALA A 56 13.412 8.175 9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.372 8.672 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.433 9.595 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.381 8.166 9.394 1.00 0.00 H new ATOM 803 N MET A 57 13.608 5.748 10.025 1.00 0.00 N ATOM 804 CA MET A 57 13.712 4.415 10.594 1.00 0.00 C ATOM 805 C MET A 57 15.155 4.099 10.991 1.00 0.00 C ATOM 806 O MET A 57 16.095 4.619 10.393 1.00 0.00 O ATOM 807 CB MET A 57 13.225 3.385 9.573 1.00 0.00 C ATOM 808 CG MET A 57 11.879 2.791 9.993 1.00 0.00 C ATOM 809 SD MET A 57 12.138 1.363 11.032 1.00 0.00 S ATOM 810 CE MET A 57 11.365 0.105 10.029 1.00 0.00 C ATOM 0 H MET A 57 14.502 6.194 9.819 1.00 0.00 H new ATOM 0 HA MET A 57 13.092 4.373 11.490 1.00 0.00 H new ATOM 0 HB2 MET A 57 13.130 3.855 8.594 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.963 2.589 9.474 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.294 3.539 10.528 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.305 2.509 9.110 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.437 -0.858 10.534 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.316 0.356 9.875 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.869 0.048 9.064 1.00 0.00 H new ATOM 820 N SER A 58 15.285 3.247 11.998 1.00 0.00 N ATOM 821 CA SER A 58 16.598 2.855 12.482 1.00 0.00 C ATOM 822 C SER A 58 16.541 1.441 13.063 1.00 0.00 C ATOM 823 O SER A 58 15.506 1.019 13.578 1.00 0.00 O ATOM 824 CB SER A 58 17.114 3.840 13.533 1.00 0.00 C ATOM 825 OG SER A 58 16.591 3.560 14.829 1.00 0.00 O ATOM 0 H SER A 58 14.503 2.817 12.492 1.00 0.00 H new ATOM 0 HA SER A 58 17.290 2.867 11.640 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.203 3.799 13.565 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.842 4.855 13.244 1.00 0.00 H new ATOM 0 HG SER A 58 16.945 4.209 15.472 1.00 0.00 H new ATOM 831 N GLY A 59 17.665 0.748 12.960 1.00 0.00 N ATOM 832 CA GLY A 59 17.756 -0.610 13.469 1.00 0.00 C ATOM 833 C GLY A 59 18.411 -1.538 12.443 1.00 0.00 C ATOM 834 O GLY A 59 17.743 -2.042 11.541 1.00 0.00 O ATOM 0 H GLY A 59 18.521 1.101 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.334 -0.618 14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.760 -0.978 13.713 1.00 0.00 H new ATOM 838 N PRO A 60 19.744 -1.740 12.619 1.00 0.00 N ATOM 839 CA PRO A 60 20.496 -2.597 11.719 1.00 0.00 C ATOM 840 C PRO A 60 20.201 -4.073 11.994 1.00 0.00 C ATOM 841 O PRO A 60 19.989 -4.851 11.064 1.00 0.00 O ATOM 842 CB PRO A 60 21.953 -2.230 11.952 1.00 0.00 C ATOM 843 CG PRO A 60 21.994 -1.519 13.295 1.00 0.00 C ATOM 844 CD PRO A 60 20.567 -1.160 13.676 1.00 0.00 C ATOM 0 HA PRO A 60 20.224 -2.451 10.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 22.583 -3.119 11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 60 22.325 -1.584 11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 60 22.442 -2.161 14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.610 -0.622 13.233 1.00 0.00 H new ATOM 0 HD2 PRO A 60 20.303 -1.568 14.652 1.00 0.00 H new ATOM 0 HD3 PRO A 60 20.433 -0.080 13.735 1.00 0.00 H new ATOM 852 N SER A 61 20.197 -4.415 13.274 1.00 0.00 N ATOM 853 CA SER A 61 19.931 -5.784 13.682 1.00 0.00 C ATOM 854 C SER A 61 20.922 -6.733 13.006 1.00 0.00 C ATOM 855 O SER A 61 20.834 -6.975 11.803 1.00 0.00 O ATOM 856 CB SER A 61 18.495 -6.190 13.347 1.00 0.00 C ATOM 857 OG SER A 61 17.862 -6.860 14.434 1.00 0.00 O ATOM 0 H SER A 61 20.374 -3.768 14.042 1.00 0.00 H new ATOM 0 HA SER A 61 20.055 -5.849 14.763 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.919 -5.303 13.084 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.497 -6.840 12.472 1.00 0.00 H new ATOM 0 HG SER A 61 16.946 -7.101 14.181 1.00 0.00 H new ATOM 863 N SER A 62 21.843 -7.246 13.809 1.00 0.00 N ATOM 864 CA SER A 62 22.850 -8.164 13.304 1.00 0.00 C ATOM 865 C SER A 62 23.804 -8.566 14.430 1.00 0.00 C ATOM 866 O SER A 62 24.073 -7.775 15.332 1.00 0.00 O ATOM 867 CB SER A 62 23.629 -7.542 12.144 1.00 0.00 C ATOM 868 OG SER A 62 23.153 -7.992 10.878 1.00 0.00 O ATOM 0 H SER A 62 21.913 -7.043 14.806 1.00 0.00 H new ATOM 0 HA SER A 62 22.345 -9.055 12.931 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.550 -6.456 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.686 -7.790 12.243 1.00 0.00 H new ATOM 0 HG SER A 62 22.199 -7.785 10.795 1.00 0.00 H new ATOM 874 N GLY A 63 24.291 -9.795 14.340 1.00 0.00 N ATOM 875 CA GLY A 63 25.210 -10.311 15.340 1.00 0.00 C ATOM 876 C GLY A 63 26.248 -11.238 14.704 1.00 0.00 C ATOM 877 O GLY A 63 26.063 -12.453 14.671 1.00 0.00 O ATOM 0 H GLY A 63 24.066 -10.448 13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.714 -9.483 15.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.654 -10.852 16.105 1.00 0.00 H new TER 881 GLY A 63