USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 MET CE :methyl 180:sc= -0.398 (180deg=-0.398) USER MOD Set 2.1: A 14 CYS SG : rot 145:sc= 0.284 USER MOD Set 2.2: A 23 CYS SG : rot -21:sc= 0.954 USER MOD Set 2.3: A 26 CYS SG : rot -179:sc= -3.1! USER MOD Set 3.1: A 9 MET CE :methyl -166:sc=-0.00985 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.47 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0292 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= 0.235 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.333 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.547 USER MOD Single : A 16 HIS : no HD1:sc= -0.0916 X(o=-0.092,f=-0.1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0437 (180deg=-0.349) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 47:sc= -1.03! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.468 -10.021 -14.711 1.00100.00 N ATOM 2 CA GLY A 1 -11.659 -11.059 -14.047 1.00100.00 C ATOM 3 C GLY A 1 -10.616 -11.571 -14.984 1.00100.00 C ATOM 4 O GLY A 1 -10.839 -11.735 -16.185 1.00100.00 O ATOM 0 H1 GLY A 1 -13.462 -10.116 -14.420 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.116 -9.081 -14.440 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.397 -10.133 -15.743 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.187 -10.648 -13.154 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.300 -11.878 -13.721 1.00100.00 H new ATOM 10 N SER A 2 -9.426 -11.800 -14.389 1.00100.00 N ATOM 11 CA SER A 2 -8.287 -12.296 -15.109 1.00100.00 C ATOM 12 C SER A 2 -7.752 -13.491 -14.388 1.00100.00 C ATOM 13 O SER A 2 -7.922 -13.629 -13.170 1.00100.00 O ATOM 14 CB SER A 2 -7.152 -11.254 -15.268 1.00100.00 C ATOM 15 OG SER A 2 -6.673 -10.874 -13.997 1.00100.00 O ATOM 0 H SER A 2 -9.252 -11.639 -13.397 1.00100.00 H new ATOM 0 HA SER A 2 -8.626 -12.545 -16.114 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.341 -11.674 -15.862 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.521 -10.380 -15.805 1.00100.00 H new ATOM 0 HG SER A 2 -5.854 -10.346 -14.101 1.00100.00 H new ATOM 21 N THR A 3 -7.102 -14.397 -15.152 1.00100.00 N ATOM 22 CA THR A 3 -6.532 -15.589 -14.594 1.00100.00 C ATOM 23 C THR A 3 -5.176 -15.196 -14.081 1.00100.00 C ATOM 24 O THR A 3 -4.148 -15.322 -14.746 1.00100.00 O ATOM 25 CB THR A 3 -6.464 -16.738 -15.577 1.00100.00 C ATOM 26 OG1 THR A 3 -7.759 -17.010 -16.066 1.00100.00 O ATOM 27 CG2 THR A 3 -5.915 -17.989 -14.892 1.00100.00 C ATOM 0 H THR A 3 -6.972 -14.301 -16.159 1.00100.00 H new ATOM 0 HA THR A 3 -7.164 -15.972 -13.793 1.00100.00 H new ATOM 0 HB THR A 3 -5.803 -16.462 -16.399 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.718 -17.753 -16.704 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.871 -18.808 -15.610 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.914 -17.786 -14.512 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.568 -18.267 -14.064 1.00100.00 H new ATOM 35 N ALA A 4 -5.202 -14.645 -12.856 1.00100.00 N ATOM 36 CA ALA A 4 -4.043 -14.202 -12.151 1.00100.00 C ATOM 37 C ALA A 4 -3.937 -15.138 -10.999 1.00100.00 C ATOM 38 O ALA A 4 -4.947 -15.545 -10.412 1.00100.00 O ATOM 39 CB ALA A 4 -4.175 -12.773 -11.586 1.00100.00 C ATOM 0 H ALA A 4 -6.068 -14.502 -12.335 1.00100.00 H new ATOM 0 HA ALA A 4 -3.184 -14.189 -12.822 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.258 -12.502 -11.063 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.347 -12.073 -12.404 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.014 -12.732 -10.892 1.00100.00 H new ATOM 45 N MET A 5 -2.680 -15.506 -10.667 1.00100.00 N ATOM 46 CA MET A 5 -2.424 -16.409 -9.583 1.00100.00 C ATOM 47 C MET A 5 -2.883 -15.821 -8.280 1.00100.00 C ATOM 48 O MET A 5 -2.830 -14.603 -8.081 1.00100.00 O ATOM 49 CB MET A 5 -0.936 -16.829 -9.468 1.00100.00 C ATOM 50 CG MET A 5 -0.054 -15.702 -8.923 1.00100.00 C ATOM 51 SD MET A 5 -0.002 -14.198 -9.931 1.00100.00 S ATOM 52 CE MET A 5 1.098 -13.202 -8.891 1.00100.00 C ATOM 0 H MET A 5 -1.843 -15.178 -11.150 1.00100.00 H new ATOM 0 HA MET A 5 -2.995 -17.310 -9.806 1.00100.00 H new ATOM 0 HB2 MET A 5 -0.856 -17.698 -8.815 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.570 -17.132 -10.449 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.406 -15.438 -7.926 1.00100.00 H new ATOM 0 HG3 MET A 5 0.962 -16.080 -8.813 1.00100.00 H new ATOM 0 HE1 MET A 5 1.251 -12.227 -9.353 1.00100.00 H new ATOM 0 HE2 MET A 5 0.648 -13.071 -7.907 1.00100.00 H new ATOM 0 HE3 MET A 5 2.057 -13.709 -8.787 1.00100.00 H new ATOM 62 N ALA A 6 -3.684 -16.654 -7.575 1.00100.00 N ATOM 63 CA ALA A 6 -4.296 -16.374 -6.301 1.00100.00 C ATOM 64 C ALA A 6 -5.201 -15.160 -6.339 1.00100.00 C ATOM 65 O ALA A 6 -5.394 -14.482 -5.327 1.00100.00 O ATOM 66 CB ALA A 6 -3.259 -16.259 -5.155 1.00100.00 C ATOM 0 H ALA A 6 -3.919 -17.585 -7.919 1.00100.00 H new ATOM 0 HA ALA A 6 -4.925 -17.238 -6.086 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.774 -16.047 -4.218 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.711 -17.197 -5.064 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.561 -15.451 -5.376 1.00100.00 H new ATOM 72 N THR A 7 -5.789 -14.887 -7.537 1.00100.00 N ATOM 73 CA THR A 7 -6.693 -13.799 -7.830 1.00100.00 C ATOM 74 C THR A 7 -6.152 -12.447 -7.404 1.00100.00 C ATOM 75 O THR A 7 -6.862 -11.623 -6.823 1.00100.00 O ATOM 76 CB THR A 7 -8.118 -14.057 -7.370 1.00100.00 C ATOM 77 OG1 THR A 7 -8.161 -14.172 -5.965 1.00100.00 O ATOM 78 CG2 THR A 7 -8.652 -15.342 -8.002 1.00100.00 C ATOM 0 H THR A 7 -5.618 -15.471 -8.356 1.00100.00 H new ATOM 0 HA THR A 7 -6.755 -13.755 -8.917 1.00100.00 H new ATOM 0 HB THR A 7 -8.740 -13.218 -7.682 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.251 -14.127 -5.605 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.674 -15.516 -7.665 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.640 -15.246 -9.088 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.024 -16.182 -7.705 1.00100.00 H new ATOM 86 N THR A 8 -4.846 -12.210 -7.688 1.00100.00 N ATOM 87 CA THR A 8 -4.168 -10.977 -7.351 1.00100.00 C ATOM 88 C THR A 8 -4.660 -9.907 -8.293 1.00100.00 C ATOM 89 O THR A 8 -4.848 -10.151 -9.488 1.00100.00 O ATOM 90 CB THR A 8 -2.658 -11.128 -7.414 1.00100.00 C ATOM 91 OG1 THR A 8 -2.263 -12.149 -6.523 1.00100.00 O ATOM 92 CG2 THR A 8 -1.958 -9.827 -7.025 1.00100.00 C ATOM 0 H THR A 8 -4.248 -12.888 -8.161 1.00100.00 H new ATOM 0 HA THR A 8 -4.396 -10.700 -6.322 1.00100.00 H new ATOM 0 HB THR A 8 -2.376 -11.379 -8.436 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.411 -13.023 -6.941 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.878 -9.965 -7.079 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.257 -9.034 -7.710 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.238 -9.553 -6.008 1.00100.00 H new ATOM 100 N MET A 9 -4.899 -8.691 -7.741 1.00100.00 N ATOM 101 CA MET A 9 -5.384 -7.585 -8.521 1.00100.00 C ATOM 102 C MET A 9 -4.208 -7.034 -9.280 1.00100.00 C ATOM 103 O MET A 9 -3.097 -6.925 -8.760 1.00100.00 O ATOM 104 CB MET A 9 -6.022 -6.465 -7.676 1.00100.00 C ATOM 105 CG MET A 9 -6.869 -5.578 -8.587 1.00100.00 C ATOM 106 SD MET A 9 -8.303 -6.446 -9.279 1.00100.00 S ATOM 107 CE MET A 9 -8.936 -5.156 -10.379 1.00100.00 C ATOM 0 H MET A 9 -4.755 -8.477 -6.754 1.00100.00 H new ATOM 0 HA MET A 9 -6.174 -7.948 -9.178 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.640 -6.894 -6.887 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.247 -5.873 -7.188 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.212 -4.710 -8.024 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.249 -5.204 -9.402 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.946 -5.414 -10.699 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.955 -4.203 -9.850 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.289 -5.073 -11.252 1.00100.00 H new ATOM 117 N GLU A 10 -4.421 -6.861 -10.597 1.00100.00 N ATOM 118 CA GLU A 10 -3.432 -6.394 -11.529 1.00100.00 C ATOM 119 C GLU A 10 -2.885 -5.018 -11.326 1.00100.00 C ATOM 120 O GLU A 10 -1.668 -4.851 -11.446 1.00100.00 O ATOM 121 CB GLU A 10 -3.912 -6.495 -12.984 1.00100.00 C ATOM 122 CG GLU A 10 -4.315 -7.931 -13.316 1.00100.00 C ATOM 123 CD GLU A 10 -4.745 -8.072 -14.772 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.259 -7.071 -15.318 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.555 -9.182 -15.312 1.00100.00 O ATOM 0 H GLU A 10 -5.322 -7.054 -11.035 1.00100.00 H new ATOM 0 HA GLU A 10 -2.611 -7.079 -11.318 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.760 -5.828 -13.141 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.120 -6.168 -13.658 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.477 -8.600 -13.117 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.132 -8.240 -12.663 1.00100.00 H new ATOM 132 N GLN A 11 -3.738 -4.015 -10.990 1.00100.00 N ATOM 133 CA GLN A 11 -3.228 -2.669 -10.839 1.00100.00 C ATOM 134 C GLN A 11 -2.384 -2.487 -9.616 1.00100.00 C ATOM 135 O GLN A 11 -2.478 -3.226 -8.631 1.00100.00 O ATOM 136 CB GLN A 11 -4.236 -1.486 -10.876 1.00100.00 C ATOM 137 CG GLN A 11 -5.301 -1.622 -9.790 1.00100.00 C ATOM 138 CD GLN A 11 -6.572 -2.270 -10.318 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.515 -3.236 -11.075 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.726 -1.734 -9.914 1.00100.00 N ATOM 0 H GLN A 11 -4.739 -4.126 -10.829 1.00100.00 H new ATOM 0 HA GLN A 11 -2.645 -2.606 -11.758 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.700 -0.546 -10.745 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.716 -1.446 -11.854 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.906 -2.217 -8.967 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.536 -0.637 -9.387 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.723 -0.932 -9.284 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.611 -2.127 -10.235 1.00100.00 H new ATOM 149 N GLU A 12 -1.527 -1.447 -9.692 1.00100.00 N ATOM 150 CA GLU A 12 -0.611 -1.095 -8.651 1.00100.00 C ATOM 151 C GLU A 12 -1.335 -0.284 -7.603 1.00100.00 C ATOM 152 O GLU A 12 -1.386 0.945 -7.631 1.00100.00 O ATOM 153 CB GLU A 12 0.626 -0.355 -9.210 1.00100.00 C ATOM 154 CG GLU A 12 1.315 -1.118 -10.339 1.00100.00 C ATOM 155 CD GLU A 12 2.651 -0.479 -10.698 1.00100.00 C ATOM 156 OE1 GLU A 12 2.758 0.758 -10.544 1.00100.00 O ATOM 157 OE2 GLU A 12 3.547 -1.241 -11.119 1.00100.00 O1- ATOM 0 H GLU A 12 -1.472 -0.833 -10.505 1.00100.00 H new ATOM 0 HA GLU A 12 -0.233 -2.005 -8.184 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.322 0.626 -9.574 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.339 -0.189 -8.403 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.473 -2.154 -10.039 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.669 -1.136 -11.217 1.00100.00 H new ATOM 164 N ILE A 13 -1.938 -1.030 -6.647 1.00100.00 N ATOM 165 CA ILE A 13 -2.721 -0.503 -5.557 1.00100.00 C ATOM 166 C ILE A 13 -2.028 -0.031 -4.306 1.00100.00 C ATOM 167 O ILE A 13 -2.688 0.611 -3.484 1.00100.00 O ATOM 168 CB ILE A 13 -3.891 -1.399 -5.148 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.468 -2.799 -4.687 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.815 -1.575 -6.348 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.796 -2.788 -3.316 1.00100.00 C ATOM 0 H ILE A 13 -1.877 -2.048 -6.633 1.00100.00 H new ATOM 0 HA ILE A 13 -3.062 0.409 -6.046 1.00100.00 H new ATOM 0 HB ILE A 13 -4.376 -0.905 -4.306 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.344 -3.446 -4.653 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.784 -3.227 -5.419 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.655 -2.212 -6.070 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.188 -0.601 -6.666 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.264 -2.037 -7.167 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.517 -3.805 -3.039 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.903 -2.164 -3.354 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.488 -2.387 -2.575 1.00100.00 H new ATOM 183 N CYS A 14 -0.712 -0.307 -4.118 1.00100.00 N ATOM 184 CA CYS A 14 -0.001 0.119 -2.925 1.00100.00 C ATOM 185 C CYS A 14 0.033 1.618 -2.880 1.00100.00 C ATOM 186 O CYS A 14 0.076 2.296 -3.910 1.00100.00 O ATOM 187 CB CYS A 14 1.425 -0.450 -2.740 1.00100.00 C ATOM 188 SG CYS A 14 2.089 -0.033 -1.107 1.00100.00 S ATOM 0 H CYS A 14 -0.139 -0.822 -4.786 1.00100.00 H new ATOM 0 HA CYS A 14 -0.566 -0.300 -2.092 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.406 -1.533 -2.862 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.081 -0.053 -3.515 1.00100.00 H new ATOM 0 HG CYS A 14 2.830 -1.011 -0.677 1.00100.00 H new ATOM 193 N ALA A 15 0.004 2.147 -1.636 1.00100.00 N ATOM 194 CA ALA A 15 -0.038 3.554 -1.331 1.00100.00 C ATOM 195 C ALA A 15 1.137 4.308 -1.870 1.00100.00 C ATOM 196 O ALA A 15 0.957 5.404 -2.406 1.00100.00 O ATOM 197 CB ALA A 15 -0.086 3.808 0.184 1.00100.00 C ATOM 0 H ALA A 15 0.010 1.564 -0.799 1.00100.00 H new ATOM 0 HA ALA A 15 -0.948 3.912 -1.812 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.117 4.881 0.372 1.00100.00 H new ATOM 0 HB2 ALA A 15 -0.977 3.340 0.603 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.802 3.383 0.653 1.00100.00 H new ATOM 203 N HIS A 16 2.351 3.726 -1.750 1.00100.00 N ATOM 204 CA HIS A 16 3.561 4.337 -2.231 1.00100.00 C ATOM 205 C HIS A 16 3.566 4.530 -3.724 1.00100.00 C ATOM 206 O HIS A 16 4.004 5.599 -4.153 1.00100.00 O ATOM 207 CB HIS A 16 4.820 3.573 -1.825 1.00100.00 C ATOM 208 CG HIS A 16 5.101 3.610 -0.351 1.00100.00 C ATOM 209 ND1 HIS A 16 4.383 2.968 0.631 1.00100.00 N ATOM 210 CD2 HIS A 16 6.137 4.273 0.250 1.00100.00 C ATOM 211 CE1 HIS A 16 4.982 3.248 1.804 1.00100.00 C ATOM 212 NE2 HIS A 16 6.053 4.038 1.624 1.00100.00 N ATOM 0 H HIS A 16 2.495 2.816 -1.312 1.00100.00 H new ATOM 0 HA HIS A 16 3.578 5.315 -1.750 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.721 2.534 -2.141 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.674 3.989 -2.359 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.885 4.871 -0.249 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.645 2.885 2.764 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.679 4.395 2.346 1.00100.00 H new ATOM 219 N SER A 17 3.086 3.507 -4.510 1.00100.00 N ATOM 220 CA SER A 17 3.020 3.542 -5.967 1.00100.00 C ATOM 221 C SER A 17 2.820 2.183 -6.585 1.00100.00 C ATOM 222 O SER A 17 1.938 2.016 -7.424 1.00100.00 O ATOM 223 CB SER A 17 4.277 4.099 -6.700 1.00100.00 C ATOM 224 OG SER A 17 5.435 3.398 -6.300 1.00100.00 O ATOM 0 H SER A 17 2.735 2.634 -4.116 1.00100.00 H new ATOM 0 HA SER A 17 2.172 4.213 -6.106 1.00100.00 H new ATOM 0 HB2 SER A 17 4.145 4.010 -7.778 1.00100.00 H new ATOM 0 HB3 SER A 17 4.393 5.160 -6.480 1.00100.00 H new ATOM 0 HG SER A 17 6.215 3.759 -6.771 1.00100.00 H new ATOM 230 N MET A 18 3.618 1.181 -6.147 1.00100.00 N ATOM 231 CA MET A 18 3.608 -0.161 -6.689 1.00100.00 C ATOM 232 C MET A 18 2.521 -1.072 -6.192 1.00100.00 C ATOM 233 O MET A 18 1.465 -0.577 -5.818 1.00100.00 O ATOM 234 CB MET A 18 4.991 -0.825 -6.570 1.00100.00 C ATOM 235 CG MET A 18 6.107 0.047 -7.133 1.00100.00 C ATOM 236 SD MET A 18 7.703 -0.806 -7.157 1.00100.00 S ATOM 237 CE MET A 18 8.710 0.490 -7.914 1.00100.00 C ATOM 0 H MET A 18 4.293 1.305 -5.392 1.00100.00 H new ATOM 0 HA MET A 18 3.363 -0.012 -7.741 1.00100.00 H new ATOM 0 HB2 MET A 18 5.197 -1.042 -5.522 1.00100.00 H new ATOM 0 HB3 MET A 18 4.979 -1.779 -7.097 1.00100.00 H new ATOM 0 HG2 MET A 18 5.848 0.355 -8.146 1.00100.00 H new ATOM 0 HG3 MET A 18 6.192 0.955 -6.535 1.00100.00 H new ATOM 0 HE1 MET A 18 9.738 0.142 -8.011 1.00100.00 H new ATOM 0 HE2 MET A 18 8.313 0.729 -8.901 1.00100.00 H new ATOM 0 HE3 MET A 18 8.686 1.382 -7.288 1.00100.00 H new ATOM 247 N THR A 19 2.534 -2.336 -6.695 1.00100.00 N ATOM 248 CA THR A 19 1.580 -3.382 -6.383 1.00100.00 C ATOM 249 C THR A 19 1.826 -3.881 -4.965 1.00100.00 C ATOM 250 O THR A 19 2.864 -3.600 -4.365 1.00100.00 O ATOM 251 CB THR A 19 1.701 -4.520 -7.410 1.00100.00 C ATOM 252 OG1 THR A 19 1.501 -4.004 -8.703 1.00100.00 O ATOM 253 CG2 THR A 19 0.663 -5.621 -7.185 1.00100.00 C ATOM 0 H THR A 19 3.248 -2.645 -7.355 1.00100.00 H new ATOM 0 HA THR A 19 0.564 -2.991 -6.437 1.00100.00 H new ATOM 0 HB THR A 19 2.697 -4.949 -7.294 1.00100.00 H new ATOM 0 HG1 THR A 19 1.579 -4.727 -9.360 1.00100.00 H new ATOM 0 HG21 THR A 19 0.791 -6.401 -7.936 1.00100.00 H new ATOM 0 HG22 THR A 19 0.796 -6.049 -6.191 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.339 -5.199 -7.267 1.00100.00 H new ATOM 261 N PHE A 20 0.845 -4.624 -4.394 1.00100.00 N ATOM 262 CA PHE A 20 0.867 -5.221 -3.079 1.00100.00 C ATOM 263 C PHE A 20 2.039 -6.183 -3.019 1.00100.00 C ATOM 264 O PHE A 20 2.768 -6.226 -2.028 1.00100.00 O ATOM 265 CB PHE A 20 -0.475 -5.974 -2.894 1.00100.00 C ATOM 266 CG PHE A 20 -0.574 -6.671 -1.559 1.00100.00 C ATOM 267 CD1 PHE A 20 -0.987 -5.957 -0.426 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.233 -8.026 -1.448 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.065 -6.600 0.815 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.310 -8.669 -0.207 1.00100.00 C ATOM 271 CZ PHE A 20 -0.726 -7.956 0.926 1.00100.00 C ATOM 0 H PHE A 20 -0.026 -4.821 -4.888 1.00100.00 H new ATOM 0 HA PHE A 20 0.981 -4.479 -2.289 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.299 -5.268 -2.992 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.588 -6.708 -3.692 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.245 -4.912 -0.510 1.00100.00 H new ATOM 0 HD2 PHE A 20 0.089 -8.574 -2.321 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.387 -6.051 1.688 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.049 -9.714 -0.122 1.00100.00 H new ATOM 0 HZ PHE A 20 -0.785 -8.451 1.884 1.00100.00 H new ATOM 281 N GLU A 21 2.236 -6.969 -4.097 1.00100.00 N ATOM 282 CA GLU A 21 3.305 -7.919 -4.267 1.00100.00 C ATOM 283 C GLU A 21 4.645 -7.206 -4.304 1.00100.00 C ATOM 284 O GLU A 21 5.625 -7.673 -3.728 1.00100.00 O ATOM 285 CB GLU A 21 3.068 -8.708 -5.567 1.00100.00 C ATOM 286 CG GLU A 21 4.086 -9.835 -5.725 1.00100.00 C ATOM 287 CD GLU A 21 3.763 -10.718 -6.927 1.00100.00 C ATOM 288 OE1 GLU A 21 2.794 -10.390 -7.645 1.00100.00 O ATOM 289 OE2 GLU A 21 4.496 -11.716 -7.105 1.00100.00 O1- ATOM 0 H GLU A 21 1.610 -6.941 -4.902 1.00100.00 H new ATOM 0 HA GLU A 21 3.320 -8.611 -3.425 1.00100.00 H new ATOM 0 HB2 GLU A 21 2.060 -9.123 -5.564 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.133 -8.034 -6.421 1.00100.00 H new ATOM 0 HG2 GLU A 21 5.084 -9.412 -5.841 1.00100.00 H new ATOM 0 HG3 GLU A 21 4.101 -10.442 -4.820 1.00100.00 H new ATOM 296 N GLU A 22 4.680 -6.025 -4.965 1.00100.00 N ATOM 297 CA GLU A 22 5.836 -5.179 -5.155 1.00100.00 C ATOM 298 C GLU A 22 5.983 -4.154 -4.054 1.00100.00 C ATOM 299 O GLU A 22 6.810 -3.242 -4.160 1.00100.00 O ATOM 300 CB GLU A 22 5.775 -4.449 -6.512 1.00100.00 C ATOM 301 CG GLU A 22 5.731 -5.434 -7.677 1.00100.00 C ATOM 302 CD GLU A 22 7.020 -6.240 -7.759 1.00100.00 C ATOM 303 OE1 GLU A 22 8.050 -5.622 -8.102 1.00100.00 O ATOM 304 OE2 GLU A 22 6.954 -7.456 -7.480 1.00100.00 O1- ATOM 0 H GLU A 22 3.843 -5.633 -5.397 1.00100.00 H new ATOM 0 HA GLU A 22 6.703 -5.840 -5.132 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.893 -3.809 -6.542 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.644 -3.800 -6.616 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.883 -6.108 -7.556 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.577 -4.892 -8.610 1.00100.00 H new ATOM 311 N CYS A 23 5.217 -4.306 -2.946 1.00100.00 N ATOM 312 CA CYS A 23 5.231 -3.411 -1.817 1.00100.00 C ATOM 313 C CYS A 23 6.593 -3.285 -1.169 1.00100.00 C ATOM 314 O CYS A 23 6.918 -2.149 -0.845 1.00100.00 O ATOM 315 CB CYS A 23 4.188 -3.759 -0.732 1.00100.00 C ATOM 316 SG CYS A 23 4.180 -2.467 0.537 1.00100.00 S ATOM 0 H CYS A 23 4.564 -5.081 -2.833 1.00100.00 H new ATOM 0 HA CYS A 23 4.960 -2.450 -2.254 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.198 -3.849 -1.180 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.424 -4.724 -0.282 1.00100.00 H new ATOM 0 HG CYS A 23 5.300 -1.808 0.492 1.00100.00 H new ATOM 322 N PRO A 24 7.446 -4.347 -0.950 1.00100.00 N ATOM 323 CA PRO A 24 8.755 -4.142 -0.368 1.00100.00 C ATOM 324 C PRO A 24 9.615 -3.209 -1.194 1.00100.00 C ATOM 325 O PRO A 24 10.400 -2.473 -0.596 1.00100.00 O ATOM 326 CB PRO A 24 9.350 -5.536 -0.138 1.00100.00 C ATOM 327 CG PRO A 24 8.623 -6.380 -1.187 1.00100.00 C ATOM 328 CD PRO A 24 7.236 -5.743 -1.275 1.00100.00 C ATOM 0 HA PRO A 24 8.693 -3.621 0.588 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.430 -5.546 -0.285 1.00100.00 H new ATOM 0 HB3 PRO A 24 9.163 -5.896 0.874 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.137 -6.353 -2.148 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.564 -7.426 -0.887 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.811 -5.857 -2.272 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.541 -6.211 -0.577 1.00100.00 H new ATOM 336 N LYS A 25 9.477 -3.230 -2.545 1.00100.00 N ATOM 337 CA LYS A 25 10.208 -2.371 -3.448 1.00100.00 C ATOM 338 C LYS A 25 9.807 -0.929 -3.323 1.00100.00 C ATOM 339 O LYS A 25 10.599 -0.049 -3.658 1.00100.00 O ATOM 340 CB LYS A 25 10.133 -2.767 -4.932 1.00100.00 C ATOM 341 CG LYS A 25 10.657 -4.190 -5.123 1.00100.00 C ATOM 342 CD LYS A 25 10.755 -4.520 -6.612 1.00100.00 C ATOM 343 CE LYS A 25 11.807 -3.652 -7.303 1.00100.00 C ATOM 344 NZ LYS A 25 13.144 -3.865 -6.725 1.00100.00 N1+ ATOM 0 H LYS A 25 8.837 -3.864 -3.023 1.00100.00 H new ATOM 0 HA LYS A 25 11.240 -2.507 -3.125 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.103 -2.700 -5.283 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.720 -2.071 -5.532 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.636 -4.291 -4.655 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.993 -4.899 -4.629 1.00100.00 H new ATOM 0 HD2 LYS A 25 11.009 -5.573 -6.738 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.785 -4.367 -7.086 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.829 -3.883 -8.368 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.532 -2.601 -7.210 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.867 -3.500 -7.378 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.213 -3.364 -5.816 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.298 -4.882 -6.572 1.00100.00 H new ATOM 358 N CYS A 26 8.573 -0.663 -2.821 1.00100.00 N ATOM 359 CA CYS A 26 8.028 0.658 -2.617 1.00100.00 C ATOM 360 C CYS A 26 8.876 1.430 -1.640 1.00100.00 C ATOM 361 O CYS A 26 9.036 2.644 -1.790 1.00100.00 O ATOM 362 CB CYS A 26 6.589 0.629 -2.094 1.00100.00 C ATOM 363 SG CYS A 26 5.431 0.013 -3.333 1.00100.00 S ATOM 0 H CYS A 26 7.928 -1.403 -2.546 1.00100.00 H new ATOM 0 HA CYS A 26 8.027 1.143 -3.593 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.539 -0.001 -1.206 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.294 1.633 -1.789 1.00100.00 H new ATOM 0 HG CYS A 26 4.226 0.027 -2.846 1.00100.00 H new ATOM 369 N SER A 27 9.428 0.731 -0.615 1.00100.00 N ATOM 370 CA SER A 27 10.281 1.292 0.407 1.00100.00 C ATOM 371 C SER A 27 11.522 1.878 -0.204 1.00100.00 C ATOM 372 O SER A 27 12.001 2.908 0.275 1.00100.00 O ATOM 373 CB SER A 27 10.706 0.252 1.449 1.00100.00 C ATOM 374 OG SER A 27 9.563 -0.292 2.069 1.00100.00 O ATOM 0 H SER A 27 9.272 -0.270 -0.494 1.00100.00 H new ATOM 0 HA SER A 27 9.695 2.066 0.903 1.00100.00 H new ATOM 0 HB2 SER A 27 11.285 -0.539 0.972 1.00100.00 H new ATOM 0 HB3 SER A 27 11.352 0.714 2.196 1.00100.00 H new ATOM 0 HG SER A 27 9.837 -0.958 2.734 1.00100.00 H new ATOM 380 N ALA A 28 12.080 1.207 -1.247 1.00100.00 N ATOM 381 CA ALA A 28 13.243 1.674 -1.958 1.00100.00 C ATOM 382 C ALA A 28 12.831 2.920 -2.692 1.00100.00 C ATOM 383 O ALA A 28 11.737 2.995 -3.256 1.00100.00 O ATOM 384 CB ALA A 28 13.787 0.665 -2.980 1.00100.00 C ATOM 0 H ALA A 28 11.713 0.323 -1.600 1.00100.00 H new ATOM 0 HA ALA A 28 14.040 1.841 -1.234 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.662 1.085 -3.476 1.00100.00 H new ATOM 0 HB2 ALA A 28 14.067 -0.256 -2.468 1.00100.00 H new ATOM 0 HB3 ALA A 28 13.018 0.448 -3.722 1.00100.00 H new ATOM 390 N LEU A 29 13.715 3.926 -2.692 1.00100.00 N ATOM 391 CA LEU A 29 13.468 5.196 -3.311 1.00100.00 C ATOM 392 C LEU A 29 13.985 5.318 -4.714 1.00100.00 C ATOM 393 O LEU A 29 13.984 6.422 -5.266 1.00100.00 O ATOM 394 CB LEU A 29 14.052 6.354 -2.481 1.00100.00 C ATOM 395 CG LEU A 29 13.007 6.935 -1.526 1.00100.00 C ATOM 396 CD1 LEU A 29 12.608 5.934 -0.445 1.00100.00 C ATOM 397 CD2 LEU A 29 13.560 8.203 -0.876 1.00100.00 C ATOM 0 H LEU A 29 14.632 3.860 -2.249 1.00100.00 H new ATOM 0 HA LEU A 29 12.381 5.259 -3.354 1.00100.00 H new ATOM 0 HB2 LEU A 29 14.911 5.999 -1.911 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.413 7.137 -3.148 1.00100.00 H new ATOM 0 HG LEU A 29 12.115 7.170 -2.106 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.865 6.385 0.212 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.187 5.043 -0.911 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.487 5.658 0.137 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.816 8.617 -0.196 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.466 7.961 -0.320 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.793 8.936 -1.648 1.00100.00 H new ATOM 409 N GLN A 30 14.407 4.194 -5.335 1.00100.00 N ATOM 410 CA GLN A 30 14.945 4.184 -6.671 1.00100.00 C ATOM 411 C GLN A 30 13.953 4.660 -7.690 1.00100.00 C ATOM 412 O GLN A 30 14.335 5.382 -8.611 1.00100.00 O ATOM 413 CB GLN A 30 15.542 2.829 -7.079 1.00100.00 C ATOM 414 CG GLN A 30 16.688 2.452 -6.143 1.00100.00 C ATOM 415 CD GLN A 30 17.308 1.124 -6.557 1.00100.00 C ATOM 416 OE1 GLN A 30 16.643 0.090 -6.519 1.00100.00 O ATOM 417 NE2 GLN A 30 18.582 1.150 -6.953 1.00100.00 N ATOM 0 H GLN A 30 14.374 3.272 -4.901 1.00100.00 H new ATOM 0 HA GLN A 30 15.770 4.896 -6.649 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.770 2.060 -7.048 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.903 2.877 -8.106 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.448 3.234 -6.157 1.00100.00 H new ATOM 0 HG3 GLN A 30 16.320 2.384 -5.119 1.00100.00 H new ATOM 0 HE21 GLN A 30 19.094 2.032 -6.968 1.00100.00 H new ATOM 0 HE22 GLN A 30 19.044 0.288 -7.241 1.00100.00 H new ATOM 426 N TYR A 31 12.664 4.275 -7.537 1.00100.00 N ATOM 427 CA TYR A 31 11.599 4.680 -8.421 1.00100.00 C ATOM 428 C TYR A 31 11.421 6.178 -8.392 1.00100.00 C ATOM 429 O TYR A 31 11.254 6.778 -9.451 1.00100.00 O ATOM 430 CB TYR A 31 10.249 3.978 -8.073 1.00100.00 C ATOM 431 CG TYR A 31 9.079 4.516 -8.863 1.00100.00 C ATOM 432 CD1 TYR A 31 8.947 4.200 -10.221 1.00100.00 C ATOM 433 CD2 TYR A 31 8.137 5.347 -8.238 1.00100.00 C ATOM 434 CE1 TYR A 31 7.872 4.711 -10.961 1.00100.00 C ATOM 435 CE2 TYR A 31 7.057 5.859 -8.968 1.00100.00 C ATOM 436 CZ TYR A 31 6.921 5.544 -10.335 1.00100.00 C ATOM 437 OH TYR A 31 5.870 6.041 -11.049 1.00100.00 O ATOM 0 H TYR A 31 12.354 3.667 -6.780 1.00100.00 H new ATOM 0 HA TYR A 31 11.886 4.372 -9.426 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.344 2.908 -8.260 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.047 4.099 -7.009 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.675 3.561 -10.699 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.245 5.592 -7.192 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.772 4.468 -12.008 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.330 6.494 -8.484 1.00100.00 H new ATOM 0 HH TYR A 31 5.310 6.595 -10.465 1.00100.00 H new ATOM 447 N ARG A 32 11.477 6.792 -7.185 1.00100.00 N ATOM 448 CA ARG A 32 11.303 8.211 -6.989 1.00100.00 C ATOM 449 C ARG A 32 12.372 8.997 -7.689 1.00100.00 C ATOM 450 O ARG A 32 12.087 10.047 -8.266 1.00100.00 O ATOM 451 CB ARG A 32 11.285 8.623 -5.511 1.00100.00 C ATOM 452 CG ARG A 32 10.083 7.991 -4.813 1.00100.00 C ATOM 453 CD ARG A 32 9.918 8.604 -3.426 1.00100.00 C ATOM 454 NE ARG A 32 8.851 7.930 -2.685 1.00100.00 N ATOM 455 CZ ARG A 32 8.415 8.332 -1.484 1.00100.00 C ATOM 456 NH1 ARG A 32 8.937 9.422 -0.904 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.457 7.637 -0.859 1.00100.00 N ATOM 0 H ARG A 32 11.649 6.285 -6.317 1.00100.00 H new ATOM 0 HA ARG A 32 10.327 8.438 -7.418 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.208 8.307 -5.024 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.237 9.709 -5.427 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.181 8.152 -5.403 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.222 6.913 -4.731 1.00100.00 H new ATOM 0 HD2 ARG A 32 10.855 8.526 -2.875 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.689 9.666 -3.517 1.00100.00 H new ATOM 0 HE ARG A 32 8.416 7.109 -3.106 1.00100.00 H new ATOM 0 HH11 ARG A 32 9.670 9.950 -1.377 1.00100.00 H new ATOM 0 HH12 ARG A 32 8.601 9.723 0.011 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.062 6.805 -1.297 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.122 7.939 0.056 1.00100.00 H new ATOM 471 N ASN A 33 13.629 8.496 -7.651 1.00100.00 N ATOM 472 CA ASN A 33 14.747 9.132 -8.306 1.00100.00 C ATOM 473 C ASN A 33 14.572 9.003 -9.799 1.00100.00 C ATOM 474 O ASN A 33 13.961 8.052 -10.293 1.00100.00 O ATOM 475 CB ASN A 33 16.111 8.498 -7.955 1.00100.00 C ATOM 476 CG ASN A 33 16.403 8.625 -6.464 1.00100.00 C ATOM 477 OD1 ASN A 33 15.985 9.589 -5.824 1.00100.00 O ATOM 478 ND2 ASN A 33 17.121 7.647 -5.908 1.00100.00 N ATOM 0 H ASN A 33 13.875 7.637 -7.159 1.00100.00 H new ATOM 0 HA ASN A 33 14.755 10.167 -7.965 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.112 7.446 -8.241 1.00100.00 H new ATOM 0 HB3 ASN A 33 16.901 8.985 -8.527 1.00100.00 H new ATOM 0 HD21 ASN A 33 17.344 7.680 -4.913 1.00100.00 H new ATOM 0 HD22 ASN A 33 17.447 6.866 -6.478 1.00100.00 H new ATOM 485 N GLY A 34 15.134 9.973 -10.551 1.00100.00 N ATOM 486 CA GLY A 34 15.031 9.995 -11.988 1.00100.00 C ATOM 487 C GLY A 34 13.877 10.833 -12.463 1.00100.00 C ATOM 488 O GLY A 34 13.633 10.894 -13.669 1.00100.00 O ATOM 0 H GLY A 34 15.666 10.751 -10.161 1.00100.00 H new ATOM 0 HA2 GLY A 34 15.958 10.383 -12.411 1.00100.00 H new ATOM 0 HA3 GLY A 34 14.914 8.976 -12.358 1.00100.00 H new ATOM 492 N PHE A 35 13.136 11.479 -11.530 1.00100.00 N ATOM 493 CA PHE A 35 12.044 12.356 -11.856 1.00100.00 C ATOM 494 C PHE A 35 12.558 13.758 -11.798 1.00100.00 C ATOM 495 O PHE A 35 13.333 14.123 -10.910 1.00100.00 O ATOM 496 CB PHE A 35 10.761 12.239 -11.002 1.00100.00 C ATOM 497 CG PHE A 35 9.893 11.058 -11.378 1.00100.00 C ATOM 498 CD1 PHE A 35 10.117 9.791 -10.819 1.00100.00 C ATOM 499 CD2 PHE A 35 8.846 11.236 -12.294 1.00100.00 C ATOM 500 CE1 PHE A 35 9.286 8.714 -11.156 1.00100.00 C ATOM 501 CE2 PHE A 35 8.022 10.157 -12.641 1.00100.00 C ATOM 502 CZ PHE A 35 8.238 8.896 -12.068 1.00100.00 C ATOM 0 H PHE A 35 13.301 11.388 -10.528 1.00100.00 H new ATOM 0 HA PHE A 35 11.713 12.050 -12.848 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.039 12.156 -9.951 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.180 13.155 -11.106 1.00100.00 H new ATOM 0 HD1 PHE A 35 10.933 9.645 -10.126 1.00100.00 H new ATOM 0 HD2 PHE A 35 8.674 12.208 -12.733 1.00100.00 H new ATOM 0 HE1 PHE A 35 9.453 7.744 -10.713 1.00100.00 H new ATOM 0 HE2 PHE A 35 7.220 10.297 -13.350 1.00100.00 H new ATOM 0 HZ PHE A 35 7.598 8.066 -12.329 1.00100.00 H new ATOM 512 N TYR A 36 12.125 14.561 -12.793 1.00100.00 N ATOM 513 CA TYR A 36 12.523 15.927 -12.980 1.00100.00 C ATOM 514 C TYR A 36 12.169 16.810 -11.809 1.00100.00 C ATOM 515 O TYR A 36 13.042 17.543 -11.339 1.00100.00 O ATOM 516 CB TYR A 36 11.906 16.425 -14.315 1.00100.00 C ATOM 517 CG TYR A 36 12.207 17.875 -14.612 1.00100.00 C ATOM 518 CD1 TYR A 36 13.537 18.308 -14.711 1.00100.00 C ATOM 519 CD2 TYR A 36 11.156 18.789 -14.776 1.00100.00 C ATOM 520 CE1 TYR A 36 13.820 19.655 -14.974 1.00100.00 C ATOM 521 CE2 TYR A 36 11.429 20.137 -15.038 1.00100.00 C ATOM 522 CZ TYR A 36 12.765 20.576 -15.138 1.00100.00 C ATOM 523 OH TYR A 36 13.037 21.889 -15.391 1.00100.00 O ATOM 0 H TYR A 36 11.465 14.241 -13.502 1.00100.00 H new ATOM 0 HA TYR A 36 13.610 15.982 -13.036 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.282 15.809 -15.132 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.825 16.286 -14.281 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.345 17.602 -14.584 1.00100.00 H new ATOM 0 HD2 TYR A 36 10.133 18.452 -14.700 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.845 19.987 -15.051 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.618 20.839 -15.163 1.00100.00 H new ATOM 0 HH TYR A 36 12.197 22.386 -15.478 1.00100.00 H new ATOM 533 N LEU A 37 10.918 16.738 -11.290 1.00100.00 N ATOM 534 CA LEU A 37 10.534 17.547 -10.157 1.00100.00 C ATOM 535 C LEU A 37 9.892 16.704 -9.106 1.00100.00 C ATOM 536 O LEU A 37 8.920 15.987 -9.356 1.00100.00 O ATOM 537 CB LEU A 37 9.553 18.695 -10.489 1.00100.00 C ATOM 538 CG LEU A 37 10.165 19.728 -11.435 1.00100.00 C ATOM 539 CD1 LEU A 37 9.085 20.724 -11.856 1.00100.00 C ATOM 540 CD2 LEU A 37 11.298 20.495 -10.752 1.00100.00 C ATOM 0 H LEU A 37 10.182 16.129 -11.648 1.00100.00 H new ATOM 0 HA LEU A 37 11.467 17.994 -9.812 1.00100.00 H new ATOM 0 HB2 LEU A 37 8.652 18.280 -10.942 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.248 19.187 -9.566 1.00100.00 H new ATOM 0 HG LEU A 37 10.567 19.204 -12.302 1.00100.00 H new ATOM 0 HD11 LEU A 37 9.515 21.464 -12.531 1.00100.00 H new ATOM 0 HD12 LEU A 37 8.280 20.194 -12.364 1.00100.00 H new ATOM 0 HD13 LEU A 37 8.689 21.226 -10.973 1.00100.00 H new ATOM 0 HD21 LEU A 37 11.715 21.223 -11.447 1.00100.00 H new ATOM 0 HD22 LEU A 37 10.910 21.012 -9.875 1.00100.00 H new ATOM 0 HD23 LEU A 37 12.077 19.797 -10.446 1.00100.00 H new ATOM 552 N LEU A 38 10.455 16.801 -7.886 1.00100.00 N ATOM 553 CA LEU A 38 10.009 16.110 -6.702 1.00100.00 C ATOM 554 C LEU A 38 8.649 16.603 -6.296 1.00100.00 C ATOM 555 O LEU A 38 7.787 15.822 -5.897 1.00100.00 O ATOM 556 CB LEU A 38 10.951 16.336 -5.503 1.00100.00 C ATOM 557 CG LEU A 38 12.356 15.771 -5.726 1.00100.00 C ATOM 558 CD1 LEU A 38 13.202 16.070 -4.487 1.00100.00 C ATOM 559 CD2 LEU A 38 12.319 14.258 -5.941 1.00100.00 C ATOM 0 H LEU A 38 11.267 17.393 -7.711 1.00100.00 H new ATOM 0 HA LEU A 38 9.992 15.050 -6.954 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.024 17.405 -5.303 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.517 15.874 -4.616 1.00100.00 H new ATOM 0 HG LEU A 38 12.781 16.235 -6.616 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.208 15.674 -4.629 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.255 17.148 -4.334 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.747 15.601 -3.614 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.332 13.888 -6.096 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.887 13.776 -5.064 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.711 14.030 -6.816 1.00100.00 H new ATOM 571 N LYS A 39 8.454 17.935 -6.421 1.00100.00 N ATOM 572 CA LYS A 39 7.256 18.659 -6.087 1.00100.00 C ATOM 573 C LYS A 39 6.061 18.285 -6.909 1.00100.00 C ATOM 574 O LYS A 39 4.938 18.507 -6.452 1.00100.00 O ATOM 575 CB LYS A 39 7.428 20.188 -6.216 1.00100.00 C ATOM 576 CG LYS A 39 8.423 20.727 -5.190 1.00100.00 C ATOM 577 CD LYS A 39 8.477 22.251 -5.298 1.00100.00 C ATOM 578 CE LYS A 39 9.419 22.812 -4.237 1.00100.00 C ATOM 579 NZ LYS A 39 9.468 24.283 -4.300 1.00100.00 N1+ ATOM 0 H LYS A 39 9.185 18.548 -6.781 1.00100.00 H new ATOM 0 HA LYS A 39 7.081 18.374 -5.050 1.00100.00 H new ATOM 0 HB2 LYS A 39 7.771 20.433 -7.221 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.463 20.677 -6.080 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.123 20.432 -4.184 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.411 20.302 -5.366 1.00100.00 H new ATOM 0 HD2 LYS A 39 8.819 22.542 -6.291 1.00100.00 H new ATOM 0 HD3 LYS A 39 7.479 22.669 -5.169 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.087 22.498 -3.248 1.00100.00 H new ATOM 0 HE3 LYS A 39 10.420 22.405 -4.382 1.00100.00 H new ATOM 0 HZ1 LYS A 39 10.115 24.640 -3.569 1.00100.00 H new ATOM 0 HZ2 LYS A 39 9.807 24.579 -5.237 1.00100.00 H new ATOM 0 HZ3 LYS A 39 8.516 24.669 -4.138 1.00100.00 H new ATOM 593 N TYR A 40 6.274 17.729 -8.132 1.00100.00 N ATOM 594 CA TYR A 40 5.199 17.353 -9.018 1.00100.00 C ATOM 595 C TYR A 40 4.354 16.283 -8.376 1.00100.00 C ATOM 596 O TYR A 40 4.858 15.311 -7.808 1.00100.00 O ATOM 597 CB TYR A 40 5.700 16.948 -10.430 1.00100.00 C ATOM 598 CG TYR A 40 4.574 16.688 -11.403 1.00100.00 C ATOM 599 CD1 TYR A 40 3.860 17.767 -11.935 1.00100.00 C ATOM 600 CD2 TYR A 40 4.234 15.378 -11.766 1.00100.00 C ATOM 601 CE1 TYR A 40 2.794 17.547 -12.816 1.00100.00 C ATOM 602 CE2 TYR A 40 3.171 15.143 -12.648 1.00100.00 C ATOM 603 CZ TYR A 40 2.442 16.231 -13.176 1.00100.00 C ATOM 604 OH TYR A 40 1.407 16.016 -14.038 1.00100.00 O ATOM 0 H TYR A 40 7.203 17.539 -8.507 1.00100.00 H new ATOM 0 HA TYR A 40 4.573 18.230 -9.179 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.338 17.739 -10.824 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.316 16.053 -10.348 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.133 18.776 -11.664 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.794 14.546 -11.364 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.243 18.384 -13.219 1.00100.00 H new ATOM 0 HE2 TYR A 40 2.910 14.132 -12.923 1.00100.00 H new ATOM 0 HH TYR A 40 1.296 15.053 -14.182 1.00100.00 H new ATOM 614 N ASP A 41 3.021 16.487 -8.476 1.00100.00 N ATOM 615 CA ASP A 41 2.049 15.613 -7.883 1.00100.00 C ATOM 616 C ASP A 41 1.813 14.406 -8.747 1.00100.00 C ATOM 617 O ASP A 41 1.390 14.485 -9.901 1.00100.00 O ATOM 618 CB ASP A 41 0.710 16.360 -7.634 1.00100.00 C ATOM 619 CG ASP A 41 -0.333 15.441 -7.008 1.00100.00 C ATOM 620 OD1 ASP A 41 0.079 14.552 -6.230 1.00100.00 O ATOM 621 OD2 ASP A 41 -1.526 15.645 -7.318 1.00100.00 O1- ATOM 0 H ASP A 41 2.612 17.275 -8.979 1.00100.00 H new ATOM 0 HA ASP A 41 2.445 15.281 -6.924 1.00100.00 H new ATOM 0 HB2 ASP A 41 0.884 17.214 -6.979 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.331 16.754 -8.577 1.00100.00 H new ATOM 626 N GLU A 42 2.108 13.249 -8.128 1.00100.00 N ATOM 627 CA GLU A 42 1.983 11.907 -8.636 1.00100.00 C ATOM 628 C GLU A 42 1.583 11.046 -7.463 1.00100.00 C ATOM 629 O GLU A 42 1.391 11.541 -6.348 1.00100.00 O ATOM 630 CB GLU A 42 3.259 11.311 -9.285 1.00100.00 C ATOM 631 CG GLU A 42 3.704 12.145 -10.481 1.00100.00 C ATOM 632 CD GLU A 42 4.961 11.554 -11.104 1.00100.00 C ATOM 633 OE1 GLU A 42 4.946 10.332 -11.365 1.00100.00 O ATOM 634 OE2 GLU A 42 5.918 12.332 -11.302 1.00100.00 O1- ATOM 0 H GLU A 42 2.471 13.250 -7.175 1.00100.00 H new ATOM 0 HA GLU A 42 1.251 11.933 -9.444 1.00100.00 H new ATOM 0 HB2 GLU A 42 4.061 11.269 -8.548 1.00100.00 H new ATOM 0 HB3 GLU A 42 3.065 10.287 -9.603 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.906 12.183 -11.223 1.00100.00 H new ATOM 0 HG3 GLU A 42 3.895 13.171 -10.166 1.00100.00 H new ATOM 641 N GLU A 43 1.401 9.723 -7.701 1.00100.00 N ATOM 642 CA GLU A 43 1.010 8.767 -6.690 1.00100.00 C ATOM 643 C GLU A 43 2.054 8.703 -5.594 1.00100.00 C ATOM 644 O GLU A 43 1.704 8.681 -4.411 1.00100.00 O ATOM 645 CB GLU A 43 0.813 7.351 -7.286 1.00100.00 C ATOM 646 CG GLU A 43 0.340 6.363 -6.220 1.00100.00 C ATOM 647 CD GLU A 43 -0.984 6.801 -5.610 1.00100.00 C ATOM 648 OE1 GLU A 43 -2.022 6.523 -6.250 1.00100.00 O ATOM 649 OE2 GLU A 43 -0.935 7.407 -4.519 1.00100.00 O1- ATOM 0 H GLU A 43 1.529 9.306 -8.623 1.00100.00 H new ATOM 0 HA GLU A 43 0.059 9.104 -6.278 1.00100.00 H new ATOM 0 HB2 GLU A 43 0.084 7.393 -8.096 1.00100.00 H new ATOM 0 HB3 GLU A 43 1.751 7.002 -7.718 1.00100.00 H new ATOM 0 HG2 GLU A 43 0.230 5.373 -6.662 1.00100.00 H new ATOM 0 HG3 GLU A 43 1.094 6.280 -5.437 1.00100.00 H new ATOM 656 N TRP A 44 3.355 8.705 -5.981 1.00100.00 N ATOM 657 CA TRP A 44 4.464 8.675 -5.057 1.00100.00 C ATOM 658 C TRP A 44 4.518 9.920 -4.220 1.00100.00 C ATOM 659 O TRP A 44 4.128 10.998 -4.671 1.00100.00 O ATOM 660 CB TRP A 44 5.832 8.331 -5.707 1.00100.00 C ATOM 661 CG TRP A 44 6.325 9.268 -6.758 1.00100.00 C ATOM 662 CD1 TRP A 44 6.002 9.229 -8.069 1.00100.00 C ATOM 663 CD2 TRP A 44 7.286 10.352 -6.616 1.00100.00 C ATOM 664 NE1 TRP A 44 6.701 10.207 -8.747 1.00100.00 N ATOM 665 CE2 TRP A 44 7.524 10.916 -7.897 1.00100.00 C ATOM 666 CE3 TRP A 44 7.998 10.893 -5.531 1.00100.00 C ATOM 667 CZ2 TRP A 44 8.443 11.950 -8.098 1.00100.00 C ATOM 668 CZ3 TRP A 44 8.918 11.934 -5.718 1.00100.00 C ATOM 669 CH2 TRP A 44 9.152 12.447 -7.000 1.00100.00 C ATOM 0 H TRP A 44 3.642 8.728 -6.959 1.00100.00 H new ATOM 0 HA TRP A 44 4.266 7.837 -4.389 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.581 8.280 -4.917 1.00100.00 H new ATOM 0 HB3 TRP A 44 5.761 7.335 -6.144 1.00100.00 H new ATOM 0 HD1 TRP A 44 5.304 8.538 -8.518 1.00100.00 H new ATOM 0 HE1 TRP A 44 6.619 10.383 -9.748 1.00100.00 H new ATOM 0 HE3 TRP A 44 7.834 10.501 -4.538 1.00100.00 H new ATOM 0 HZ2 TRP A 44 8.603 12.358 -9.085 1.00100.00 H new ATOM 0 HZ3 TRP A 44 9.448 12.342 -4.870 1.00100.00 H new ATOM 0 HH2 TRP A 44 9.883 13.229 -7.141 1.00100.00 H new ATOM 680 N TYR A 45 4.986 9.768 -2.958 1.00100.00 N ATOM 681 CA TYR A 45 5.049 10.861 -2.013 1.00100.00 C ATOM 682 C TYR A 45 6.175 11.808 -2.354 1.00100.00 C ATOM 683 O TYR A 45 7.324 11.370 -2.445 1.00100.00 O ATOM 684 CB TYR A 45 5.259 10.384 -0.554 1.00100.00 C ATOM 685 CG TYR A 45 4.103 9.551 -0.053 1.00100.00 C ATOM 686 CD1 TYR A 45 4.077 8.168 -0.287 1.00100.00 C ATOM 687 CD2 TYR A 45 3.039 10.170 0.618 1.00100.00 C ATOM 688 CE1 TYR A 45 2.992 7.400 0.155 1.00100.00 C ATOM 689 CE2 TYR A 45 1.949 9.409 1.062 1.00100.00 C ATOM 690 CZ TYR A 45 1.922 8.019 0.831 1.00100.00 C ATOM 691 OH TYR A 45 0.862 7.275 1.257 1.00100.00 O ATOM 0 H TYR A 45 5.324 8.880 -2.587 1.00100.00 H new ATOM 0 HA TYR A 45 4.085 11.364 -2.085 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.178 9.801 -0.493 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.388 11.251 0.095 1.00100.00 H new ATOM 0 HD1 TYR A 45 4.895 7.694 -0.809 1.00100.00 H new ATOM 0 HD2 TYR A 45 3.059 11.236 0.793 1.00100.00 H new ATOM 0 HE1 TYR A 45 2.976 6.335 -0.022 1.00100.00 H new ATOM 0 HE2 TYR A 45 1.131 9.887 1.580 1.00100.00 H new ATOM 0 HH TYR A 45 0.213 7.857 1.705 1.00100.00 H new ATOM 701 N PRO A 46 5.870 13.135 -2.522 1.00100.00 N ATOM 702 CA PRO A 46 6.836 14.160 -2.869 1.00100.00 C ATOM 703 C PRO A 46 7.975 14.302 -1.906 1.00100.00 C ATOM 704 O PRO A 46 9.087 14.570 -2.363 1.00100.00 O ATOM 705 CB PRO A 46 6.040 15.456 -3.006 1.00100.00 C ATOM 706 CG PRO A 46 4.645 14.970 -3.378 1.00100.00 C ATOM 707 CD PRO A 46 4.523 13.674 -2.583 1.00100.00 C ATOM 0 HA PRO A 46 7.336 13.883 -3.797 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.034 16.025 -2.076 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.458 16.106 -3.775 1.00100.00 H new ATOM 0 HG2 PRO A 46 3.877 15.691 -3.099 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.547 14.799 -4.450 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.128 13.861 -1.584 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.842 12.976 -3.070 1.00100.00 H new ATOM 715 N GLU A 47 7.713 14.146 -0.585 1.00100.00 N ATOM 716 CA GLU A 47 8.737 14.244 0.425 1.00100.00 C ATOM 717 C GLU A 47 9.469 12.937 0.389 1.00100.00 C ATOM 718 O GLU A 47 8.840 11.876 0.471 1.00100.00 O ATOM 719 CB GLU A 47 8.170 14.420 1.851 1.00100.00 C ATOM 720 CG GLU A 47 9.320 14.583 2.848 1.00100.00 C ATOM 721 CD GLU A 47 8.821 14.765 4.278 1.00100.00 C ATOM 722 OE1 GLU A 47 7.594 14.643 4.483 1.00100.00 O ATOM 723 OE2 GLU A 47 9.684 15.023 5.143 1.00100.00 O1- ATOM 0 H GLU A 47 6.783 13.950 -0.215 1.00100.00 H new ATOM 0 HA GLU A 47 9.358 15.115 0.216 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.518 15.292 1.888 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.562 13.556 2.120 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.968 13.708 2.800 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.926 15.444 2.564 1.00100.00 H new ATOM 730 N GLU A 48 10.815 12.999 0.278 1.00100.00 N ATOM 731 CA GLU A 48 11.611 11.807 0.216 1.00100.00 C ATOM 732 C GLU A 48 12.232 11.528 1.546 1.00100.00 C ATOM 733 O GLU A 48 12.800 12.408 2.193 1.00100.00 O ATOM 734 CB GLU A 48 12.702 11.811 -0.864 1.00100.00 C ATOM 735 CG GLU A 48 12.113 11.668 -2.263 1.00100.00 C ATOM 736 CD GLU A 48 13.231 11.652 -3.299 1.00100.00 C ATOM 737 OE1 GLU A 48 14.019 12.623 -3.300 1.00100.00 O ATOM 738 OE2 GLU A 48 13.285 10.664 -4.063 1.00100.00 O1- ATOM 0 H GLU A 48 11.347 13.868 0.232 1.00100.00 H new ATOM 0 HA GLU A 48 10.914 11.018 -0.065 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.271 12.738 -0.802 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.400 10.995 -0.678 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.531 10.749 -2.329 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.430 12.493 -2.465 1.00100.00 H new ATOM 745 N LEU A 49 12.089 10.253 1.973 1.00100.00 N ATOM 746 CA LEU A 49 12.560 9.748 3.236 1.00100.00 C ATOM 747 C LEU A 49 14.050 9.835 3.402 1.00100.00 C ATOM 748 O LEU A 49 14.525 10.317 4.433 1.00100.00 O ATOM 749 CB LEU A 49 12.141 8.275 3.418 1.00100.00 C ATOM 750 CG LEU A 49 10.627 8.093 3.267 1.00100.00 C ATOM 751 CD1 LEU A 49 10.288 6.610 3.410 1.00100.00 C ATOM 752 CD2 LEU A 49 9.870 8.888 4.330 1.00100.00 C ATOM 0 H LEU A 49 11.623 9.540 1.411 1.00100.00 H new ATOM 0 HA LEU A 49 12.102 10.385 3.992 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.657 7.657 2.683 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.453 7.927 4.403 1.00100.00 H new ATOM 0 HG LEU A 49 10.328 8.460 2.285 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.212 6.471 3.304 1.00100.00 H new ATOM 0 HD12 LEU A 49 10.805 6.042 2.637 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.604 6.257 4.392 1.00100.00 H new ATOM 0 HD21 LEU A 49 8.798 8.741 4.200 1.00100.00 H new ATOM 0 HD22 LEU A 49 10.166 8.544 5.321 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.106 9.947 4.229 1.00100.00 H new ATOM 764 N LEU A 50 14.813 9.402 2.370 1.00100.00 N ATOM 765 CA LEU A 50 16.254 9.414 2.392 1.00100.00 C ATOM 766 C LEU A 50 16.836 10.792 2.448 1.00100.00 C ATOM 767 O LEU A 50 17.778 11.037 3.202 1.00100.00 O ATOM 768 CB LEU A 50 16.895 8.699 1.186 1.00100.00 C ATOM 769 CG LEU A 50 16.581 7.200 1.191 1.00100.00 C ATOM 770 CD1 LEU A 50 17.104 6.586 -0.106 1.00100.00 C ATOM 771 CD2 LEU A 50 17.249 6.499 2.374 1.00100.00 C ATOM 0 H LEU A 50 14.421 9.036 1.503 1.00100.00 H new ATOM 0 HA LEU A 50 16.489 8.873 3.309 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.530 9.145 0.261 1.00100.00 H new ATOM 0 HB3 LEU A 50 17.975 8.846 1.206 1.00100.00 H new ATOM 0 HG LEU A 50 15.502 7.070 1.277 1.00100.00 H new ATOM 0 HD11 LEU A 50 16.887 5.518 -0.116 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.617 7.063 -0.957 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.181 6.738 -0.172 1.00100.00 H new ATOM 0 HD21 LEU A 50 17.008 5.436 2.351 1.00100.00 H new ATOM 0 HD22 LEU A 50 18.330 6.627 2.310 1.00100.00 H new ATOM 0 HD23 LEU A 50 16.887 6.933 3.306 1.00100.00 H new ATOM 783 N THR A 51 16.255 11.727 1.667 1.00100.00 N ATOM 784 CA THR A 51 16.733 13.079 1.592 1.00100.00 C ATOM 785 C THR A 51 16.157 13.917 2.701 1.00100.00 C ATOM 786 O THR A 51 15.172 14.643 2.525 1.00100.00 O ATOM 787 CB THR A 51 16.477 13.678 0.229 1.00100.00 C ATOM 788 OG1 THR A 51 15.106 13.606 -0.062 1.00100.00 O ATOM 789 CG2 THR A 51 17.257 12.925 -0.847 1.00100.00 C ATOM 0 H THR A 51 15.442 11.542 1.079 1.00100.00 H new ATOM 0 HA THR A 51 17.814 13.064 1.730 1.00100.00 H new ATOM 0 HB THR A 51 16.805 14.717 0.240 1.00100.00 H new ATOM 0 HG1 THR A 51 14.591 13.915 0.712 1.00100.00 H new ATOM 0 HG21 THR A 51 17.058 13.373 -1.821 1.00100.00 H new ATOM 0 HG22 THR A 51 18.324 12.984 -0.631 1.00100.00 H new ATOM 0 HG23 THR A 51 16.946 11.880 -0.858 1.00100.00 H new ATOM 797 N ASP A 52 16.792 13.820 3.895 1.00100.00 N ATOM 798 CA ASP A 52 16.336 14.562 5.036 1.00100.00 C ATOM 799 C ASP A 52 17.094 15.858 5.040 1.00100.00 C ATOM 800 O ASP A 52 18.295 15.919 5.312 1.00100.00 O ATOM 801 CB ASP A 52 16.547 13.812 6.383 1.00100.00 C ATOM 802 CG ASP A 52 16.125 14.681 7.561 1.00100.00 C ATOM 803 OD1 ASP A 52 15.062 15.328 7.441 1.00100.00 O ATOM 804 OD2 ASP A 52 16.878 14.687 8.558 1.00100.00 O1- ATOM 0 H ASP A 52 17.610 13.235 4.065 1.00100.00 H new ATOM 0 HA ASP A 52 15.260 14.714 4.954 1.00100.00 H new ATOM 0 HB2 ASP A 52 15.970 12.887 6.383 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.596 13.534 6.488 1.00100.00 H new ATOM 809 N GLY A 53 16.355 16.918 4.666 1.00100.00 N ATOM 810 CA GLY A 53 16.819 18.273 4.611 1.00100.00 C ATOM 811 C GLY A 53 17.448 18.645 3.301 1.00100.00 C ATOM 812 O GLY A 53 17.648 19.834 3.052 1.00100.00 O ATOM 0 H GLY A 53 15.379 16.825 4.386 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.981 18.942 4.804 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.544 18.432 5.409 1.00100.00 H new ATOM 816 N GLU A 54 17.774 17.651 2.436 1.00100.00 N ATOM 817 CA GLU A 54 18.370 17.909 1.150 1.00100.00 C ATOM 818 C GLU A 54 17.377 18.545 0.223 1.00100.00 C ATOM 819 O GLU A 54 17.720 19.476 -0.509 1.00100.00 O ATOM 820 CB GLU A 54 18.966 16.656 0.487 1.00100.00 C ATOM 821 CG GLU A 54 20.018 16.016 1.395 1.00100.00 C ATOM 822 CD GLU A 54 20.548 14.713 0.808 1.00100.00 C ATOM 823 OE1 GLU A 54 20.318 14.488 -0.400 1.00100.00 O ATOM 824 OE2 GLU A 54 21.173 13.960 1.586 1.00100.00 O1- ATOM 0 H GLU A 54 17.622 16.662 2.632 1.00100.00 H new ATOM 0 HA GLU A 54 19.197 18.594 1.338 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.174 15.938 0.276 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.417 16.923 -0.469 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.844 16.712 1.542 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.584 15.824 2.376 1.00100.00 H new ATOM 831 N ASP A 55 16.116 18.046 0.264 1.00100.00 N ATOM 832 CA ASP A 55 15.019 18.518 -0.544 1.00100.00 C ATOM 833 C ASP A 55 14.725 19.945 -0.216 1.00100.00 C ATOM 834 O ASP A 55 14.592 20.771 -1.122 1.00100.00 O ATOM 835 CB ASP A 55 13.699 17.764 -0.259 1.00100.00 C ATOM 836 CG ASP A 55 13.742 16.314 -0.730 1.00100.00 C ATOM 837 OD1 ASP A 55 14.639 15.994 -1.541 1.00100.00 O ATOM 838 OD2 ASP A 55 12.864 15.549 -0.277 1.00100.00 O1- ATOM 0 H ASP A 55 15.851 17.282 0.886 1.00100.00 H new ATOM 0 HA ASP A 55 15.329 18.367 -1.578 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.494 17.789 0.811 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.876 18.279 -0.754 1.00100.00 H new ATOM 843 N ASP A 56 14.672 20.249 1.110 1.00100.00 N ATOM 844 CA ASP A 56 14.389 21.543 1.679 1.00100.00 C ATOM 845 C ASP A 56 13.087 22.093 1.128 1.00100.00 C ATOM 846 O ASP A 56 12.988 23.263 0.758 1.00100.00 O ATOM 847 CB ASP A 56 15.577 22.537 1.505 1.00100.00 C ATOM 848 CG ASP A 56 15.337 23.852 2.237 1.00100.00 C ATOM 849 OD1 ASP A 56 14.797 23.789 3.363 1.00100.00 O ATOM 850 OD2 ASP A 56 15.702 24.897 1.657 1.00100.00 O1- ATOM 0 H ASP A 56 14.838 19.542 1.826 1.00100.00 H new ATOM 0 HA ASP A 56 14.265 21.416 2.754 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.492 22.077 1.878 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.730 22.736 0.444 1.00100.00 H new ATOM 855 N VAL A 57 12.062 21.212 1.023 1.00100.00 N ATOM 856 CA VAL A 57 10.758 21.583 0.528 1.00100.00 C ATOM 857 C VAL A 57 9.859 21.686 1.727 1.00100.00 C ATOM 858 O VAL A 57 9.201 22.708 1.932 1.00100.00 O ATOM 859 CB VAL A 57 10.179 20.549 -0.443 1.00100.00 C ATOM 860 CG1 VAL A 57 8.770 20.955 -0.876 1.00100.00 C ATOM 861 CG2 VAL A 57 11.073 20.459 -1.680 1.00100.00 C ATOM 0 H VAL A 57 12.139 20.229 1.285 1.00100.00 H new ATOM 0 HA VAL A 57 10.837 22.520 -0.023 1.00100.00 H new ATOM 0 HB VAL A 57 10.134 19.583 0.060 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.373 20.210 -1.566 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.125 21.019 -0.000 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.807 21.925 -1.372 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.663 19.724 -2.372 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.117 21.432 -2.168 1.00100.00 H new ATOM 0 HG23 VAL A 57 12.077 20.157 -1.382 1.00100.00 H new ATOM 871 N PHE A 58 9.854 20.621 2.561 1.00100.00 N ATOM 872 CA PHE A 58 9.036 20.551 3.732 1.00100.00 C ATOM 873 C PHE A 58 9.325 21.533 4.811 1.00100.00 C ATOM 874 O PHE A 58 8.374 22.046 5.404 1.00100.00 O ATOM 875 CB PHE A 58 8.813 19.115 4.239 1.00100.00 C ATOM 876 CG PHE A 58 7.728 18.456 3.420 1.00100.00 C ATOM 877 CD1 PHE A 58 7.979 18.082 2.094 1.00100.00 C ATOM 878 CD2 PHE A 58 6.436 18.330 3.949 1.00100.00 C ATOM 879 CE1 PHE A 58 6.940 17.586 1.296 1.00100.00 C ATOM 880 CE2 PHE A 58 5.399 17.819 3.156 1.00100.00 C ATOM 881 CZ PHE A 58 5.650 17.450 1.827 1.00100.00 C ATOM 0 H PHE A 58 10.432 19.794 2.414 1.00100.00 H new ATOM 0 HA PHE A 58 8.070 20.899 3.365 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.738 18.543 4.164 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.531 19.129 5.292 1.00100.00 H new ATOM 0 HD1 PHE A 58 8.975 18.176 1.686 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.239 18.627 4.969 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.133 17.308 0.270 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.407 17.710 3.569 1.00100.00 H new ATOM 0 HZ PHE A 58 4.851 17.062 1.213 1.00100.00 H new ATOM 891 N ASP A 59 10.622 21.827 5.083 1.00100.00 N ATOM 892 CA ASP A 59 10.964 22.777 6.119 1.00100.00 C ATOM 893 C ASP A 59 10.429 24.181 5.854 1.00100.00 C ATOM 894 O ASP A 59 9.795 24.717 6.764 1.00100.00 O ATOM 895 CB ASP A 59 12.485 22.812 6.448 1.00100.00 C ATOM 896 CG ASP A 59 12.981 21.423 6.829 1.00100.00 C ATOM 897 OD1 ASP A 59 12.415 20.863 7.792 1.00100.00 O ATOM 898 OD2 ASP A 59 13.911 20.944 6.145 1.00100.00 O1- ATOM 0 H ASP A 59 11.420 21.417 4.597 1.00100.00 H new ATOM 0 HA ASP A 59 10.454 22.403 7.007 1.00100.00 H new ATOM 0 HB2 ASP A 59 13.041 23.179 5.585 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.670 23.508 7.266 1.00100.00 H new ATOM 903 N PRO A 60 10.591 24.815 4.642 1.00100.00 N ATOM 904 CA PRO A 60 10.041 26.130 4.383 1.00100.00 C ATOM 905 C PRO A 60 8.557 26.115 4.130 1.00100.00 C ATOM 906 O PRO A 60 7.952 27.181 4.237 1.00100.00 O ATOM 907 CB PRO A 60 10.826 26.702 3.205 1.00100.00 C ATOM 908 CG PRO A 60 11.173 25.425 2.433 1.00100.00 C ATOM 909 CD PRO A 60 11.422 24.390 3.534 1.00100.00 C ATOM 0 HA PRO A 60 10.148 26.760 5.266 1.00100.00 H new ATOM 0 HB2 PRO A 60 10.230 27.394 2.610 1.00100.00 H new ATOM 0 HB3 PRO A 60 11.716 27.243 3.527 1.00100.00 H new ATOM 0 HG2 PRO A 60 10.359 25.121 1.775 1.00100.00 H new ATOM 0 HG3 PRO A 60 12.054 25.563 1.807 1.00100.00 H new ATOM 0 HD2 PRO A 60 11.154 23.387 3.201 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.474 24.361 3.818 1.00100.00 H new ATOM 917 N ASP A 61 7.968 24.935 3.793 1.00100.00 N ATOM 918 CA ASP A 61 6.563 24.729 3.505 1.00100.00 C ATOM 919 C ASP A 61 6.048 25.669 2.429 1.00100.00 C ATOM 920 O ASP A 61 4.974 26.268 2.541 1.00100.00 O ATOM 921 CB ASP A 61 5.674 24.737 4.786 1.00100.00 C ATOM 922 CG ASP A 61 4.259 24.265 4.475 1.00100.00 C ATOM 923 OD1 ASP A 61 4.137 23.107 4.019 1.00100.00 O ATOM 924 OD2 ASP A 61 3.329 25.071 4.696 1.00100.00 O1- ATOM 0 H ASP A 61 8.507 24.072 3.717 1.00100.00 H new ATOM 0 HA ASP A 61 6.484 23.722 3.095 1.00100.00 H new ATOM 0 HB2 ASP A 61 6.118 24.092 5.544 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.641 25.743 5.203 1.00100.00 H new ATOM 929 N LEU A 62 6.849 25.819 1.351 1.00100.00 N ATOM 930 CA LEU A 62 6.517 26.667 0.238 1.00100.00 C ATOM 931 C LEU A 62 6.238 25.750 -0.916 1.00100.00 C ATOM 932 O LEU A 62 7.100 24.965 -1.322 1.00100.00 O ATOM 933 CB LEU A 62 7.687 27.614 -0.139 1.00100.00 C ATOM 934 CG LEU A 62 7.370 28.432 -1.393 1.00100.00 C ATOM 935 CD1 LEU A 62 6.183 29.364 -1.149 1.00100.00 C ATOM 936 CD2 LEU A 62 8.594 29.264 -1.769 1.00100.00 C ATOM 0 H LEU A 62 7.745 25.342 1.250 1.00100.00 H new ATOM 0 HA LEU A 62 5.665 27.297 0.492 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.893 28.288 0.693 1.00100.00 H new ATOM 0 HB3 LEU A 62 8.591 27.028 -0.305 1.00100.00 H new ATOM 0 HG LEU A 62 7.114 27.748 -2.202 1.00100.00 H new ATOM 0 HD11 LEU A 62 5.977 29.935 -2.054 1.00100.00 H new ATOM 0 HD12 LEU A 62 5.306 28.774 -0.884 1.00100.00 H new ATOM 0 HD13 LEU A 62 6.419 30.049 -0.334 1.00100.00 H new ATOM 0 HD21 LEU A 62 8.376 29.850 -2.662 1.00100.00 H new ATOM 0 HD22 LEU A 62 8.844 29.935 -0.947 1.00100.00 H new ATOM 0 HD23 LEU A 62 9.437 28.602 -1.967 1.00100.00 H new ATOM 948 N ASP A 63 5.008 25.845 -1.463 1.00100.00 N ATOM 949 CA ASP A 63 4.623 25.029 -2.574 1.00100.00 C ATOM 950 C ASP A 63 4.291 25.987 -3.673 1.00100.00 C ATOM 951 O ASP A 63 3.487 26.903 -3.481 1.00100.00 O ATOM 952 CB ASP A 63 3.377 24.150 -2.286 1.00100.00 C ATOM 953 CG ASP A 63 3.037 23.300 -3.503 1.00100.00 C ATOM 954 OD1 ASP A 63 3.820 22.366 -3.778 1.00100.00 O ATOM 955 OD2 ASP A 63 2.006 23.606 -4.140 1.00100.00 O1- ATOM 0 H ASP A 63 4.284 26.485 -1.136 1.00100.00 H new ATOM 0 HA ASP A 63 5.432 24.340 -2.817 1.00100.00 H new ATOM 0 HB2 ASP A 63 3.568 23.507 -1.427 1.00100.00 H new ATOM 0 HB3 ASP A 63 2.528 24.784 -2.028 1.00100.00 H new ATOM 960 N MET A 64 4.950 25.808 -4.837 1.00100.00 N ATOM 961 CA MET A 64 4.686 26.643 -5.973 1.00100.00 C ATOM 962 C MET A 64 4.131 25.754 -7.037 1.00100.00 C ATOM 963 O MET A 64 4.814 24.865 -7.559 1.00100.00 O ATOM 964 CB MET A 64 5.928 27.374 -6.520 1.00100.00 C ATOM 965 CG MET A 64 6.467 28.342 -5.469 1.00100.00 C ATOM 966 SD MET A 64 8.080 29.046 -5.886 1.00100.00 S ATOM 967 CE MET A 64 9.106 27.582 -5.593 1.00100.00 C ATOM 0 H MET A 64 5.660 25.091 -4.991 1.00100.00 H new ATOM 0 HA MET A 64 3.996 27.428 -5.666 1.00100.00 H new ATOM 0 HB2 MET A 64 6.697 26.650 -6.789 1.00100.00 H new ATOM 0 HB3 MET A 64 5.670 27.917 -7.429 1.00100.00 H new ATOM 0 HG2 MET A 64 5.751 29.153 -5.334 1.00100.00 H new ATOM 0 HG3 MET A 64 6.544 27.822 -4.514 1.00100.00 H new ATOM 0 HE1 MET A 64 10.149 27.821 -5.800 1.00100.00 H new ATOM 0 HE2 MET A 64 9.005 27.269 -4.554 1.00100.00 H new ATOM 0 HE3 MET A 64 8.782 26.774 -6.249 1.00100.00 H new ATOM 977 N GLU A 65 2.846 26.008 -7.376 1.00100.00 N ATOM 978 CA GLU A 65 2.135 25.265 -8.377 1.00100.00 C ATOM 979 C GLU A 65 2.696 25.420 -9.746 1.00100.00 C ATOM 980 O GLU A 65 2.785 24.438 -10.481 1.00100.00 O ATOM 981 CB GLU A 65 0.626 25.536 -8.455 1.00100.00 C ATOM 982 CG GLU A 65 -0.042 25.178 -7.129 1.00100.00 C ATOM 983 CD GLU A 65 -1.556 25.332 -7.214 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.999 26.264 -7.921 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.245 24.511 -6.571 1.00100.00 O1- ATOM 0 H GLU A 65 2.291 26.746 -6.943 1.00100.00 H new ATOM 0 HA GLU A 65 2.276 24.243 -8.027 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.449 26.586 -8.688 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.185 24.951 -9.262 1.00100.00 H new ATOM 0 HG2 GLU A 65 0.207 24.152 -6.859 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.347 25.819 -6.338 1.00100.00 H new ATOM 992 N VAL A 66 3.112 26.661 -10.096 1.00100.00 N ATOM 993 CA VAL A 66 3.660 26.996 -11.389 1.00100.00 C ATOM 994 C VAL A 66 4.921 26.200 -11.630 1.00100.00 C ATOM 995 O VAL A 66 5.084 25.652 -12.723 1.00100.00 O ATOM 996 CB VAL A 66 3.929 28.496 -11.511 1.00100.00 C ATOM 997 CG1 VAL A 66 4.502 28.819 -12.891 1.00100.00 C ATOM 998 CG2 VAL A 66 2.629 29.276 -11.312 1.00100.00 C ATOM 0 H VAL A 66 3.066 27.457 -9.460 1.00100.00 H new ATOM 0 HA VAL A 66 2.926 26.738 -12.152 1.00100.00 H new ATOM 0 HB VAL A 66 4.649 28.783 -10.745 1.00100.00 H new ATOM 0 HG11 VAL A 66 4.689 29.890 -12.966 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.437 28.276 -13.033 1.00100.00 H new ATOM 0 HG13 VAL A 66 3.789 28.521 -13.660 1.00100.00 H new ATOM 0 HG21 VAL A 66 2.828 30.344 -11.400 1.00100.00 H new ATOM 0 HG22 VAL A 66 1.906 28.978 -12.071 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.225 29.063 -10.322 1.00100.00 H new ATOM 1008 N VAL A 67 5.809 26.096 -10.605 1.00100.00 N ATOM 1009 CA VAL A 67 7.053 25.374 -10.725 1.00100.00 C ATOM 1010 C VAL A 67 6.806 23.918 -11.009 1.00100.00 C ATOM 1011 O VAL A 67 7.388 23.411 -11.968 1.00100.00 O ATOM 1012 CB VAL A 67 7.938 25.551 -9.493 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.228 24.741 -9.639 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.286 27.028 -9.314 1.00100.00 C ATOM 0 H VAL A 67 5.661 26.516 -9.688 1.00100.00 H new ATOM 0 HA VAL A 67 7.592 25.799 -11.571 1.00100.00 H new ATOM 0 HB VAL A 67 7.392 25.194 -8.620 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.847 24.879 -8.752 1.00100.00 H new ATOM 0 HG12 VAL A 67 8.984 23.685 -9.750 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.774 25.082 -10.519 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.917 27.149 -8.434 1.00100.00 H new ATOM 0 HG22 VAL A 67 8.819 27.386 -10.195 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.370 27.605 -9.185 1.00100.00 H new ATOM 1024 N PHE A 68 5.912 23.242 -10.237 1.00100.00 N ATOM 1025 CA PHE A 68 5.670 21.847 -10.489 1.00100.00 C ATOM 1026 C PHE A 68 4.950 21.549 -11.772 1.00100.00 C ATOM 1027 O PHE A 68 5.311 20.598 -12.469 1.00100.00 O ATOM 1028 CB PHE A 68 5.168 20.997 -9.295 1.00100.00 C ATOM 1029 CG PHE A 68 3.716 21.101 -8.892 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.755 20.286 -9.507 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.345 21.916 -7.814 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.427 20.297 -9.063 1.00100.00 C ATOM 1033 CE2 PHE A 68 2.017 21.925 -7.367 1.00100.00 C ATOM 1034 CZ PHE A 68 1.057 21.121 -7.994 1.00100.00 C ATOM 0 H PHE A 68 5.378 23.647 -9.468 1.00100.00 H new ATOM 0 HA PHE A 68 6.689 21.490 -10.635 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.374 19.951 -9.524 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.772 21.258 -8.426 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.041 19.646 -10.328 1.00100.00 H new ATOM 0 HD2 PHE A 68 4.083 22.537 -7.328 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.690 19.671 -9.544 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.733 22.554 -6.536 1.00100.00 H new ATOM 0 HZ PHE A 68 0.032 21.137 -7.653 1.00100.00 H new ATOM 1044 N GLU A 69 3.953 22.388 -12.135 1.00100.00 N ATOM 1045 CA GLU A 69 3.180 22.170 -13.326 1.00100.00 C ATOM 1046 C GLU A 69 3.841 22.653 -14.577 1.00100.00 C ATOM 1047 O GLU A 69 3.577 23.735 -15.105 1.00100.00 O ATOM 1048 CB GLU A 69 1.735 22.701 -13.264 1.00100.00 C ATOM 1049 CG GLU A 69 0.984 22.080 -12.086 1.00100.00 C ATOM 1050 CD GLU A 69 -0.420 22.659 -11.953 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.536 23.900 -12.031 1.00100.00 O1- ATOM 1052 OE2 GLU A 69 -1.351 21.847 -11.762 1.00100.00 O ATOM 0 H GLU A 69 3.684 23.216 -11.604 1.00100.00 H new ATOM 0 HA GLU A 69 3.124 21.082 -13.369 1.00100.00 H new ATOM 0 HB2 GLU A 69 1.745 23.786 -13.165 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.217 22.471 -14.195 1.00100.00 H new ATOM 0 HG2 GLU A 69 0.922 21.000 -12.221 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.540 22.255 -11.165 1.00100.00 H new