USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 589 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 32 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.362 K(o=0.36,f=-6.4!) USER MOD Single : A 41 MET CE :methyl 174:sc= 0 (180deg=-0.0686) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.582 K(o=0.58,f=-0.028) USER MOD Single : A 61 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.84) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00513 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -142:sc=-0.00964 (180deg=-0.241) USER MOD Single : A 84 SER OG : rot 180:sc= -1.08 USER MOD Single : A 85 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -22.623 3.404 -13.010 1.00 0.00 N ATOM 2 CA PHE A 31 -22.504 3.501 -11.541 1.00 0.00 C ATOM 3 C PHE A 31 -21.039 3.638 -11.193 1.00 0.00 C ATOM 4 O PHE A 31 -20.227 2.808 -11.596 1.00 0.00 O ATOM 5 CB PHE A 31 -23.152 2.324 -10.803 1.00 0.00 C ATOM 6 CG PHE A 31 -22.830 2.347 -9.320 1.00 0.00 C ATOM 7 CD1 PHE A 31 -23.370 3.356 -8.498 1.00 0.00 C ATOM 8 CD2 PHE A 31 -21.900 1.436 -8.784 1.00 0.00 C ATOM 9 CE1 PHE A 31 -22.968 3.457 -7.154 1.00 0.00 C ATOM 10 CE2 PHE A 31 -21.511 1.530 -7.437 1.00 0.00 C ATOM 11 CZ PHE A 31 -22.043 2.543 -6.621 1.00 0.00 C ATOM 0 HA PHE A 31 -23.055 4.380 -11.206 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -24.233 2.358 -10.942 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.804 1.386 -11.237 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -24.092 4.051 -8.900 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -21.484 0.661 -9.411 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.372 4.240 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -20.803 0.824 -7.029 1.00 0.00 H new ATOM 0 HZ PHE A 31 -21.742 2.619 -5.587 1.00 0.00 H new ATOM 21 N ASN A 32 -20.675 4.733 -10.507 1.00 0.00 N ATOM 22 CA ASN A 32 -19.285 5.158 -10.369 1.00 0.00 C ATOM 23 C ASN A 32 -19.086 5.970 -9.067 1.00 0.00 C ATOM 24 O ASN A 32 -19.730 7.002 -8.900 1.00 0.00 O ATOM 25 CB ASN A 32 -18.950 6.043 -11.597 1.00 0.00 C ATOM 26 CG ASN A 32 -19.356 5.495 -12.968 1.00 0.00 C ATOM 27 OD1 ASN A 32 -20.521 5.437 -13.337 1.00 0.00 O ATOM 28 ND2 ASN A 32 -18.397 5.127 -13.757 1.00 0.00 N ATOM 0 H ASN A 32 -21.341 5.344 -10.035 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.629 4.289 -10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.432 7.011 -11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.875 6.221 -11.606 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.610 4.786 -14.694 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.429 5.179 -13.441 1.00 0.00 H new ATOM 35 N VAL A 33 -18.210 5.535 -8.157 1.00 0.00 N ATOM 36 CA VAL A 33 -17.859 6.295 -6.919 1.00 0.00 C ATOM 37 C VAL A 33 -16.490 5.884 -6.356 1.00 0.00 C ATOM 38 O VAL A 33 -16.155 4.700 -6.393 1.00 0.00 O ATOM 39 CB VAL A 33 -18.975 6.154 -5.850 1.00 0.00 C ATOM 40 CG1 VAL A 33 -19.171 4.728 -5.316 1.00 0.00 C ATOM 41 CG2 VAL A 33 -18.756 7.082 -4.658 1.00 0.00 C ATOM 0 H VAL A 33 -17.715 4.647 -8.243 1.00 0.00 H new ATOM 0 HA VAL A 33 -17.783 7.347 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 33 -19.878 6.437 -6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -19.970 4.724 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -19.436 4.065 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.246 4.382 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -19.563 6.946 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -17.803 6.847 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.745 8.117 -5.000 1.00 0.00 H new ATOM 51 N SER A 34 -15.705 6.841 -5.852 1.00 0.00 N ATOM 52 CA SER A 34 -14.302 6.664 -5.411 1.00 0.00 C ATOM 53 C SER A 34 -13.395 5.991 -6.457 1.00 0.00 C ATOM 54 O SER A 34 -13.772 5.746 -7.606 1.00 0.00 O ATOM 55 CB SER A 34 -14.248 5.946 -4.046 1.00 0.00 C ATOM 56 OG SER A 34 -14.824 6.728 -3.018 1.00 0.00 O ATOM 0 H SER A 34 -16.034 7.799 -5.732 1.00 0.00 H new ATOM 0 HA SER A 34 -13.889 7.666 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.773 4.993 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.212 5.721 -3.794 1.00 0.00 H new ATOM 0 HG SER A 34 -14.773 6.241 -2.169 1.00 0.00 H new ATOM 62 N ASN A 35 -12.136 5.672 -6.104 1.00 0.00 N ATOM 63 CA ASN A 35 -11.237 4.838 -6.912 1.00 0.00 C ATOM 64 C ASN A 35 -10.290 4.016 -6.005 1.00 0.00 C ATOM 65 O ASN A 35 -10.088 4.372 -4.847 1.00 0.00 O ATOM 66 CB ASN A 35 -10.441 5.754 -7.870 1.00 0.00 C ATOM 67 CG ASN A 35 -9.767 5.009 -9.012 1.00 0.00 C ATOM 68 OD1 ASN A 35 -8.771 4.306 -8.852 1.00 0.00 O ATOM 69 ND2 ASN A 35 -10.287 5.088 -10.224 1.00 0.00 N ATOM 0 H ASN A 35 -11.711 5.994 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.819 4.126 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.115 6.503 -8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.682 6.289 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.862 4.574 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.113 5.663 -10.388 1.00 0.00 H new ATOM 76 N ALA A 36 -9.686 2.949 -6.542 1.00 0.00 N ATOM 77 CA ALA A 36 -8.570 2.254 -5.887 1.00 0.00 C ATOM 78 C ALA A 36 -7.467 3.257 -5.523 1.00 0.00 C ATOM 79 O ALA A 36 -7.008 3.321 -4.384 1.00 0.00 O ATOM 80 CB ALA A 36 -8.023 1.189 -6.853 1.00 0.00 C ATOM 0 H ALA A 36 -9.955 2.544 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.915 1.778 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.193 0.663 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.813 0.478 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.676 1.671 -7.767 1.00 0.00 H new ATOM 86 N GLU A 37 -7.090 4.097 -6.491 1.00 0.00 N ATOM 87 CA GLU A 37 -6.210 5.242 -6.306 1.00 0.00 C ATOM 88 C GLU A 37 -6.958 6.420 -5.644 1.00 0.00 C ATOM 89 O GLU A 37 -7.167 7.479 -6.231 1.00 0.00 O ATOM 90 CB GLU A 37 -5.565 5.609 -7.645 1.00 0.00 C ATOM 91 CG GLU A 37 -4.376 6.559 -7.444 1.00 0.00 C ATOM 92 CD GLU A 37 -3.944 7.159 -8.776 1.00 0.00 C ATOM 93 OE1 GLU A 37 -4.732 7.928 -9.368 1.00 0.00 O ATOM 94 OE2 GLU A 37 -2.843 6.828 -9.263 1.00 0.00 O ATOM 0 H GLU A 37 -7.403 3.990 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.407 4.982 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.230 4.704 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.305 6.080 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.651 7.355 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.543 6.019 -6.994 1.00 0.00 H new ATOM 101 N LEU A 38 -7.420 6.184 -4.419 1.00 0.00 N ATOM 102 CA LEU A 38 -7.921 7.220 -3.519 1.00 0.00 C ATOM 103 C LEU A 38 -7.574 6.810 -2.087 1.00 0.00 C ATOM 104 O LEU A 38 -6.668 7.390 -1.492 1.00 0.00 O ATOM 105 CB LEU A 38 -9.429 7.459 -3.736 1.00 0.00 C ATOM 106 CG LEU A 38 -10.015 8.583 -2.857 1.00 0.00 C ATOM 107 CD1 LEU A 38 -9.400 9.949 -3.165 1.00 0.00 C ATOM 108 CD2 LEU A 38 -11.519 8.689 -3.093 1.00 0.00 C ATOM 0 H LEU A 38 -7.458 5.248 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.445 8.178 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.601 7.703 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.967 6.533 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.788 8.322 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.848 10.704 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.325 9.912 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.588 10.206 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.930 9.484 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.708 8.916 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.995 7.743 -2.835 1.00 0.00 H new ATOM 120 N ILE A 39 -8.188 5.738 -1.584 1.00 0.00 N ATOM 121 CA ILE A 39 -7.862 5.139 -0.280 1.00 0.00 C ATOM 122 C ILE A 39 -6.361 4.871 -0.090 1.00 0.00 C ATOM 123 O ILE A 39 -5.773 5.296 0.910 1.00 0.00 O ATOM 124 CB ILE A 39 -8.741 3.895 -0.022 1.00 0.00 C ATOM 125 CG1 ILE A 39 -8.427 3.307 1.371 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.617 2.833 -1.129 1.00 0.00 C ATOM 127 CD1 ILE A 39 -9.382 2.187 1.784 1.00 0.00 C ATOM 0 H ILE A 39 -8.938 5.251 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.102 5.876 0.486 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.782 4.219 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.406 2.924 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.471 4.105 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.257 1.984 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.924 3.264 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.582 2.499 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.105 1.819 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.402 2.570 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.321 1.372 1.063 1.00 0.00 H new ATOM 139 N VAL A 40 -5.683 4.257 -1.071 1.00 0.00 N ATOM 140 CA VAL A 40 -4.235 3.972 -0.979 1.00 0.00 C ATOM 141 C VAL A 40 -3.357 5.231 -1.068 1.00 0.00 C ATOM 142 O VAL A 40 -2.230 5.230 -0.575 1.00 0.00 O ATOM 143 CB VAL A 40 -3.769 2.951 -2.038 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.625 1.672 -2.032 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.748 3.547 -3.451 1.00 0.00 C ATOM 0 H VAL A 40 -6.112 3.945 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.104 3.541 0.014 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.749 2.686 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.258 0.985 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.561 1.196 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.663 1.928 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.413 2.790 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.751 3.879 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.065 4.396 -3.478 1.00 0.00 H new ATOM 155 N MET A 41 -3.870 6.321 -1.649 1.00 0.00 N ATOM 156 CA MET A 41 -3.135 7.582 -1.813 1.00 0.00 C ATOM 157 C MET A 41 -3.265 8.502 -0.583 1.00 0.00 C ATOM 158 O MET A 41 -2.601 9.532 -0.511 1.00 0.00 O ATOM 159 CB MET A 41 -3.576 8.261 -3.124 1.00 0.00 C ATOM 160 CG MET A 41 -2.643 9.408 -3.541 1.00 0.00 C ATOM 161 SD MET A 41 -2.933 10.073 -5.200 1.00 0.00 S ATOM 162 CE MET A 41 -1.972 8.916 -6.215 1.00 0.00 C ATOM 0 H MET A 41 -4.818 6.354 -2.023 1.00 0.00 H new ATOM 0 HA MET A 41 -2.070 7.363 -1.885 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.609 7.517 -3.920 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.589 8.647 -3.006 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.745 10.218 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.613 9.057 -3.483 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.139 9.132 -7.270 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.912 9.025 -5.986 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.287 7.895 -5.999 1.00 0.00 H new ATOM 172 N ARG A 42 -4.064 8.121 0.422 1.00 0.00 N ATOM 173 CA ARG A 42 -4.265 8.918 1.646 1.00 0.00 C ATOM 174 C ARG A 42 -3.694 8.254 2.893 1.00 0.00 C ATOM 175 O ARG A 42 -2.941 8.913 3.604 1.00 0.00 O ATOM 176 CB ARG A 42 -5.762 9.247 1.800 1.00 0.00 C ATOM 177 CG ARG A 42 -6.036 10.376 2.821 1.00 0.00 C ATOM 178 CD ARG A 42 -6.344 11.745 2.183 1.00 0.00 C ATOM 179 NE ARG A 42 -5.199 12.324 1.440 1.00 0.00 N ATOM 180 CZ ARG A 42 -4.865 13.603 1.370 1.00 0.00 C ATOM 181 NH1 ARG A 42 -5.421 14.533 2.094 1.00 0.00 N ATOM 182 NH2 ARG A 42 -3.866 13.993 0.643 1.00 0.00 N ATOM 0 H ARG A 42 -4.593 7.249 0.412 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.704 9.846 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.165 9.538 0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.295 8.348 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.876 10.084 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.169 10.479 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.190 11.638 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.648 12.441 2.965 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.607 11.669 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.156 14.291 2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.121 15.503 1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.324 13.311 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.622 14.982 0.600 1.00 0.00 H new ATOM 196 N VAL A 43 -3.972 6.967 3.160 1.00 0.00 N ATOM 197 CA VAL A 43 -3.575 6.360 4.454 1.00 0.00 C ATOM 198 C VAL A 43 -2.049 6.335 4.630 1.00 0.00 C ATOM 199 O VAL A 43 -1.523 6.780 5.646 1.00 0.00 O ATOM 200 CB VAL A 43 -4.241 4.991 4.745 1.00 0.00 C ATOM 201 CG1 VAL A 43 -5.764 5.088 4.569 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.720 3.786 3.939 1.00 0.00 C ATOM 0 H VAL A 43 -4.456 6.337 2.521 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.974 7.021 5.223 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.961 4.786 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.217 4.119 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.164 5.831 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.994 5.384 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.264 2.889 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.869 3.968 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.657 3.647 4.138 1.00 0.00 H new ATOM 212 N ILE A 44 -1.314 5.959 3.579 1.00 0.00 N ATOM 213 CA ILE A 44 0.159 5.964 3.535 1.00 0.00 C ATOM 214 C ILE A 44 0.744 7.381 3.629 1.00 0.00 C ATOM 215 O ILE A 44 1.701 7.611 4.368 1.00 0.00 O ATOM 216 CB ILE A 44 0.598 5.278 2.226 1.00 0.00 C ATOM 217 CG1 ILE A 44 0.212 3.785 2.289 1.00 0.00 C ATOM 218 CG2 ILE A 44 2.098 5.492 1.978 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.282 3.091 0.923 1.00 0.00 C ATOM 0 H ILE A 44 -1.735 5.633 2.709 1.00 0.00 H new ATOM 0 HA ILE A 44 0.540 5.422 4.401 1.00 0.00 H new ATOM 0 HB ILE A 44 0.082 5.725 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.876 3.273 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.799 3.693 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.387 5.000 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.306 6.559 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.668 5.069 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.000 2.044 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.402 3.581 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.298 3.154 0.534 1.00 0.00 H new ATOM 231 N TRP A 45 0.159 8.313 2.866 1.00 0.00 N ATOM 232 CA TRP A 45 0.548 9.730 2.811 1.00 0.00 C ATOM 233 C TRP A 45 0.368 10.417 4.169 1.00 0.00 C ATOM 234 O TRP A 45 1.121 11.319 4.528 1.00 0.00 O ATOM 235 CB TRP A 45 -0.295 10.426 1.723 1.00 0.00 C ATOM 236 CG TRP A 45 -0.288 11.931 1.726 1.00 0.00 C ATOM 237 CD1 TRP A 45 -1.162 12.711 2.406 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.627 12.855 1.056 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.835 14.042 2.240 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.271 14.188 1.428 1.00 0.00 C ATOM 241 CE3 TRP A 45 1.725 12.707 0.179 1.00 0.00 C ATOM 242 CZ2 TRP A 45 0.989 15.312 0.990 1.00 0.00 C ATOM 243 CZ3 TRP A 45 2.438 13.830 -0.288 1.00 0.00 C ATOM 244 CH2 TRP A 45 2.083 15.127 0.125 1.00 0.00 C ATOM 0 H TRP A 45 -0.624 8.095 2.249 1.00 0.00 H new ATOM 0 HA TRP A 45 1.607 9.803 2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.057 10.085 0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.327 10.090 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.992 12.346 2.992 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.345 14.817 2.663 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.023 11.719 -0.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.706 16.303 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.265 13.693 -0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.649 15.979 -0.221 1.00 0.00 H new ATOM 255 N SER A 46 -0.641 9.978 4.916 1.00 0.00 N ATOM 256 CA SER A 46 -0.978 10.550 6.230 1.00 0.00 C ATOM 257 C SER A 46 -0.103 10.006 7.361 1.00 0.00 C ATOM 258 O SER A 46 0.108 10.688 8.360 1.00 0.00 O ATOM 259 CB SER A 46 -2.457 10.336 6.563 1.00 0.00 C ATOM 260 OG SER A 46 -2.866 11.365 7.454 1.00 0.00 O ATOM 0 H SER A 46 -1.254 9.214 4.632 1.00 0.00 H new ATOM 0 HA SER A 46 -0.778 11.619 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.058 10.359 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.606 9.357 7.019 1.00 0.00 H new ATOM 0 HG SER A 46 -3.813 11.246 7.678 1.00 0.00 H new ATOM 266 N LEU A 47 0.372 8.768 7.218 1.00 0.00 N ATOM 267 CA LEU A 47 1.361 8.126 8.072 1.00 0.00 C ATOM 268 C LEU A 47 2.780 8.666 7.837 1.00 0.00 C ATOM 269 O LEU A 47 3.311 9.472 8.600 1.00 0.00 O ATOM 270 CB LEU A 47 1.221 6.608 7.796 1.00 0.00 C ATOM 271 CG LEU A 47 0.162 5.989 8.723 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.417 4.673 8.201 1.00 0.00 C ATOM 273 CD2 LEU A 47 0.867 5.741 10.046 1.00 0.00 C ATOM 0 H LEU A 47 0.058 8.158 6.463 1.00 0.00 H new ATOM 0 HA LEU A 47 1.184 8.341 9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.942 6.446 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.181 6.114 7.949 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.686 6.669 8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.157 4.296 8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.891 4.842 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.384 3.942 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.166 5.299 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.704 5.060 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.237 6.686 10.444 1.00 0.00 H new ATOM 285 N GLY A 48 3.393 8.144 6.782 1.00 0.00 N ATOM 286 CA GLY A 48 4.731 8.471 6.273 1.00 0.00 C ATOM 287 C GLY A 48 5.571 7.235 5.930 1.00 0.00 C ATOM 288 O GLY A 48 6.480 7.290 5.111 1.00 0.00 O ATOM 0 H GLY A 48 2.940 7.428 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.631 9.092 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.260 9.065 7.018 1.00 0.00 H new ATOM 292 N GLU A 49 5.267 6.105 6.573 1.00 0.00 N ATOM 293 CA GLU A 49 5.886 4.788 6.456 1.00 0.00 C ATOM 294 C GLU A 49 4.847 3.809 7.015 1.00 0.00 C ATOM 295 O GLU A 49 4.456 3.939 8.178 1.00 0.00 O ATOM 296 CB GLU A 49 7.181 4.782 7.297 1.00 0.00 C ATOM 297 CG GLU A 49 7.759 3.398 7.644 1.00 0.00 C ATOM 298 CD GLU A 49 8.115 3.151 9.126 1.00 0.00 C ATOM 299 OE1 GLU A 49 8.106 4.107 9.935 1.00 0.00 O ATOM 300 OE2 GLU A 49 8.316 1.976 9.514 1.00 0.00 O ATOM 0 H GLU A 49 4.507 6.091 7.254 1.00 0.00 H new ATOM 0 HA GLU A 49 6.157 4.520 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.942 5.346 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.988 5.316 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.038 2.640 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.658 3.245 7.047 1.00 0.00 H new ATOM 307 N ALA A 50 4.362 2.889 6.173 1.00 0.00 N ATOM 308 CA ALA A 50 3.437 1.827 6.568 1.00 0.00 C ATOM 309 C ALA A 50 3.911 0.462 6.051 1.00 0.00 C ATOM 310 O ALA A 50 4.690 0.393 5.106 1.00 0.00 O ATOM 311 CB ALA A 50 2.028 2.125 6.045 1.00 0.00 C ATOM 0 H ALA A 50 4.607 2.863 5.183 1.00 0.00 H new ATOM 0 HA ALA A 50 3.412 1.791 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.351 1.326 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.679 3.071 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.050 2.190 4.957 1.00 0.00 H new ATOM 317 N ARG A 51 3.450 -0.635 6.643 1.00 0.00 N ATOM 318 CA ARG A 51 3.923 -1.994 6.306 1.00 0.00 C ATOM 319 C ARG A 51 2.859 -2.659 5.420 1.00 0.00 C ATOM 320 O ARG A 51 1.719 -2.222 5.407 1.00 0.00 O ATOM 321 CB ARG A 51 4.267 -2.780 7.596 1.00 0.00 C ATOM 322 CG ARG A 51 5.373 -2.146 8.487 1.00 0.00 C ATOM 323 CD ARG A 51 4.872 -0.923 9.273 1.00 0.00 C ATOM 324 NE ARG A 51 5.835 -0.253 10.142 1.00 0.00 N ATOM 325 CZ ARG A 51 5.509 0.728 10.967 1.00 0.00 C ATOM 326 NH1 ARG A 51 4.283 1.066 11.274 1.00 0.00 N ATOM 327 NH2 ARG A 51 6.442 1.488 11.447 1.00 0.00 N ATOM 0 H ARG A 51 2.737 -0.618 7.372 1.00 0.00 H new ATOM 0 HA ARG A 51 4.853 -1.970 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.360 -2.884 8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.581 -3.785 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.745 -2.895 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.214 -1.850 7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.495 -0.192 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.026 -1.237 9.884 1.00 0.00 H new ATOM 0 HE ARG A 51 6.808 -0.557 10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.497 0.559 10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.113 1.837 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.415 1.326 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.203 2.248 12.084 1.00 0.00 H new ATOM 341 N VAL A 52 3.176 -3.709 4.658 1.00 0.00 N ATOM 342 CA VAL A 52 2.218 -4.344 3.730 1.00 0.00 C ATOM 343 C VAL A 52 0.943 -4.839 4.388 1.00 0.00 C ATOM 344 O VAL A 52 -0.145 -4.677 3.853 1.00 0.00 O ATOM 345 CB VAL A 52 2.835 -5.436 2.841 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.234 -5.828 3.295 1.00 0.00 C ATOM 347 CG2 VAL A 52 1.977 -6.686 2.696 1.00 0.00 C ATOM 0 H VAL A 52 4.098 -4.146 4.662 1.00 0.00 H new ATOM 0 HA VAL A 52 1.933 -3.521 3.074 1.00 0.00 H new ATOM 0 HB VAL A 52 2.892 -4.972 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.627 -6.602 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.886 -4.955 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.192 -6.208 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.486 -7.404 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.812 -7.130 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.018 -6.419 2.253 1.00 0.00 H new ATOM 357 N ASP A 53 1.075 -5.485 5.530 1.00 0.00 N ATOM 358 CA ASP A 53 -0.015 -5.933 6.347 1.00 0.00 C ATOM 359 C ASP A 53 -0.724 -4.771 7.088 1.00 0.00 C ATOM 360 O ASP A 53 -1.882 -4.908 7.475 1.00 0.00 O ATOM 361 CB ASP A 53 0.463 -7.140 7.166 1.00 0.00 C ATOM 362 CG ASP A 53 1.651 -6.892 8.114 1.00 0.00 C ATOM 363 OD1 ASP A 53 2.686 -6.342 7.652 1.00 0.00 O ATOM 364 OD2 ASP A 53 1.586 -7.385 9.271 1.00 0.00 O ATOM 0 H ASP A 53 1.987 -5.718 5.923 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.846 -6.306 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.376 -7.507 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.737 -7.936 6.474 1.00 0.00 H new ATOM 369 N GLU A 54 -0.068 -3.614 7.255 1.00 0.00 N ATOM 370 CA GLU A 54 -0.663 -2.405 7.809 1.00 0.00 C ATOM 371 C GLU A 54 -1.491 -1.607 6.784 1.00 0.00 C ATOM 372 O GLU A 54 -2.597 -1.174 7.087 1.00 0.00 O ATOM 373 CB GLU A 54 0.490 -1.604 8.387 1.00 0.00 C ATOM 374 CG GLU A 54 0.047 -0.383 9.175 1.00 0.00 C ATOM 375 CD GLU A 54 1.274 0.247 9.835 1.00 0.00 C ATOM 376 OE1 GLU A 54 2.298 0.388 9.141 1.00 0.00 O ATOM 377 OE2 GLU A 54 1.281 0.507 11.052 1.00 0.00 O ATOM 0 H GLU A 54 0.913 -3.497 7.001 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.393 -2.655 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.081 -2.250 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.143 -1.285 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.438 0.336 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.685 -0.667 9.931 1.00 0.00 H new ATOM 384 N ILE A 55 -0.973 -1.413 5.561 1.00 0.00 N ATOM 385 CA ILE A 55 -1.720 -0.771 4.455 1.00 0.00 C ATOM 386 C ILE A 55 -2.988 -1.564 4.162 1.00 0.00 C ATOM 387 O ILE A 55 -4.050 -0.971 4.034 1.00 0.00 O ATOM 388 CB ILE A 55 -0.919 -0.597 3.140 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.338 -1.960 2.731 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.280 0.345 3.374 1.00 0.00 C ATOM 391 CD1 ILE A 55 0.692 -1.940 1.633 1.00 0.00 C ATOM 0 H ILE A 55 -0.026 -1.694 5.306 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.946 0.236 4.807 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.583 -0.193 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.109 -2.420 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.160 -2.603 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.838 0.462 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.081 1.319 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.932 -0.079 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.028 -2.957 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.253 -1.517 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.542 -1.331 1.942 1.00 0.00 H new ATOM 403 N TYR A 56 -2.878 -2.892 4.157 1.00 0.00 N ATOM 404 CA TYR A 56 -3.974 -3.825 4.026 1.00 0.00 C ATOM 405 C TYR A 56 -4.996 -3.707 5.151 1.00 0.00 C ATOM 406 O TYR A 56 -6.200 -3.799 4.919 1.00 0.00 O ATOM 407 CB TYR A 56 -3.323 -5.198 4.037 1.00 0.00 C ATOM 408 CG TYR A 56 -4.290 -6.334 3.857 1.00 0.00 C ATOM 409 CD1 TYR A 56 -4.943 -6.477 2.627 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.520 -7.240 4.904 1.00 0.00 C ATOM 411 CE1 TYR A 56 -5.931 -7.466 2.474 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.469 -8.266 4.739 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.186 -8.372 3.525 1.00 0.00 C ATOM 414 OH TYR A 56 -7.031 -9.412 3.321 1.00 0.00 O ATOM 0 H TYR A 56 -1.976 -3.359 4.249 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.537 -3.628 3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.576 -5.241 3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.794 -5.331 4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.689 -5.831 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.972 -7.150 5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.493 -7.532 1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.649 -8.971 5.538 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.099 -9.944 4.141 1.00 0.00 H new ATOM 424 N ALA A 57 -4.525 -3.437 6.368 1.00 0.00 N ATOM 425 CA ALA A 57 -5.410 -3.283 7.522 1.00 0.00 C ATOM 426 C ALA A 57 -6.313 -2.042 7.426 1.00 0.00 C ATOM 427 O ALA A 57 -7.357 -1.997 8.076 1.00 0.00 O ATOM 428 CB ALA A 57 -4.564 -3.246 8.791 1.00 0.00 C ATOM 0 H ALA A 57 -3.534 -3.320 6.580 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.085 -4.139 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.214 -3.131 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.001 -4.175 8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.872 -2.405 8.743 1.00 0.00 H new ATOM 434 N GLN A 58 -5.949 -1.053 6.595 1.00 0.00 N ATOM 435 CA GLN A 58 -6.786 0.122 6.414 1.00 0.00 C ATOM 436 C GLN A 58 -7.934 -0.127 5.410 1.00 0.00 C ATOM 437 O GLN A 58 -8.858 0.676 5.308 1.00 0.00 O ATOM 438 CB GLN A 58 -5.867 1.247 5.913 1.00 0.00 C ATOM 439 CG GLN A 58 -5.401 2.257 6.960 1.00 0.00 C ATOM 440 CD GLN A 58 -5.065 1.695 8.331 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.563 2.148 9.348 1.00 0.00 O ATOM 442 NE2 GLN A 58 -4.194 0.726 8.441 1.00 0.00 N ATOM 0 H GLN A 58 -5.088 -1.051 6.047 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.264 0.385 7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.986 0.793 5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.388 1.788 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.519 2.769 6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.180 3.010 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.763 0.330 7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.945 0.366 9.362 1.00 0.00 H new ATOM 451 N ILE A 59 -7.834 -1.192 4.611 1.00 0.00 N ATOM 452 CA ILE A 59 -8.689 -1.458 3.439 1.00 0.00 C ATOM 453 C ILE A 59 -10.036 -2.134 3.816 1.00 0.00 C ATOM 454 O ILE A 59 -10.047 -3.216 4.413 1.00 0.00 O ATOM 455 CB ILE A 59 -7.864 -2.253 2.404 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.714 -1.334 1.922 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.684 -2.728 1.203 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.759 -1.960 0.914 1.00 0.00 C ATOM 0 H ILE A 59 -7.135 -1.919 4.762 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.992 -0.513 2.988 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.492 -3.157 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.149 -0.438 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.140 -1.013 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.040 -3.279 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.489 -3.378 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.108 -1.866 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.992 -1.235 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.288 -2.838 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.313 -2.255 0.023 1.00 0.00 H new ATOM 470 N PRO A 60 -11.190 -1.529 3.448 1.00 0.00 N ATOM 471 CA PRO A 60 -12.522 -2.051 3.751 1.00 0.00 C ATOM 472 C PRO A 60 -12.957 -3.185 2.812 1.00 0.00 C ATOM 473 O PRO A 60 -12.410 -3.390 1.726 1.00 0.00 O ATOM 474 CB PRO A 60 -13.458 -0.841 3.620 1.00 0.00 C ATOM 475 CG PRO A 60 -12.813 -0.037 2.497 1.00 0.00 C ATOM 476 CD PRO A 60 -11.324 -0.254 2.756 1.00 0.00 C ATOM 0 HA PRO A 60 -12.542 -2.498 4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.475 -1.142 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.513 -0.270 4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.112 -0.400 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.085 1.018 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.768 -0.264 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.916 0.557 3.360 1.00 0.00 H new ATOM 484 N GLN A 61 -14.013 -3.897 3.222 1.00 0.00 N ATOM 485 CA GLN A 61 -14.514 -5.099 2.558 1.00 0.00 C ATOM 486 C GLN A 61 -15.464 -4.818 1.364 1.00 0.00 C ATOM 487 O GLN A 61 -15.555 -5.661 0.480 1.00 0.00 O ATOM 488 CB GLN A 61 -15.139 -5.986 3.653 1.00 0.00 C ATOM 489 CG GLN A 61 -15.261 -7.469 3.280 1.00 0.00 C ATOM 490 CD GLN A 61 -16.485 -7.799 2.417 1.00 0.00 C ATOM 491 OE1 GLN A 61 -17.542 -7.214 2.561 1.00 0.00 O ATOM 492 NE2 GLN A 61 -16.360 -8.734 1.516 1.00 0.00 N ATOM 0 H GLN A 61 -14.555 -3.643 4.048 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.689 -5.622 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.538 -5.901 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.131 -5.602 3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.361 -7.774 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.305 -8.060 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.469 -9.218 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.153 -8.981 0.924 1.00 0.00 H new ATOM 501 N GLU A 62 -16.042 -3.614 1.254 1.00 0.00 N ATOM 502 CA GLU A 62 -16.929 -3.172 0.139 1.00 0.00 C ATOM 503 C GLU A 62 -16.348 -3.359 -1.280 1.00 0.00 C ATOM 504 O GLU A 62 -17.085 -3.377 -2.266 1.00 0.00 O ATOM 505 CB GLU A 62 -17.244 -1.669 0.290 1.00 0.00 C ATOM 506 CG GLU A 62 -18.135 -1.323 1.483 1.00 0.00 C ATOM 507 CD GLU A 62 -18.447 0.185 1.520 1.00 0.00 C ATOM 508 OE1 GLU A 62 -19.410 0.626 0.847 1.00 0.00 O ATOM 509 OE2 GLU A 62 -17.724 0.912 2.238 1.00 0.00 O ATOM 0 H GLU A 62 -15.908 -2.887 1.957 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.808 -3.811 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.306 -1.122 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.728 -1.319 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.065 -1.889 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.641 -1.619 2.408 1.00 0.00 H new ATOM 516 N LEU A 63 -15.022 -3.461 -1.364 1.00 0.00 N ATOM 517 CA LEU A 63 -14.205 -3.595 -2.574 1.00 0.00 C ATOM 518 C LEU A 63 -14.092 -5.023 -3.103 1.00 0.00 C ATOM 519 O LEU A 63 -13.776 -5.244 -4.269 1.00 0.00 O ATOM 520 CB LEU A 63 -12.798 -3.114 -2.208 1.00 0.00 C ATOM 521 CG LEU A 63 -12.751 -1.697 -1.621 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.315 -1.390 -1.248 1.00 0.00 C ATOM 523 CD2 LEU A 63 -13.281 -0.702 -2.636 1.00 0.00 C ATOM 0 H LEU A 63 -14.444 -3.452 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.683 -3.013 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.365 -3.808 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.171 -3.147 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.378 -1.625 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.255 -0.386 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.968 -2.114 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.688 -1.449 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.245 0.302 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.668 -0.739 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.311 -0.953 -2.888 1.00 0.00 H new ATOM 535 N GLU A 64 -14.339 -5.979 -2.212 1.00 0.00 N ATOM 536 CA GLU A 64 -14.323 -7.437 -2.437 1.00 0.00 C ATOM 537 C GLU A 64 -12.902 -7.971 -2.766 1.00 0.00 C ATOM 538 O GLU A 64 -12.706 -8.809 -3.648 1.00 0.00 O ATOM 539 CB GLU A 64 -15.421 -7.868 -3.443 1.00 0.00 C ATOM 540 CG GLU A 64 -16.847 -7.442 -3.032 1.00 0.00 C ATOM 541 CD GLU A 64 -17.925 -7.989 -3.991 1.00 0.00 C ATOM 542 OE1 GLU A 64 -18.046 -9.234 -4.079 1.00 0.00 O ATOM 543 OE2 GLU A 64 -18.657 -7.176 -4.618 1.00 0.00 O ATOM 0 H GLU A 64 -14.572 -5.749 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.583 -7.923 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.192 -7.442 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.394 -8.952 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.051 -7.795 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.905 -6.354 -3.007 1.00 0.00 H new ATOM 550 N TRP A 65 -11.889 -7.447 -2.061 1.00 0.00 N ATOM 551 CA TRP A 65 -10.458 -7.720 -2.294 1.00 0.00 C ATOM 552 C TRP A 65 -9.826 -8.717 -1.302 1.00 0.00 C ATOM 553 O TRP A 65 -10.442 -9.169 -0.340 1.00 0.00 O ATOM 554 CB TRP A 65 -9.685 -6.388 -2.274 1.00 0.00 C ATOM 555 CG TRP A 65 -9.949 -5.415 -3.382 1.00 0.00 C ATOM 556 CD1 TRP A 65 -10.804 -5.578 -4.416 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.367 -4.086 -3.556 1.00 0.00 C ATOM 558 NE1 TRP A 65 -10.831 -4.431 -5.183 1.00 0.00 N ATOM 559 CE2 TRP A 65 -9.978 -3.471 -4.690 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.407 -3.324 -2.850 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.691 -2.156 -5.077 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.100 -2.011 -3.241 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.748 -1.423 -4.340 1.00 0.00 C ATOM 0 H TRP A 65 -12.045 -6.801 -1.288 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.388 -8.203 -3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.901 -5.888 -1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.620 -6.618 -2.276 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.379 -6.471 -4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.412 -4.310 -6.013 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.903 -3.758 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.187 -1.713 -5.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.359 -1.448 -2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.520 -0.405 -4.618 1.00 0.00 H new ATOM 574 N SER A 66 -8.548 -9.038 -1.535 1.00 0.00 N ATOM 575 CA SER A 66 -7.676 -9.890 -0.718 1.00 0.00 C ATOM 576 C SER A 66 -6.269 -9.279 -0.621 1.00 0.00 C ATOM 577 O SER A 66 -5.938 -8.365 -1.385 1.00 0.00 O ATOM 578 CB SER A 66 -7.627 -11.266 -1.383 1.00 0.00 C ATOM 579 OG SER A 66 -6.775 -12.173 -0.704 1.00 0.00 O ATOM 0 H SER A 66 -8.061 -8.684 -2.358 1.00 0.00 H new ATOM 0 HA SER A 66 -8.062 -9.976 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.634 -11.681 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.286 -11.155 -2.412 1.00 0.00 H new ATOM 0 HG SER A 66 -6.780 -13.036 -1.168 1.00 0.00 H new ATOM 585 N LEU A 67 -5.413 -9.776 0.286 1.00 0.00 N ATOM 586 CA LEU A 67 -4.047 -9.316 0.498 1.00 0.00 C ATOM 587 C LEU A 67 -3.166 -9.260 -0.750 1.00 0.00 C ATOM 588 O LEU A 67 -2.287 -8.403 -0.840 1.00 0.00 O ATOM 589 CB LEU A 67 -3.381 -10.179 1.578 1.00 0.00 C ATOM 590 CG LEU A 67 -2.722 -9.386 2.712 1.00 0.00 C ATOM 591 CD1 LEU A 67 -1.724 -10.278 3.402 1.00 0.00 C ATOM 592 CD2 LEU A 67 -1.966 -8.139 2.288 1.00 0.00 C ATOM 0 H LEU A 67 -5.671 -10.539 0.912 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.137 -8.277 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.131 -10.845 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.627 -10.809 1.107 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.547 -9.060 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.245 -9.729 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.236 -11.151 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.968 -10.600 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.540 -7.655 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.165 -8.415 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.649 -7.451 1.790 1.00 0.00 H new ATOM 604 N ALA A 68 -3.379 -10.137 -1.729 1.00 0.00 N ATOM 605 CA ALA A 68 -2.637 -10.038 -2.978 1.00 0.00 C ATOM 606 C ALA A 68 -2.967 -8.726 -3.731 1.00 0.00 C ATOM 607 O ALA A 68 -2.066 -8.081 -4.275 1.00 0.00 O ATOM 608 CB ALA A 68 -2.938 -11.278 -3.830 1.00 0.00 C ATOM 0 H ALA A 68 -4.045 -10.908 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.569 -10.005 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.388 -11.216 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.633 -12.174 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.007 -11.326 -4.038 1.00 0.00 H new ATOM 614 N THR A 69 -4.242 -8.297 -3.716 1.00 0.00 N ATOM 615 CA THR A 69 -4.741 -7.163 -4.511 1.00 0.00 C ATOM 616 C THR A 69 -4.041 -5.863 -4.154 1.00 0.00 C ATOM 617 O THR A 69 -3.627 -5.130 -5.049 1.00 0.00 O ATOM 618 CB THR A 69 -6.252 -6.938 -4.351 1.00 0.00 C ATOM 619 OG1 THR A 69 -6.944 -8.124 -4.656 1.00 0.00 O ATOM 620 CG2 THR A 69 -6.757 -5.837 -5.288 1.00 0.00 C ATOM 0 H THR A 69 -4.963 -8.735 -3.143 1.00 0.00 H new ATOM 0 HA THR A 69 -4.525 -7.436 -5.544 1.00 0.00 H new ATOM 0 HB THR A 69 -6.431 -6.638 -3.318 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.907 -7.977 -4.551 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.830 -5.704 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.243 -4.903 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.558 -6.119 -6.322 1.00 0.00 H new ATOM 628 N VAL A 70 -3.879 -5.565 -2.864 1.00 0.00 N ATOM 629 CA VAL A 70 -3.216 -4.326 -2.485 1.00 0.00 C ATOM 630 C VAL A 70 -1.789 -4.267 -3.038 1.00 0.00 C ATOM 631 O VAL A 70 -1.389 -3.246 -3.580 1.00 0.00 O ATOM 632 CB VAL A 70 -3.324 -4.084 -0.970 1.00 0.00 C ATOM 633 CG1 VAL A 70 -2.648 -5.145 -0.102 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.697 -2.735 -0.660 1.00 0.00 C ATOM 0 H VAL A 70 -4.189 -6.148 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.735 -3.488 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.385 -4.126 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.776 -4.890 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.100 -6.117 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.585 -5.185 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.762 -2.541 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.651 -2.741 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.228 -1.953 -1.203 1.00 0.00 H new ATOM 644 N LYS A 71 -1.044 -5.374 -3.010 1.00 0.00 N ATOM 645 CA LYS A 71 0.351 -5.480 -3.485 1.00 0.00 C ATOM 646 C LYS A 71 0.488 -5.229 -4.993 1.00 0.00 C ATOM 647 O LYS A 71 1.365 -4.480 -5.417 1.00 0.00 O ATOM 648 CB LYS A 71 0.925 -6.854 -3.090 1.00 0.00 C ATOM 649 CG LYS A 71 0.757 -7.133 -1.591 1.00 0.00 C ATOM 650 CD LYS A 71 1.337 -8.497 -1.205 1.00 0.00 C ATOM 651 CE LYS A 71 0.898 -8.910 0.213 1.00 0.00 C ATOM 652 NZ LYS A 71 1.887 -9.829 0.853 1.00 0.00 N ATOM 0 H LYS A 71 -1.401 -6.257 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 71 0.929 -4.693 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.425 -7.635 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.983 -6.895 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.252 -6.350 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.301 -7.099 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.011 -9.250 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.425 -8.459 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.777 -8.020 0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.075 -9.399 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.557 -10.085 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.984 -10.690 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.809 -9.353 0.922 1.00 0.00 H new ATOM 666 N THR A 72 -0.426 -5.773 -5.799 1.00 0.00 N ATOM 667 CA THR A 72 -0.497 -5.478 -7.257 1.00 0.00 C ATOM 668 C THR A 72 -0.973 -4.049 -7.602 1.00 0.00 C ATOM 669 O THR A 72 -0.599 -3.514 -8.647 1.00 0.00 O ATOM 670 CB THR A 72 -1.310 -6.529 -8.035 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.406 -6.228 -9.412 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.733 -6.680 -7.527 1.00 0.00 C ATOM 0 H THR A 72 -1.139 -6.427 -5.476 1.00 0.00 H new ATOM 0 HA THR A 72 0.540 -5.536 -7.587 1.00 0.00 H new ATOM 0 HB THR A 72 -0.756 -7.454 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.929 -6.923 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.252 -7.435 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.715 -6.986 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.255 -5.727 -7.618 1.00 0.00 H new ATOM 680 N LEU A 73 -1.759 -3.402 -6.736 1.00 0.00 N ATOM 681 CA LEU A 73 -2.245 -2.030 -6.903 1.00 0.00 C ATOM 682 C LEU A 73 -1.111 -1.046 -6.550 1.00 0.00 C ATOM 683 O LEU A 73 -0.713 -0.191 -7.351 1.00 0.00 O ATOM 684 CB LEU A 73 -3.472 -1.973 -5.972 1.00 0.00 C ATOM 685 CG LEU A 73 -4.408 -0.762 -6.014 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.373 -0.909 -4.837 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.670 0.553 -5.869 1.00 0.00 C ATOM 0 H LEU A 73 -2.085 -3.834 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.535 -1.750 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.076 -2.857 -6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.108 -2.066 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.913 -0.741 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.063 -0.065 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.936 -1.837 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.809 -0.930 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.383 1.376 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.143 0.571 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.952 0.659 -6.682 1.00 0.00 H new ATOM 699 N LEU A 74 -0.476 -1.277 -5.395 1.00 0.00 N ATOM 700 CA LEU A 74 0.759 -0.620 -4.972 1.00 0.00 C ATOM 701 C LEU A 74 1.785 -0.689 -6.075 1.00 0.00 C ATOM 702 O LEU A 74 2.309 0.328 -6.477 1.00 0.00 O ATOM 703 CB LEU A 74 1.377 -1.375 -3.793 1.00 0.00 C ATOM 704 CG LEU A 74 0.710 -1.135 -2.457 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.354 -2.094 -1.457 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.882 0.316 -2.043 1.00 0.00 C ATOM 0 H LEU A 74 -0.821 -1.949 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 74 0.510 0.409 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.347 -2.443 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.427 -1.095 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.363 -1.321 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.901 -1.954 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.198 -3.121 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.423 -1.891 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.398 0.479 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.944 0.547 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.427 0.964 -2.792 1.00 0.00 H new ATOM 718 N GLY A 75 1.989 -1.893 -6.578 1.00 0.00 N ATOM 719 CA GLY A 75 2.903 -2.218 -7.677 1.00 0.00 C ATOM 720 C GLY A 75 2.687 -1.358 -8.924 1.00 0.00 C ATOM 721 O GLY A 75 3.646 -1.111 -9.655 1.00 0.00 O ATOM 0 H GLY A 75 1.503 -2.715 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.930 -2.095 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.780 -3.268 -7.943 1.00 0.00 H new ATOM 725 N ARG A 76 1.468 -0.838 -9.125 1.00 0.00 N ATOM 726 CA ARG A 76 1.189 0.180 -10.154 1.00 0.00 C ATOM 727 C ARG A 76 1.662 1.538 -9.669 1.00 0.00 C ATOM 728 O ARG A 76 2.383 2.206 -10.406 1.00 0.00 O ATOM 729 CB ARG A 76 -0.302 0.290 -10.510 1.00 0.00 C ATOM 730 CG ARG A 76 -0.912 -0.941 -11.194 1.00 0.00 C ATOM 731 CD ARG A 76 -2.443 -0.825 -11.098 1.00 0.00 C ATOM 732 NE ARG A 76 -3.177 -1.633 -12.086 1.00 0.00 N ATOM 733 CZ ARG A 76 -3.269 -2.944 -12.194 1.00 0.00 C ATOM 734 NH1 ARG A 76 -2.501 -3.762 -11.527 1.00 0.00 N ATOM 735 NH2 ARG A 76 -4.161 -3.443 -12.995 1.00 0.00 N ATOM 0 H ARG A 76 0.648 -1.109 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 76 1.724 -0.134 -11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.862 0.491 -9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.439 1.152 -11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.598 -0.993 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.568 -1.856 -10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.756 -1.124 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.724 0.221 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.689 -1.101 -12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.794 -3.393 -10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.608 -4.770 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.773 -2.824 -13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.249 -4.454 -13.094 1.00 0.00 H new ATOM 749 N LEU A 77 1.290 1.939 -8.443 1.00 0.00 N ATOM 750 CA LEU A 77 1.750 3.235 -7.916 1.00 0.00 C ATOM 751 C LEU A 77 3.276 3.377 -7.968 1.00 0.00 C ATOM 752 O LEU A 77 3.810 4.399 -8.391 1.00 0.00 O ATOM 753 CB LEU A 77 1.306 3.423 -6.456 1.00 0.00 C ATOM 754 CG LEU A 77 -0.076 2.897 -6.091 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.289 3.132 -4.609 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.142 3.540 -6.956 1.00 0.00 C ATOM 0 H LEU A 77 0.691 1.404 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 77 1.299 3.995 -8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.037 2.935 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.337 4.488 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.150 1.827 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.273 2.764 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.477 2.602 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.224 4.199 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.121 3.149 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.127 4.620 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.946 3.314 -8.004 1.00 0.00 H new ATOM 768 N VAL A 78 3.952 2.341 -7.473 1.00 0.00 N ATOM 769 CA VAL A 78 5.414 2.360 -7.259 1.00 0.00 C ATOM 770 C VAL A 78 6.229 2.291 -8.556 1.00 0.00 C ATOM 771 O VAL A 78 7.281 2.920 -8.642 1.00 0.00 O ATOM 772 CB VAL A 78 5.955 1.423 -6.139 1.00 0.00 C ATOM 773 CG1 VAL A 78 4.920 0.951 -5.103 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.676 0.165 -6.626 1.00 0.00 C ATOM 0 H VAL A 78 3.510 1.461 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 78 5.581 3.356 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 78 6.664 2.104 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.406 0.305 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.492 1.816 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.128 0.397 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.012 -0.417 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.993 -0.436 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.537 0.450 -7.231 1.00 0.00 H new ATOM 784 N LYS A 79 5.760 1.606 -9.616 1.00 0.00 N ATOM 785 CA LYS A 79 6.407 1.701 -10.948 1.00 0.00 C ATOM 786 C LYS A 79 6.229 3.090 -11.583 1.00 0.00 C ATOM 787 O LYS A 79 7.162 3.614 -12.196 1.00 0.00 O ATOM 788 CB LYS A 79 5.892 0.605 -11.911 1.00 0.00 C ATOM 789 CG LYS A 79 6.897 -0.521 -12.133 1.00 0.00 C ATOM 790 CD LYS A 79 7.176 -1.391 -10.902 1.00 0.00 C ATOM 791 CE LYS A 79 6.088 -2.466 -10.812 1.00 0.00 C ATOM 792 NZ LYS A 79 6.538 -3.786 -11.326 1.00 0.00 N ATOM 0 H LYS A 79 4.949 0.989 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 79 7.473 1.543 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.968 0.185 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.648 1.060 -12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.532 -1.161 -12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.837 -0.087 -12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.160 -1.853 -10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.181 -0.780 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.775 -2.573 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.214 -2.140 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.763 -4.474 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.812 -3.695 -12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.355 -4.114 -10.772 1.00 0.00 H new ATOM 806 N LYS A 80 5.048 3.691 -11.404 1.00 0.00 N ATOM 807 CA LYS A 80 4.594 4.959 -12.022 1.00 0.00 C ATOM 808 C LYS A 80 4.891 6.215 -11.165 1.00 0.00 C ATOM 809 O LYS A 80 4.122 7.168 -11.201 1.00 0.00 O ATOM 810 CB LYS A 80 3.089 4.819 -12.356 1.00 0.00 C ATOM 811 CG LYS A 80 2.623 5.569 -13.627 1.00 0.00 C ATOM 812 CD LYS A 80 3.016 4.824 -14.920 1.00 0.00 C ATOM 813 CE LYS A 80 2.592 5.516 -16.229 1.00 0.00 C ATOM 814 NZ LYS A 80 1.122 5.521 -16.463 1.00 0.00 N ATOM 0 H LYS A 80 4.338 3.290 -10.791 1.00 0.00 H new ATOM 0 HA LYS A 80 5.167 5.123 -12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.856 3.761 -12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.510 5.181 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.541 5.694 -13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.059 6.568 -13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.098 4.693 -14.931 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.575 3.828 -14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.951 6.545 -16.217 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.081 5.018 -17.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.915 6.003 -17.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.774 4.542 -16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.648 6.022 -15.684 1.00 0.00 H new ATOM 828 N GLU A 81 5.973 6.178 -10.382 1.00 0.00 N ATOM 829 CA GLU A 81 6.507 7.234 -9.488 1.00 0.00 C ATOM 830 C GLU A 81 5.487 8.009 -8.619 1.00 0.00 C ATOM 831 O GLU A 81 5.665 9.203 -8.368 1.00 0.00 O ATOM 832 CB GLU A 81 7.488 8.169 -10.241 1.00 0.00 C ATOM 833 CG GLU A 81 8.764 7.464 -10.734 1.00 0.00 C ATOM 834 CD GLU A 81 9.899 8.466 -11.032 1.00 0.00 C ATOM 835 OE1 GLU A 81 9.980 8.959 -12.188 1.00 0.00 O ATOM 836 OE2 GLU A 81 10.738 8.725 -10.130 1.00 0.00 O ATOM 0 H GLU A 81 6.554 5.341 -10.347 1.00 0.00 H new ATOM 0 HA GLU A 81 7.060 6.674 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.973 8.608 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.770 8.991 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.098 6.751 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.538 6.893 -11.635 1.00 0.00 H new ATOM 843 N MET A 82 4.419 7.361 -8.123 1.00 0.00 N ATOM 844 CA MET A 82 3.564 7.968 -7.100 1.00 0.00 C ATOM 845 C MET A 82 4.155 7.697 -5.716 1.00 0.00 C ATOM 846 O MET A 82 4.299 8.602 -4.897 1.00 0.00 O ATOM 847 CB MET A 82 2.152 7.371 -7.161 1.00 0.00 C ATOM 848 CG MET A 82 1.429 7.620 -8.480 1.00 0.00 C ATOM 849 SD MET A 82 0.941 9.344 -8.769 1.00 0.00 S ATOM 850 CE MET A 82 2.304 9.894 -9.836 1.00 0.00 C ATOM 0 H MET A 82 4.133 6.426 -8.413 1.00 0.00 H new ATOM 0 HA MET A 82 3.509 9.041 -7.283 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.216 6.296 -6.991 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.557 7.788 -6.348 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.074 7.298 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.537 6.995 -8.512 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.573 10.920 -9.583 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.167 9.245 -9.687 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.991 9.848 -10.879 1.00 0.00 H new ATOM 860 N LEU A 83 4.457 6.420 -5.456 1.00 0.00 N ATOM 861 CA LEU A 83 4.957 5.898 -4.173 1.00 0.00 C ATOM 862 C LEU A 83 6.292 5.160 -4.340 1.00 0.00 C ATOM 863 O LEU A 83 6.677 4.804 -5.451 1.00 0.00 O ATOM 864 CB LEU A 83 3.941 4.914 -3.531 1.00 0.00 C ATOM 865 CG LEU A 83 2.496 5.382 -3.276 1.00 0.00 C ATOM 866 CD1 LEU A 83 1.865 4.565 -2.146 1.00 0.00 C ATOM 867 CD2 LEU A 83 2.413 6.840 -2.875 1.00 0.00 C ATOM 0 H LEU A 83 4.357 5.690 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 83 5.098 6.764 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.892 4.032 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.355 4.593 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 83 1.966 5.241 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.844 4.906 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.854 3.511 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.447 4.695 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.371 7.113 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.980 6.998 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.828 7.460 -3.670 1.00 0.00 H new ATOM 879 N SER A 84 6.930 4.839 -3.214 1.00 0.00 N ATOM 880 CA SER A 84 8.084 3.936 -3.143 1.00 0.00 C ATOM 881 C SER A 84 7.873 2.856 -2.080 1.00 0.00 C ATOM 882 O SER A 84 6.925 2.893 -1.288 1.00 0.00 O ATOM 883 CB SER A 84 9.405 4.652 -2.831 1.00 0.00 C ATOM 884 OG SER A 84 9.722 5.701 -3.694 1.00 0.00 O ATOM 0 H SER A 84 6.654 5.207 -2.304 1.00 0.00 H new ATOM 0 HA SER A 84 8.159 3.496 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.360 5.039 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.213 3.921 -2.859 1.00 0.00 H new ATOM 0 HG SER A 84 10.575 6.101 -3.423 1.00 0.00 H new ATOM 890 N THR A 85 8.778 1.881 -2.033 1.00 0.00 N ATOM 891 CA THR A 85 8.747 0.804 -1.037 1.00 0.00 C ATOM 892 C THR A 85 10.159 0.306 -0.704 1.00 0.00 C ATOM 893 O THR A 85 11.064 0.452 -1.519 1.00 0.00 O ATOM 894 CB THR A 85 7.853 -0.323 -1.577 1.00 0.00 C ATOM 895 OG1 THR A 85 7.973 -1.507 -0.836 1.00 0.00 O ATOM 896 CG2 THR A 85 8.122 -0.677 -3.035 1.00 0.00 C ATOM 0 H THR A 85 9.558 1.812 -2.686 1.00 0.00 H new ATOM 0 HA THR A 85 8.333 1.177 -0.101 1.00 0.00 H new ATOM 0 HB THR A 85 6.847 0.086 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.691 -1.344 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.453 -1.480 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.950 0.199 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.156 -1.004 -3.145 1.00 0.00 H new ATOM 904 N GLU A 86 10.353 -0.272 0.486 1.00 0.00 N ATOM 905 CA GLU A 86 11.646 -0.816 0.947 1.00 0.00 C ATOM 906 C GLU A 86 11.468 -2.132 1.726 1.00 0.00 C ATOM 907 O GLU A 86 10.468 -2.328 2.418 1.00 0.00 O ATOM 908 CB GLU A 86 12.373 0.209 1.842 1.00 0.00 C ATOM 909 CG GLU A 86 12.805 1.483 1.095 1.00 0.00 C ATOM 910 CD GLU A 86 13.635 2.423 1.979 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.819 2.122 2.250 1.00 0.00 O ATOM 912 OE2 GLU A 86 13.103 3.475 2.420 1.00 0.00 O ATOM 0 H GLU A 86 9.606 -0.379 1.172 1.00 0.00 H new ATOM 0 HA GLU A 86 12.243 -1.020 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.718 0.487 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.254 -0.262 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.387 1.206 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.920 2.010 0.738 1.00 0.00 H new ATOM 919 N LYS A 87 12.439 -3.052 1.631 1.00 0.00 N ATOM 920 CA LYS A 87 12.468 -4.328 2.359 1.00 0.00 C ATOM 921 C LYS A 87 13.138 -4.154 3.728 1.00 0.00 C ATOM 922 O LYS A 87 14.309 -3.781 3.783 1.00 0.00 O ATOM 923 CB LYS A 87 13.284 -5.313 1.521 1.00 0.00 C ATOM 924 CG LYS A 87 13.423 -6.666 2.202 1.00 0.00 C ATOM 925 CD LYS A 87 14.590 -7.357 1.525 1.00 0.00 C ATOM 926 CE LYS A 87 14.702 -8.692 2.222 1.00 0.00 C ATOM 927 NZ LYS A 87 15.867 -9.496 1.788 1.00 0.00 N ATOM 0 H LYS A 87 13.251 -2.924 1.027 1.00 0.00 H new ATOM 0 HA LYS A 87 11.452 -4.689 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.807 -5.444 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.275 -4.897 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.606 -6.548 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.509 -7.251 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.411 -7.482 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.508 -6.778 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.767 -8.526 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.791 -9.263 2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.880 -10.397 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.797 -9.685 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.743 -8.971 1.984 1.00 0.00 H new ATOM 941 N GLU A 88 12.466 -4.538 4.809 1.00 0.00 N ATOM 942 CA GLU A 88 13.042 -4.637 6.159 1.00 0.00 C ATOM 943 C GLU A 88 13.176 -6.121 6.540 1.00 0.00 C ATOM 944 O GLU A 88 12.260 -6.715 7.116 1.00 0.00 O ATOM 945 CB GLU A 88 12.216 -3.817 7.167 1.00 0.00 C ATOM 946 CG GLU A 88 13.092 -3.043 8.158 1.00 0.00 C ATOM 947 CD GLU A 88 14.007 -3.919 9.024 1.00 0.00 C ATOM 948 OE1 GLU A 88 14.992 -4.448 8.519 1.00 0.00 O ATOM 949 OE2 GLU A 88 13.745 -4.022 10.269 1.00 0.00 O ATOM 0 H GLU A 88 11.480 -4.797 4.777 1.00 0.00 H new ATOM 0 HA GLU A 88 14.042 -4.203 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.581 -3.116 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.555 -4.486 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.708 -2.336 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.446 -2.457 8.813 1.00 0.00 H new ATOM 956 N GLY A 89 14.296 -6.736 6.127 1.00 0.00 N ATOM 957 CA GLY A 89 14.686 -8.155 6.273 1.00 0.00 C ATOM 958 C GLY A 89 13.708 -9.207 5.711 1.00 0.00 C ATOM 959 O GLY A 89 14.059 -9.959 4.804 1.00 0.00 O ATOM 0 H GLY A 89 15.019 -6.209 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.651 -8.294 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.832 -8.360 7.334 1.00 0.00 H new ATOM 963 N ARG A 90 12.472 -9.206 6.201 1.00 0.00 N ATOM 964 CA ARG A 90 11.408 -10.202 5.987 1.00 0.00 C ATOM 965 C ARG A 90 10.024 -9.575 5.763 1.00 0.00 C ATOM 966 O ARG A 90 9.177 -10.213 5.144 1.00 0.00 O ATOM 967 CB ARG A 90 11.402 -11.158 7.195 1.00 0.00 C ATOM 968 CG ARG A 90 11.172 -10.435 8.539 1.00 0.00 C ATOM 969 CD ARG A 90 11.465 -11.356 9.721 1.00 0.00 C ATOM 970 NE ARG A 90 11.522 -10.595 10.987 1.00 0.00 N ATOM 971 CZ ARG A 90 12.072 -11.016 12.108 1.00 0.00 C ATOM 972 NH1 ARG A 90 12.704 -12.153 12.172 1.00 0.00 N ATOM 973 NH2 ARG A 90 12.107 -10.263 13.166 1.00 0.00 N ATOM 0 H ARG A 90 12.155 -8.450 6.808 1.00 0.00 H new ATOM 0 HA ARG A 90 11.622 -10.746 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.622 -11.907 7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.352 -11.691 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.811 -9.554 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.141 -10.085 8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.693 -12.123 9.788 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.412 -11.870 9.559 1.00 0.00 H new ATOM 0 HE ARG A 90 11.100 -9.666 10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.782 -12.741 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.121 -12.456 13.052 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.704 -9.326 13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.538 -10.608 14.024 1.00 0.00 H new ATOM 987 N LYS A 91 9.776 -8.344 6.235 1.00 0.00 N ATOM 988 CA LYS A 91 8.605 -7.540 5.961 1.00 0.00 C ATOM 989 C LYS A 91 8.931 -6.449 4.928 1.00 0.00 C ATOM 990 O LYS A 91 10.082 -6.223 4.552 1.00 0.00 O ATOM 991 CB LYS A 91 8.172 -6.953 7.316 1.00 0.00 C ATOM 992 CG LYS A 91 6.660 -6.799 7.394 1.00 0.00 C ATOM 993 CD LYS A 91 5.912 -8.111 7.686 1.00 0.00 C ATOM 994 CE LYS A 91 5.879 -8.448 9.184 1.00 0.00 C ATOM 995 NZ LYS A 91 4.991 -9.600 9.479 1.00 0.00 N ATOM 0 H LYS A 91 10.433 -7.868 6.852 1.00 0.00 H new ATOM 0 HA LYS A 91 7.795 -8.126 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.516 -7.601 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.647 -5.983 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.418 -6.074 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.298 -6.388 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.891 -8.035 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.390 -8.927 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.889 -8.673 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.539 -7.577 9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.999 -9.792 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.021 -9.377 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.329 -10.439 8.966 1.00 0.00 H new ATOM 1009 N PHE A 92 7.899 -5.748 4.471 1.00 0.00 N ATOM 1010 CA PHE A 92 7.982 -4.730 3.424 1.00 0.00 C ATOM 1011 C PHE A 92 7.301 -3.441 3.896 1.00 0.00 C ATOM 1012 O PHE A 92 6.217 -3.491 4.481 1.00 0.00 O ATOM 1013 CB PHE A 92 7.330 -5.276 2.142 1.00 0.00 C ATOM 1014 CG PHE A 92 8.282 -5.413 0.987 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.314 -6.364 1.040 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.140 -4.575 -0.129 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.211 -6.476 -0.035 1.00 0.00 C ATOM 1018 CE2 PHE A 92 9.048 -4.679 -1.198 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.084 -5.630 -1.151 1.00 0.00 C ATOM 0 H PHE A 92 6.952 -5.875 4.828 1.00 0.00 H new ATOM 0 HA PHE A 92 9.024 -4.494 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.891 -6.250 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.514 -4.615 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.417 -7.006 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.337 -3.853 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.000 -7.213 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.950 -4.029 -2.055 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.781 -5.710 -1.972 1.00 0.00 H new ATOM 1029 N VAL A 93 7.930 -2.304 3.611 1.00 0.00 N ATOM 1030 CA VAL A 93 7.452 -0.954 3.927 1.00 0.00 C ATOM 1031 C VAL A 93 7.053 -0.260 2.632 1.00 0.00 C ATOM 1032 O VAL A 93 7.652 -0.476 1.580 1.00 0.00 O ATOM 1033 CB VAL A 93 8.539 -0.143 4.668 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.145 1.320 4.945 1.00 0.00 C ATOM 1035 CG2 VAL A 93 8.872 -0.817 6.006 1.00 0.00 C ATOM 0 H VAL A 93 8.830 -2.295 3.131 1.00 0.00 H new ATOM 0 HA VAL A 93 6.588 -1.022 4.588 1.00 0.00 H new ATOM 0 HB VAL A 93 9.402 -0.127 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.959 1.823 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.950 1.829 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.247 1.344 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.639 -0.240 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.975 -0.863 6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.239 -1.827 5.823 1.00 0.00 H new ATOM 1045 N TYR A 94 6.080 0.633 2.729 1.00 0.00 N ATOM 1046 CA TYR A 94 5.590 1.518 1.682 1.00 0.00 C ATOM 1047 C TYR A 94 5.544 2.967 2.194 1.00 0.00 C ATOM 1048 O TYR A 94 4.979 3.238 3.259 1.00 0.00 O ATOM 1049 CB TYR A 94 4.202 1.024 1.260 1.00 0.00 C ATOM 1050 CG TYR A 94 4.270 -0.310 0.545 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.299 -1.525 1.266 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.410 -0.321 -0.855 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.467 -2.739 0.584 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.566 -1.538 -1.538 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.595 -2.751 -0.823 1.00 0.00 C ATOM 1056 OH TYR A 94 4.701 -3.922 -1.499 1.00 0.00 O ATOM 0 H TYR A 94 5.575 0.768 3.605 1.00 0.00 H new ATOM 0 HA TYR A 94 6.256 1.504 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.566 0.932 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.737 1.763 0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.192 -1.519 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.397 0.608 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.499 -3.667 1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.664 -1.544 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 94 4.780 -3.740 -2.459 1.00 0.00 H new ATOM 1066 N ARG A 95 6.151 3.890 1.432 1.00 0.00 N ATOM 1067 CA ARG A 95 6.124 5.350 1.720 1.00 0.00 C ATOM 1068 C ARG A 95 6.025 6.272 0.475 1.00 0.00 C ATOM 1069 O ARG A 95 6.342 5.813 -0.625 1.00 0.00 O ATOM 1070 CB ARG A 95 7.292 5.724 2.663 1.00 0.00 C ATOM 1071 CG ARG A 95 8.727 5.206 2.441 1.00 0.00 C ATOM 1072 CD ARG A 95 9.590 5.819 3.567 1.00 0.00 C ATOM 1073 NE ARG A 95 10.943 5.231 3.710 1.00 0.00 N ATOM 1074 CZ ARG A 95 11.875 5.624 4.568 1.00 0.00 C ATOM 1075 NH1 ARG A 95 11.676 6.567 5.453 1.00 0.00 N ATOM 1076 NH2 ARG A 95 12.988 4.960 4.663 1.00 0.00 N ATOM 0 H ARG A 95 6.679 3.653 0.592 1.00 0.00 H new ATOM 0 HA ARG A 95 5.182 5.543 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.350 6.812 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.998 5.411 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.757 4.117 2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.100 5.502 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.693 6.889 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.060 5.707 4.513 1.00 0.00 H new ATOM 0 HE ARG A 95 11.179 4.454 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.771 7.036 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.425 6.834 6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.143 4.139 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.706 5.260 5.322 1.00 0.00 H new ATOM 1090 N PRO A 96 5.543 7.533 0.601 1.00 0.00 N ATOM 1091 CA PRO A 96 5.440 8.480 -0.520 1.00 0.00 C ATOM 1092 C PRO A 96 6.786 9.142 -0.876 1.00 0.00 C ATOM 1093 O PRO A 96 7.734 9.047 -0.099 1.00 0.00 O ATOM 1094 CB PRO A 96 4.421 9.521 -0.052 1.00 0.00 C ATOM 1095 CG PRO A 96 4.690 9.603 1.447 1.00 0.00 C ATOM 1096 CD PRO A 96 5.026 8.160 1.819 1.00 0.00 C ATOM 0 HA PRO A 96 5.137 7.971 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.570 10.483 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.398 9.210 -0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.514 10.280 1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.820 9.968 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.766 8.127 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.142 7.636 2.181 1.00 0.00 H new ATOM 1104 N LEU A 97 6.867 9.836 -2.022 1.00 0.00 N ATOM 1105 CA LEU A 97 8.113 10.407 -2.558 1.00 0.00 C ATOM 1106 C LEU A 97 8.001 11.862 -3.049 1.00 0.00 C ATOM 1107 O LEU A 97 6.948 12.311 -3.511 1.00 0.00 O ATOM 1108 CB LEU A 97 8.748 9.424 -3.520 1.00 0.00 C ATOM 1109 CG LEU A 97 8.036 9.203 -4.835 1.00 0.00 C ATOM 1110 CD1 LEU A 97 8.442 10.249 -5.859 1.00 0.00 C ATOM 1111 CD2 LEU A 97 8.468 7.825 -5.267 1.00 0.00 C ATOM 0 H LEU A 97 6.055 10.019 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 97 8.813 10.536 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.761 9.765 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.835 8.462 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 97 6.953 9.287 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.915 10.066 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.186 11.241 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.517 10.192 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.997 7.578 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.552 7.803 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.168 7.097 -4.514 1.00 0.00 H new ATOM 1123 N MET A 98 9.115 12.598 -2.931 1.00 0.00 N ATOM 1124 CA MET A 98 9.241 14.032 -3.264 1.00 0.00 C ATOM 1125 C MET A 98 10.705 14.490 -3.463 1.00 0.00 C ATOM 1126 O MET A 98 10.960 15.355 -4.294 1.00 0.00 O ATOM 1127 CB MET A 98 8.590 14.862 -2.137 1.00 0.00 C ATOM 1128 CG MET A 98 8.500 16.361 -2.448 1.00 0.00 C ATOM 1129 SD MET A 98 7.721 17.335 -1.130 1.00 0.00 S ATOM 1130 CE MET A 98 7.744 18.971 -1.916 1.00 0.00 C ATOM 0 H MET A 98 9.989 12.200 -2.588 1.00 0.00 H new ATOM 0 HA MET A 98 8.735 14.190 -4.216 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.587 14.478 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.162 14.724 -1.219 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.504 16.747 -2.628 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.936 16.498 -3.371 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.299 19.704 -1.243 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.773 19.256 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.173 18.937 -2.844 1.00 0.00 H new ATOM 1140 N GLU A 99 11.647 13.918 -2.697 1.00 0.00 N ATOM 1141 CA GLU A 99 13.100 14.228 -2.691 1.00 0.00 C ATOM 1142 C GLU A 99 13.843 13.828 -3.984 1.00 0.00 C ATOM 1143 O GLU A 99 13.583 12.725 -4.525 1.00 0.00 O ATOM 1144 CB GLU A 99 13.719 13.541 -1.446 1.00 0.00 C ATOM 1145 CG GLU A 99 14.962 14.236 -0.870 1.00 0.00 C ATOM 1146 CD GLU A 99 15.690 13.396 0.205 1.00 0.00 C ATOM 1147 OE1 GLU A 99 15.046 12.837 1.139 1.00 0.00 O ATOM 1148 OE2 GLU A 99 16.916 13.214 0.081 1.00 0.00 O ATOM 0 H GLU A 99 11.411 13.187 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 99 13.216 15.311 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.959 13.484 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.983 12.517 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.656 14.455 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.667 15.192 -0.436 1.00 0.00 H new TER 1155 GLU A 99