USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 100:sc= 0.283 USER MOD Single : A 97 THR OG1 : rot -85:sc= -1.48! USER MOD Single : A 102 SER OG : rot 30:sc= 0.0487 USER MOD Single : A 104 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.5) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -152:sc= -0.0423 (180deg=-0.351) USER MOD Single : A 110 GLN : amide:sc= -3.73! C(o=-3.7!,f=-5.3!) USER MOD Single : A 113 ASN : amide:sc= -0.587 K(o=-0.59,f=-0.0094) USER MOD Single : A 114 SER OG : rot 71:sc= 0.0435 USER MOD Single : A 124 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot -116:sc= 0.985 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0959 USER MOD Single : A 136 ASN : amide:sc= -0.26 K(o=-0.26,f=-4.1!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -7.795 5.651 -9.436 1.00 0.00 N ATOM 34 CA LEU A 86 -6.427 6.219 -9.596 1.00 0.00 C ATOM 35 C LEU A 86 -6.018 6.935 -8.307 1.00 0.00 C ATOM 36 O LEU A 86 -6.383 8.069 -8.073 1.00 0.00 O ATOM 37 CB LEU A 86 -6.419 7.213 -10.759 1.00 0.00 C ATOM 38 CG LEU A 86 -6.192 6.461 -12.071 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.862 7.219 -13.218 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.690 6.351 -12.343 1.00 0.00 C ATOM 0 HA LEU A 86 -5.721 5.414 -9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.365 7.753 -10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.634 7.955 -10.612 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.623 5.463 -11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.700 6.682 -14.153 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.932 7.298 -13.026 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.432 8.218 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.528 5.815 -13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.260 7.350 -12.418 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.211 5.810 -11.527 1.00 0.00 H new ATOM 52 N PHE A 87 -5.261 6.280 -7.471 1.00 0.00 N ATOM 53 CA PHE A 87 -4.827 6.921 -6.198 1.00 0.00 C ATOM 54 C PHE A 87 -3.435 7.528 -6.384 1.00 0.00 C ATOM 55 O PHE A 87 -2.882 7.516 -7.466 1.00 0.00 O ATOM 56 CB PHE A 87 -4.776 5.868 -5.089 1.00 0.00 C ATOM 57 CG PHE A 87 -6.156 5.673 -4.509 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.281 5.717 -5.342 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.312 5.448 -3.136 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.560 5.537 -4.803 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.591 5.267 -2.596 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.714 5.311 -3.429 1.00 0.00 C ATOM 0 H PHE A 87 -4.924 5.328 -7.614 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.534 7.704 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.402 4.925 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.084 6.182 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.161 5.890 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.445 5.414 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.427 5.572 -5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.711 5.093 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.701 5.171 -3.013 1.00 0.00 H new ATOM 72 N VAL A 88 -2.862 8.057 -5.338 1.00 0.00 N ATOM 73 CA VAL A 88 -1.503 8.660 -5.457 1.00 0.00 C ATOM 74 C VAL A 88 -0.742 8.450 -4.145 1.00 0.00 C ATOM 75 O VAL A 88 -1.330 8.335 -3.089 1.00 0.00 O ATOM 76 CB VAL A 88 -1.620 10.162 -5.740 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.451 10.605 -6.623 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.939 10.452 -6.464 1.00 0.00 C ATOM 0 H VAL A 88 -3.275 8.098 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.968 8.182 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.597 10.708 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.532 11.673 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.489 10.404 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.476 10.054 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.018 11.521 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.965 9.905 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.774 10.137 -5.839 1.00 0.00 H new ATOM 88 N ALA A 89 0.560 8.400 -4.204 1.00 0.00 N ATOM 89 CA ALA A 89 1.354 8.198 -2.960 1.00 0.00 C ATOM 90 C ALA A 89 1.520 9.536 -2.236 1.00 0.00 C ATOM 91 O ALA A 89 2.113 10.462 -2.752 1.00 0.00 O ATOM 92 CB ALA A 89 2.733 7.640 -3.321 1.00 0.00 C ATOM 0 H ALA A 89 1.108 8.490 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 89 0.835 7.495 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.315 7.492 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.616 6.687 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.251 8.344 -3.973 1.00 0.00 H new ATOM 98 N LEU A 90 0.998 9.644 -1.045 1.00 0.00 N ATOM 99 CA LEU A 90 1.124 10.924 -0.290 1.00 0.00 C ATOM 100 C LEU A 90 2.565 11.091 0.200 1.00 0.00 C ATOM 101 O LEU A 90 2.977 12.167 0.589 1.00 0.00 O ATOM 102 CB LEU A 90 0.177 10.903 0.913 1.00 0.00 C ATOM 103 CG LEU A 90 -1.140 10.236 0.519 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.308 8.933 1.304 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.304 11.176 0.841 1.00 0.00 C ATOM 0 H LEU A 90 0.490 8.903 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 90 0.864 11.756 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.636 10.362 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.008 11.919 1.260 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.131 10.019 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.248 8.457 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.479 8.262 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.317 9.150 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.244 10.701 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.312 11.393 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.186 12.105 0.283 1.00 0.00 H new ATOM 117 N TYR A 91 3.336 10.037 0.187 1.00 0.00 N ATOM 118 CA TYR A 91 4.749 10.141 0.654 1.00 0.00 C ATOM 119 C TYR A 91 5.612 9.138 -0.114 1.00 0.00 C ATOM 120 O TYR A 91 5.112 8.298 -0.834 1.00 0.00 O ATOM 121 CB TYR A 91 4.838 9.827 2.156 1.00 0.00 C ATOM 122 CG TYR A 91 3.483 9.981 2.811 1.00 0.00 C ATOM 123 CD1 TYR A 91 2.930 11.255 2.988 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.784 8.848 3.245 1.00 0.00 C ATOM 125 CE1 TYR A 91 1.677 11.396 3.599 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.531 8.989 3.854 1.00 0.00 C ATOM 127 CZ TYR A 91 0.978 10.264 4.031 1.00 0.00 C ATOM 128 OH TYR A 91 -0.256 10.402 4.633 1.00 0.00 O ATOM 0 H TYR A 91 3.049 9.110 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 91 5.104 11.156 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.205 8.811 2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.556 10.495 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.469 12.129 2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.211 7.865 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.251 12.379 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.991 8.115 4.187 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.605 9.518 4.871 1.00 0.00 H new ATOM 138 N ASP A 92 6.906 9.214 0.039 1.00 0.00 N ATOM 139 CA ASP A 92 7.796 8.257 -0.677 1.00 0.00 C ATOM 140 C ASP A 92 7.733 6.898 0.020 1.00 0.00 C ATOM 141 O ASP A 92 7.278 6.788 1.142 1.00 0.00 O ATOM 142 CB ASP A 92 9.236 8.775 -0.653 1.00 0.00 C ATOM 143 CG ASP A 92 9.268 10.224 -1.141 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.730 11.074 -0.451 1.00 0.00 O ATOM 145 OD2 ASP A 92 9.830 10.461 -2.198 1.00 0.00 O ATOM 0 H ASP A 92 7.384 9.896 0.628 1.00 0.00 H new ATOM 0 HA ASP A 92 7.467 8.157 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.639 8.712 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.868 8.153 -1.287 1.00 0.00 H new ATOM 150 N TYR A 93 8.182 5.862 -0.631 1.00 0.00 N ATOM 151 CA TYR A 93 8.142 4.516 0.003 1.00 0.00 C ATOM 152 C TYR A 93 9.186 3.609 -0.649 1.00 0.00 C ATOM 153 O TYR A 93 9.351 3.599 -1.852 1.00 0.00 O ATOM 154 CB TYR A 93 6.750 3.908 -0.182 1.00 0.00 C ATOM 155 CG TYR A 93 6.752 2.482 0.316 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.849 2.219 1.687 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.656 1.423 -0.596 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.851 0.897 2.147 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.657 0.102 -0.135 1.00 0.00 C ATOM 160 CZ TYR A 93 6.755 -0.161 1.237 1.00 0.00 C ATOM 161 OH TYR A 93 6.756 -1.464 1.691 1.00 0.00 O ATOM 0 H TYR A 93 8.574 5.889 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 93 8.361 4.610 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.010 4.494 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.466 3.936 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.922 3.036 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.581 1.626 -1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.927 0.694 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.582 -0.715 -0.837 1.00 0.00 H new ATOM 0 HH TYR A 93 5.837 -1.803 1.714 1.00 0.00 H new ATOM 171 N GLU A 94 9.889 2.843 0.138 1.00 0.00 N ATOM 172 CA GLU A 94 10.919 1.933 -0.431 1.00 0.00 C ATOM 173 C GLU A 94 10.465 0.488 -0.233 1.00 0.00 C ATOM 174 O GLU A 94 10.332 0.016 0.878 1.00 0.00 O ATOM 175 CB GLU A 94 12.253 2.153 0.286 1.00 0.00 C ATOM 176 CG GLU A 94 12.875 3.469 -0.186 1.00 0.00 C ATOM 177 CD GLU A 94 14.346 3.242 -0.537 1.00 0.00 C ATOM 178 OE1 GLU A 94 15.032 2.612 0.251 1.00 0.00 O ATOM 179 OE2 GLU A 94 14.762 3.702 -1.587 1.00 0.00 O ATOM 0 H GLU A 94 9.794 2.809 1.153 1.00 0.00 H new ATOM 0 HA GLU A 94 11.047 2.139 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.098 2.178 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.930 1.324 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.337 3.846 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.789 4.225 0.595 1.00 0.00 H new ATOM 186 N ALA A 95 10.215 -0.215 -1.303 1.00 0.00 N ATOM 187 CA ALA A 95 9.758 -1.627 -1.179 1.00 0.00 C ATOM 188 C ALA A 95 10.565 -2.341 -0.094 1.00 0.00 C ATOM 189 O ALA A 95 11.761 -2.521 -0.211 1.00 0.00 O ATOM 190 CB ALA A 95 9.951 -2.347 -2.514 1.00 0.00 C ATOM 0 H ALA A 95 10.308 0.128 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 95 8.702 -1.638 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.616 -3.380 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.369 -1.844 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.006 -2.331 -2.787 1.00 0.00 H new ATOM 196 N ARG A 96 9.918 -2.751 0.962 1.00 0.00 N ATOM 197 CA ARG A 96 10.642 -3.456 2.056 1.00 0.00 C ATOM 198 C ARG A 96 10.474 -4.969 1.888 1.00 0.00 C ATOM 199 O ARG A 96 11.009 -5.750 2.650 1.00 0.00 O ATOM 200 CB ARG A 96 10.064 -3.031 3.409 1.00 0.00 C ATOM 201 CG ARG A 96 10.056 -1.504 3.506 1.00 0.00 C ATOM 202 CD ARG A 96 11.476 -1.004 3.775 1.00 0.00 C ATOM 203 NE ARG A 96 11.473 0.484 3.851 1.00 0.00 N ATOM 204 CZ ARG A 96 10.989 1.084 4.904 1.00 0.00 C ATOM 205 NH1 ARG A 96 9.708 1.312 4.994 1.00 0.00 N ATOM 206 NH2 ARG A 96 11.788 1.456 5.867 1.00 0.00 N ATOM 0 H ARG A 96 8.917 -2.628 1.114 1.00 0.00 H new ATOM 0 HA ARG A 96 11.700 -3.198 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.051 -3.418 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.658 -3.454 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.676 -1.072 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.388 -1.183 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.851 -1.426 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.146 -1.337 2.983 1.00 0.00 H new ATOM 0 HE ARG A 96 11.850 1.034 3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.084 1.021 4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.330 1.781 5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.790 1.278 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.411 1.925 6.690 1.00 0.00 H new ATOM 220 N THR A 97 9.735 -5.390 0.898 1.00 0.00 N ATOM 221 CA THR A 97 9.536 -6.852 0.687 1.00 0.00 C ATOM 222 C THR A 97 9.530 -7.156 -0.812 1.00 0.00 C ATOM 223 O THR A 97 9.520 -6.265 -1.638 1.00 0.00 O ATOM 224 CB THR A 97 8.200 -7.277 1.300 1.00 0.00 C ATOM 225 OG1 THR A 97 7.185 -6.369 0.895 1.00 0.00 O ATOM 226 CG2 THR A 97 8.311 -7.275 2.825 1.00 0.00 C ATOM 0 H THR A 97 9.261 -4.786 0.227 1.00 0.00 H new ATOM 0 HA THR A 97 10.347 -7.402 1.165 1.00 0.00 H new ATOM 0 HB THR A 97 7.947 -8.281 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.173 -5.600 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.358 -7.578 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.089 -7.973 3.134 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.565 -6.273 3.170 1.00 0.00 H new ATOM 234 N GLU A 98 9.537 -8.411 -1.171 1.00 0.00 N ATOM 235 CA GLU A 98 9.533 -8.774 -2.617 1.00 0.00 C ATOM 236 C GLU A 98 8.098 -8.747 -3.149 1.00 0.00 C ATOM 237 O GLU A 98 7.830 -9.162 -4.259 1.00 0.00 O ATOM 238 CB GLU A 98 10.115 -10.179 -2.790 1.00 0.00 C ATOM 239 CG GLU A 98 11.596 -10.079 -3.158 1.00 0.00 C ATOM 240 CD GLU A 98 11.738 -9.384 -4.515 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.481 -10.029 -5.518 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.104 -8.221 -4.527 1.00 0.00 O ATOM 0 H GLU A 98 9.545 -9.201 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 98 10.138 -8.057 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.997 -10.749 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.572 -10.715 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.135 -9.520 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.040 -11.074 -3.198 1.00 0.00 H new ATOM 249 N ASP A 99 7.173 -8.264 -2.365 1.00 0.00 N ATOM 250 CA ASP A 99 5.757 -8.214 -2.828 1.00 0.00 C ATOM 251 C ASP A 99 5.259 -6.767 -2.800 1.00 0.00 C ATOM 252 O ASP A 99 4.181 -6.463 -3.268 1.00 0.00 O ATOM 253 CB ASP A 99 4.883 -9.072 -1.906 1.00 0.00 C ATOM 254 CG ASP A 99 5.505 -9.137 -0.508 1.00 0.00 C ATOM 255 OD1 ASP A 99 6.411 -9.932 -0.323 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.063 -8.392 0.350 1.00 0.00 O ATOM 0 H ASP A 99 7.336 -7.902 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 99 5.697 -8.599 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.879 -8.651 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.784 -10.077 -2.316 1.00 0.00 H new ATOM 261 N ASP A 100 6.037 -5.871 -2.255 1.00 0.00 N ATOM 262 CA ASP A 100 5.605 -4.446 -2.200 1.00 0.00 C ATOM 263 C ASP A 100 6.210 -3.684 -3.382 1.00 0.00 C ATOM 264 O ASP A 100 7.001 -4.215 -4.135 1.00 0.00 O ATOM 265 CB ASP A 100 6.086 -3.818 -0.890 1.00 0.00 C ATOM 266 CG ASP A 100 5.442 -4.547 0.291 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.444 -5.213 0.078 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.960 -4.427 1.390 1.00 0.00 O ATOM 0 H ASP A 100 6.951 -6.064 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 100 4.517 -4.394 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.172 -3.881 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.825 -2.760 -0.864 1.00 0.00 H new ATOM 273 N LEU A 101 5.842 -2.442 -3.551 1.00 0.00 N ATOM 274 CA LEU A 101 6.395 -1.651 -4.685 1.00 0.00 C ATOM 275 C LEU A 101 7.214 -0.478 -4.144 1.00 0.00 C ATOM 276 O LEU A 101 7.206 -0.193 -2.963 1.00 0.00 O ATOM 277 CB LEU A 101 5.247 -1.111 -5.541 1.00 0.00 C ATOM 278 CG LEU A 101 4.358 -2.268 -5.995 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.889 -1.852 -5.897 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.689 -2.623 -7.446 1.00 0.00 C ATOM 0 H LEU A 101 5.183 -1.943 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 101 7.034 -2.293 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.661 -0.391 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.644 -0.582 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 101 4.534 -3.134 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.255 -2.677 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.652 -1.595 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.713 -0.987 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.056 -3.448 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.511 -1.756 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.736 -2.918 -7.519 1.00 0.00 H new ATOM 292 N SER A 102 7.916 0.208 -5.003 1.00 0.00 N ATOM 293 CA SER A 102 8.731 1.369 -4.550 1.00 0.00 C ATOM 294 C SER A 102 8.348 2.598 -5.376 1.00 0.00 C ATOM 295 O SER A 102 7.878 2.484 -6.490 1.00 0.00 O ATOM 296 CB SER A 102 10.216 1.061 -4.747 1.00 0.00 C ATOM 297 OG SER A 102 10.989 2.153 -4.268 1.00 0.00 O ATOM 0 H SER A 102 7.960 0.013 -6.003 1.00 0.00 H new ATOM 0 HA SER A 102 8.543 1.562 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.484 0.149 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.426 0.887 -5.802 1.00 0.00 H new ATOM 0 HG SER A 102 10.508 2.600 -3.541 1.00 0.00 H new ATOM 303 N PHE A 103 8.539 3.773 -4.842 1.00 0.00 N ATOM 304 CA PHE A 103 8.174 4.997 -5.609 1.00 0.00 C ATOM 305 C PHE A 103 8.358 6.234 -4.728 1.00 0.00 C ATOM 306 O PHE A 103 8.889 6.160 -3.637 1.00 0.00 O ATOM 307 CB PHE A 103 6.711 4.902 -6.045 1.00 0.00 C ATOM 308 CG PHE A 103 5.861 4.533 -4.852 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.447 5.523 -3.954 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.491 3.199 -4.644 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.663 5.180 -2.846 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.706 2.856 -3.535 1.00 0.00 C ATOM 313 CZ PHE A 103 4.292 3.846 -2.637 1.00 0.00 C ATOM 0 H PHE A 103 8.929 3.938 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 103 8.817 5.079 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.381 5.853 -6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.601 4.154 -6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.732 6.552 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.810 2.435 -5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.344 5.944 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.420 1.827 -3.373 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.686 3.581 -1.783 1.00 0.00 H new ATOM 323 N HIS A 104 7.917 7.370 -5.193 1.00 0.00 N ATOM 324 CA HIS A 104 8.057 8.615 -4.388 1.00 0.00 C ATOM 325 C HIS A 104 6.742 9.395 -4.438 1.00 0.00 C ATOM 326 O HIS A 104 6.003 9.319 -5.399 1.00 0.00 O ATOM 327 CB HIS A 104 9.182 9.474 -4.967 1.00 0.00 C ATOM 328 CG HIS A 104 8.976 9.640 -6.448 1.00 0.00 C ATOM 329 ND1 HIS A 104 9.279 8.636 -7.354 1.00 0.00 N ATOM 330 CD2 HIS A 104 8.498 10.687 -7.196 1.00 0.00 C ATOM 331 CE1 HIS A 104 8.985 9.096 -8.583 1.00 0.00 C ATOM 332 NE2 HIS A 104 8.505 10.342 -8.545 1.00 0.00 N ATOM 0 H HIS A 104 7.464 7.490 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 104 8.294 8.359 -3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.197 10.449 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.147 9.006 -4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.167 11.635 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.121 8.527 -9.491 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.208 10.917 -9.334 1.00 0.00 H new ATOM 340 N LYS A 105 6.444 10.143 -3.412 1.00 0.00 N ATOM 341 CA LYS A 105 5.175 10.925 -3.405 1.00 0.00 C ATOM 342 C LYS A 105 4.980 11.588 -4.771 1.00 0.00 C ATOM 343 O LYS A 105 5.873 12.222 -5.297 1.00 0.00 O ATOM 344 CB LYS A 105 5.244 12.002 -2.321 1.00 0.00 C ATOM 345 CG LYS A 105 4.002 12.892 -2.404 1.00 0.00 C ATOM 346 CD LYS A 105 4.290 14.233 -1.726 1.00 0.00 C ATOM 347 CE LYS A 105 4.274 15.348 -2.773 1.00 0.00 C ATOM 348 NZ LYS A 105 4.732 16.622 -2.151 1.00 0.00 N ATOM 0 H LYS A 105 7.023 10.247 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 105 4.338 10.258 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.307 11.538 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.144 12.603 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.724 13.051 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.157 12.402 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.544 14.431 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.259 14.200 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.923 15.086 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.268 15.469 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.721 17.380 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.096 16.874 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.699 16.503 -1.787 1.00 0.00 H new ATOM 362 N GLY A 106 3.820 11.445 -5.349 1.00 0.00 N ATOM 363 CA GLY A 106 3.570 12.067 -6.679 1.00 0.00 C ATOM 364 C GLY A 106 3.238 10.975 -7.697 1.00 0.00 C ATOM 365 O GLY A 106 2.571 11.215 -8.684 1.00 0.00 O ATOM 0 H GLY A 106 3.035 10.925 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.747 12.778 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.448 12.626 -7.002 1.00 0.00 H new ATOM 369 N GLU A 107 3.694 9.774 -7.464 1.00 0.00 N ATOM 370 CA GLU A 107 3.399 8.671 -8.421 1.00 0.00 C ATOM 371 C GLU A 107 1.955 8.207 -8.225 1.00 0.00 C ATOM 372 O GLU A 107 1.465 8.127 -7.116 1.00 0.00 O ATOM 373 CB GLU A 107 4.353 7.501 -8.167 1.00 0.00 C ATOM 374 CG GLU A 107 5.263 7.313 -9.382 1.00 0.00 C ATOM 375 CD GLU A 107 5.765 5.869 -9.428 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.984 4.982 -9.123 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.920 5.674 -9.766 1.00 0.00 O ATOM 0 H GLU A 107 4.256 9.510 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 107 3.533 9.028 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.952 7.693 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.786 6.589 -7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.719 7.549 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.107 8.001 -9.327 1.00 0.00 H new ATOM 384 N LYS A 108 1.268 7.907 -9.291 1.00 0.00 N ATOM 385 CA LYS A 108 -0.146 7.455 -9.162 1.00 0.00 C ATOM 386 C LYS A 108 -0.241 5.961 -9.474 1.00 0.00 C ATOM 387 O LYS A 108 0.443 5.452 -10.339 1.00 0.00 O ATOM 388 CB LYS A 108 -1.026 8.238 -10.141 1.00 0.00 C ATOM 389 CG LYS A 108 -0.219 8.582 -11.396 1.00 0.00 C ATOM 390 CD LYS A 108 0.621 9.835 -11.136 1.00 0.00 C ATOM 391 CE LYS A 108 0.138 10.971 -12.039 1.00 0.00 C ATOM 392 NZ LYS A 108 0.419 10.628 -13.462 1.00 0.00 N ATOM 0 H LYS A 108 1.624 7.955 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.488 7.633 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.902 7.648 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.390 9.151 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.428 7.747 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.890 8.750 -12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.540 10.129 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.673 9.626 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.930 11.134 -11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.640 11.901 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.549 11.502 -14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.284 10.053 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.380 10.090 -13.854 1.00 0.00 H new ATOM 406 N PHE A 109 -1.087 5.255 -8.774 1.00 0.00 N ATOM 407 CA PHE A 109 -1.230 3.794 -9.029 1.00 0.00 C ATOM 408 C PHE A 109 -2.701 3.469 -9.299 1.00 0.00 C ATOM 409 O PHE A 109 -3.570 4.305 -9.149 1.00 0.00 O ATOM 410 CB PHE A 109 -0.759 3.012 -7.802 1.00 0.00 C ATOM 411 CG PHE A 109 0.683 3.345 -7.503 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.010 4.567 -6.903 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.692 2.429 -7.820 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.347 4.872 -6.621 1.00 0.00 C ATOM 415 CE2 PHE A 109 3.030 2.733 -7.536 1.00 0.00 C ATOM 416 CZ PHE A 109 3.356 3.955 -6.937 1.00 0.00 C ATOM 0 H PHE A 109 -1.685 5.627 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.626 3.516 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.383 3.256 -6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.865 1.942 -7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.231 5.274 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.439 1.487 -8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.600 5.815 -6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.809 2.025 -7.779 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.387 4.191 -6.718 1.00 0.00 H new ATOM 426 N GLN A 110 -2.987 2.257 -9.690 1.00 0.00 N ATOM 427 CA GLN A 110 -4.400 1.875 -9.962 1.00 0.00 C ATOM 428 C GLN A 110 -4.822 0.780 -8.979 1.00 0.00 C ATOM 429 O GLN A 110 -4.536 -0.385 -9.175 1.00 0.00 O ATOM 430 CB GLN A 110 -4.523 1.350 -11.394 1.00 0.00 C ATOM 431 CG GLN A 110 -4.393 2.514 -12.379 1.00 0.00 C ATOM 432 CD GLN A 110 -4.921 2.085 -13.750 1.00 0.00 C ATOM 433 OE1 GLN A 110 -4.164 1.656 -14.599 1.00 0.00 O ATOM 434 NE2 GLN A 110 -6.198 2.181 -14.004 1.00 0.00 N ATOM 0 H GLN A 110 -2.302 1.515 -9.833 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.044 2.746 -9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.749 0.608 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.483 0.852 -11.528 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.953 3.376 -12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.350 2.822 -12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.834 2.541 -13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.560 1.896 -14.914 1.00 0.00 H new ATOM 443 N ILE A 111 -5.493 1.145 -7.922 1.00 0.00 N ATOM 444 CA ILE A 111 -5.927 0.125 -6.927 1.00 0.00 C ATOM 445 C ILE A 111 -6.932 -0.829 -7.573 1.00 0.00 C ATOM 446 O ILE A 111 -8.029 -0.446 -7.927 1.00 0.00 O ATOM 447 CB ILE A 111 -6.580 0.822 -5.733 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.598 1.831 -5.132 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.950 -0.217 -4.673 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.371 1.094 -4.594 1.00 0.00 C ATOM 0 H ILE A 111 -5.759 2.105 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.059 -0.440 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.480 1.340 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.297 2.556 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.080 2.390 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.415 0.281 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.648 -0.938 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.050 -0.736 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.673 1.814 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.680 0.387 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.884 0.556 -5.407 1.00 0.00 H new ATOM 462 N LEU A 112 -6.566 -2.073 -7.727 1.00 0.00 N ATOM 463 CA LEU A 112 -7.499 -3.055 -8.348 1.00 0.00 C ATOM 464 C LEU A 112 -8.045 -3.984 -7.263 1.00 0.00 C ATOM 465 O LEU A 112 -9.141 -4.499 -7.364 1.00 0.00 O ATOM 466 CB LEU A 112 -6.750 -3.878 -9.396 1.00 0.00 C ATOM 467 CG LEU A 112 -5.405 -4.325 -8.821 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.135 -5.777 -9.218 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.294 -3.431 -9.375 1.00 0.00 C ATOM 0 H LEU A 112 -5.660 -2.451 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.323 -2.526 -8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.342 -4.747 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.594 -3.285 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.430 -4.246 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.176 -6.094 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.927 -6.415 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.109 -5.858 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.334 -3.748 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.270 -3.512 -10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.485 -2.396 -9.092 1.00 0.00 H new ATOM 481 N ASN A 113 -7.287 -4.201 -6.223 1.00 0.00 N ATOM 482 CA ASN A 113 -7.756 -5.095 -5.128 1.00 0.00 C ATOM 483 C ASN A 113 -7.449 -4.444 -3.779 1.00 0.00 C ATOM 484 O ASN A 113 -6.421 -4.687 -3.180 1.00 0.00 O ATOM 485 CB ASN A 113 -7.033 -6.440 -5.223 1.00 0.00 C ATOM 486 CG ASN A 113 -7.828 -7.503 -4.466 1.00 0.00 C ATOM 487 OD1 ASN A 113 -8.351 -8.426 -5.060 1.00 0.00 O ATOM 488 ND2 ASN A 113 -7.946 -7.413 -3.169 1.00 0.00 N ATOM 0 H ASN A 113 -6.361 -3.796 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.830 -5.255 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.920 -6.731 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.030 -6.355 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -8.476 -8.117 -2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -7.508 -6.639 -2.670 1.00 0.00 H new ATOM 495 N SER A 114 -8.334 -3.616 -3.295 1.00 0.00 N ATOM 496 CA SER A 114 -8.092 -2.948 -1.986 1.00 0.00 C ATOM 497 C SER A 114 -8.807 -3.720 -0.878 1.00 0.00 C ATOM 498 O SER A 114 -8.205 -4.483 -0.150 1.00 0.00 O ATOM 499 CB SER A 114 -8.627 -1.517 -2.037 1.00 0.00 C ATOM 500 OG SER A 114 -9.453 -1.367 -3.186 1.00 0.00 O ATOM 0 H SER A 114 -9.214 -3.374 -3.750 1.00 0.00 H new ATOM 0 HA SER A 114 -7.021 -2.929 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.196 -1.296 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.800 -0.808 -2.074 1.00 0.00 H new ATOM 0 HG SER A 114 -10.287 -1.864 -3.056 1.00 0.00 H new ATOM 539 N ASP A 118 -4.601 -3.584 4.883 1.00 0.00 N ATOM 540 CA ASP A 118 -3.275 -2.975 5.187 1.00 0.00 C ATOM 541 C ASP A 118 -2.458 -2.860 3.900 1.00 0.00 C ATOM 542 O ASP A 118 -1.907 -1.822 3.593 1.00 0.00 O ATOM 543 CB ASP A 118 -2.526 -3.856 6.189 1.00 0.00 C ATOM 544 CG ASP A 118 -2.890 -3.436 7.614 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.496 -2.350 8.010 1.00 0.00 O ATOM 546 OD2 ASP A 118 -3.557 -4.205 8.286 1.00 0.00 O ATOM 0 HA ASP A 118 -3.422 -1.983 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.783 -4.903 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.451 -3.765 6.036 1.00 0.00 H new ATOM 551 N TRP A 119 -2.371 -3.920 3.142 1.00 0.00 N ATOM 552 CA TRP A 119 -1.587 -3.868 1.877 1.00 0.00 C ATOM 553 C TRP A 119 -2.541 -3.886 0.680 1.00 0.00 C ATOM 554 O TRP A 119 -3.244 -4.850 0.448 1.00 0.00 O ATOM 555 CB TRP A 119 -0.656 -5.081 1.804 1.00 0.00 C ATOM 556 CG TRP A 119 0.441 -4.932 2.809 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.509 -5.591 3.989 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.626 -4.086 2.744 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.659 -5.204 4.652 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.381 -4.277 3.926 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.115 -3.180 1.785 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.577 -3.595 4.148 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.319 -2.491 2.006 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.048 -2.698 3.185 1.00 0.00 C ATOM 0 H TRP A 119 -2.809 -4.819 3.345 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.996 -2.952 1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.217 -5.995 1.996 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.236 -5.170 0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.217 -6.303 4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.940 -5.560 5.566 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.561 -3.013 0.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.135 -3.759 5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.685 -1.798 1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.973 -2.165 3.349 1.00 0.00 H new ATOM 575 N TRP A 120 -2.571 -2.826 -0.082 1.00 0.00 N ATOM 576 CA TRP A 120 -3.479 -2.782 -1.264 1.00 0.00 C ATOM 577 C TRP A 120 -2.698 -3.159 -2.523 1.00 0.00 C ATOM 578 O TRP A 120 -1.501 -2.964 -2.607 1.00 0.00 O ATOM 579 CB TRP A 120 -4.040 -1.367 -1.427 1.00 0.00 C ATOM 580 CG TRP A 120 -5.270 -1.213 -0.591 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.756 -2.148 0.258 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.178 -0.077 -0.512 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.902 -1.655 0.856 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.203 -0.383 0.413 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.209 1.179 -1.146 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -8.225 0.523 0.699 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.237 2.094 -0.861 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.242 1.767 0.060 1.00 0.00 C ATOM 0 H TRP A 120 -2.006 -1.989 0.063 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.297 -3.486 -1.115 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.292 -0.632 -1.129 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.274 -1.177 -2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.321 -3.120 0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.457 -2.169 1.541 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.438 1.441 -1.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.997 0.265 1.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.253 3.055 -1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.029 2.475 0.276 1.00 0.00 H new ATOM 599 N GLU A 121 -3.367 -3.688 -3.510 1.00 0.00 N ATOM 600 CA GLU A 121 -2.666 -4.068 -4.768 1.00 0.00 C ATOM 601 C GLU A 121 -2.877 -2.968 -5.808 1.00 0.00 C ATOM 602 O GLU A 121 -3.986 -2.701 -6.227 1.00 0.00 O ATOM 603 CB GLU A 121 -3.238 -5.387 -5.295 1.00 0.00 C ATOM 604 CG GLU A 121 -3.615 -6.287 -4.117 1.00 0.00 C ATOM 605 CD GLU A 121 -3.862 -7.709 -4.623 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.200 -8.104 -5.569 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.709 -8.380 -4.057 1.00 0.00 O ATOM 0 H GLU A 121 -4.370 -3.874 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.601 -4.191 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.114 -5.194 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.505 -5.887 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.817 -6.287 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.509 -5.904 -3.624 1.00 0.00 H new ATOM 614 N ALA A 122 -1.825 -2.319 -6.225 1.00 0.00 N ATOM 615 CA ALA A 122 -1.975 -1.230 -7.232 1.00 0.00 C ATOM 616 C ALA A 122 -1.029 -1.479 -8.408 1.00 0.00 C ATOM 617 O ALA A 122 0.057 -2.001 -8.246 1.00 0.00 O ATOM 618 CB ALA A 122 -1.634 0.112 -6.583 1.00 0.00 C ATOM 0 H ALA A 122 -0.870 -2.495 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.003 -1.213 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.743 0.910 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.309 0.294 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.606 0.090 -6.221 1.00 0.00 H new ATOM 624 N ARG A 123 -1.431 -1.107 -9.593 1.00 0.00 N ATOM 625 CA ARG A 123 -0.553 -1.318 -10.776 1.00 0.00 C ATOM 626 C ARG A 123 0.045 0.023 -11.210 1.00 0.00 C ATOM 627 O ARG A 123 -0.645 1.020 -11.302 1.00 0.00 O ATOM 628 CB ARG A 123 -1.372 -1.908 -11.925 1.00 0.00 C ATOM 629 CG ARG A 123 -0.428 -2.431 -13.008 1.00 0.00 C ATOM 630 CD ARG A 123 -1.179 -3.408 -13.915 1.00 0.00 C ATOM 631 NE ARG A 123 -1.796 -2.661 -15.046 1.00 0.00 N ATOM 632 CZ ARG A 123 -2.113 -3.288 -16.147 1.00 0.00 C ATOM 633 NH1 ARG A 123 -1.249 -4.085 -16.714 1.00 0.00 N ATOM 634 NH2 ARG A 123 -3.292 -3.116 -16.677 1.00 0.00 N ATOM 0 H ARG A 123 -2.329 -0.666 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 123 0.249 -2.008 -10.514 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.004 -2.716 -11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.035 -1.149 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.037 -1.601 -13.596 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.427 -2.928 -12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.495 -4.166 -14.296 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.949 -3.930 -13.347 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.971 -1.660 -14.961 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.328 -4.218 -16.297 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.495 -4.575 -17.574 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.965 -2.492 -16.232 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.541 -3.605 -17.537 1.00 0.00 H new ATOM 648 N SER A 124 1.321 0.056 -11.475 1.00 0.00 N ATOM 649 CA SER A 124 1.962 1.333 -11.899 1.00 0.00 C ATOM 650 C SER A 124 1.562 1.654 -13.340 1.00 0.00 C ATOM 651 O SER A 124 1.628 0.814 -14.216 1.00 0.00 O ATOM 652 CB SER A 124 3.483 1.193 -11.811 1.00 0.00 C ATOM 653 OG SER A 124 3.814 0.352 -10.713 1.00 0.00 O ATOM 0 H SER A 124 1.948 -0.746 -11.416 1.00 0.00 H new ATOM 0 HA SER A 124 1.632 2.139 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.875 0.773 -12.737 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.943 2.173 -11.685 1.00 0.00 H new ATOM 0 HG SER A 124 4.788 0.259 -10.654 1.00 0.00 H new ATOM 659 N LEU A 125 1.147 2.865 -13.592 1.00 0.00 N ATOM 660 CA LEU A 125 0.742 3.244 -14.975 1.00 0.00 C ATOM 661 C LEU A 125 1.990 3.419 -15.843 1.00 0.00 C ATOM 662 O LEU A 125 1.926 3.371 -17.055 1.00 0.00 O ATOM 663 CB LEU A 125 -0.041 4.558 -14.936 1.00 0.00 C ATOM 664 CG LEU A 125 -1.354 4.350 -14.181 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.872 5.697 -13.673 1.00 0.00 C ATOM 666 CD2 LEU A 125 -2.390 3.729 -15.121 1.00 0.00 C ATOM 0 H LEU A 125 1.071 3.609 -12.899 1.00 0.00 H new ATOM 0 HA LEU A 125 0.114 2.459 -15.397 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.552 5.332 -14.449 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.243 4.903 -15.950 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.183 3.684 -13.335 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.808 5.547 -13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.135 6.141 -13.003 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.042 6.364 -14.518 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.326 3.580 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.559 4.395 -15.967 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.023 2.769 -15.483 1.00 0.00 H new ATOM 678 N THR A 126 3.125 3.621 -15.232 1.00 0.00 N ATOM 679 CA THR A 126 4.375 3.799 -16.023 1.00 0.00 C ATOM 680 C THR A 126 4.992 2.429 -16.317 1.00 0.00 C ATOM 681 O THR A 126 4.988 1.964 -17.439 1.00 0.00 O ATOM 682 CB THR A 126 5.369 4.646 -15.225 1.00 0.00 C ATOM 683 OG1 THR A 126 4.746 5.861 -14.834 1.00 0.00 O ATOM 684 CG2 THR A 126 6.592 4.953 -16.090 1.00 0.00 C ATOM 0 H THR A 126 3.241 3.670 -14.220 1.00 0.00 H new ATOM 0 HA THR A 126 4.142 4.302 -16.962 1.00 0.00 H new ATOM 0 HB THR A 126 5.684 4.097 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.381 6.404 -14.321 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.299 5.556 -15.520 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.070 4.020 -16.389 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.281 5.502 -16.979 1.00 0.00 H new ATOM 692 N THR A 127 5.522 1.779 -15.316 1.00 0.00 N ATOM 693 CA THR A 127 6.138 0.440 -15.542 1.00 0.00 C ATOM 694 C THR A 127 5.055 -0.552 -15.970 1.00 0.00 C ATOM 695 O THR A 127 5.243 -1.337 -16.879 1.00 0.00 O ATOM 696 CB THR A 127 6.795 -0.050 -14.248 1.00 0.00 C ATOM 697 OG1 THR A 127 6.306 0.708 -13.150 1.00 0.00 O ATOM 698 CG2 THR A 127 8.312 0.115 -14.347 1.00 0.00 C ATOM 0 H THR A 127 5.555 2.116 -14.354 1.00 0.00 H new ATOM 0 HA THR A 127 6.893 0.517 -16.324 1.00 0.00 H new ATOM 0 HB THR A 127 6.555 -1.103 -14.098 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.725 0.393 -12.322 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.777 -0.234 -13.425 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.688 -0.470 -15.187 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.554 1.167 -14.500 1.00 0.00 H new ATOM 706 N GLY A 128 3.922 -0.525 -15.324 1.00 0.00 N ATOM 707 CA GLY A 128 2.828 -1.465 -15.696 1.00 0.00 C ATOM 708 C GLY A 128 2.878 -2.695 -14.788 1.00 0.00 C ATOM 709 O GLY A 128 2.002 -3.537 -14.818 1.00 0.00 O ATOM 0 H GLY A 128 3.707 0.108 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.862 -0.970 -15.602 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.932 -1.766 -16.739 1.00 0.00 H new ATOM 713 N GLU A 129 3.896 -2.809 -13.979 1.00 0.00 N ATOM 714 CA GLU A 129 3.998 -3.986 -13.072 1.00 0.00 C ATOM 715 C GLU A 129 2.998 -3.830 -11.925 1.00 0.00 C ATOM 716 O GLU A 129 2.654 -2.733 -11.532 1.00 0.00 O ATOM 717 CB GLU A 129 5.415 -4.074 -12.506 1.00 0.00 C ATOM 718 CG GLU A 129 6.133 -5.281 -13.114 1.00 0.00 C ATOM 719 CD GLU A 129 6.119 -6.440 -12.117 1.00 0.00 C ATOM 720 OE1 GLU A 129 6.803 -6.338 -11.111 1.00 0.00 O ATOM 721 OE2 GLU A 129 5.425 -7.410 -12.374 1.00 0.00 O ATOM 0 H GLU A 129 4.661 -2.138 -13.907 1.00 0.00 H new ATOM 0 HA GLU A 129 3.775 -4.896 -13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.965 -3.160 -12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.379 -4.167 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.644 -5.579 -14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.160 -5.017 -13.366 1.00 0.00 H new ATOM 728 N THR A 130 2.529 -4.920 -11.384 1.00 0.00 N ATOM 729 CA THR A 130 1.552 -4.833 -10.262 1.00 0.00 C ATOM 730 C THR A 130 2.228 -5.258 -8.958 1.00 0.00 C ATOM 731 O THR A 130 2.984 -6.208 -8.919 1.00 0.00 O ATOM 732 CB THR A 130 0.366 -5.758 -10.547 1.00 0.00 C ATOM 733 OG1 THR A 130 0.096 -5.762 -11.941 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.864 -5.263 -9.786 1.00 0.00 C ATOM 0 H THR A 130 2.780 -5.867 -11.670 1.00 0.00 H new ATOM 0 HA THR A 130 1.199 -3.806 -10.168 1.00 0.00 H new ATOM 0 HB THR A 130 0.607 -6.770 -10.221 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.662 -6.355 -12.126 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.708 -5.922 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.654 -5.262 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 130 -1.108 -4.251 -10.108 1.00 0.00 H new ATOM 742 N GLY A 131 1.958 -4.563 -7.887 1.00 0.00 N ATOM 743 CA GLY A 131 2.582 -4.928 -6.584 1.00 0.00 C ATOM 744 C GLY A 131 1.626 -4.571 -5.444 1.00 0.00 C ATOM 745 O GLY A 131 0.443 -4.386 -5.649 1.00 0.00 O ATOM 0 H GLY A 131 1.332 -3.758 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.808 -5.994 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.527 -4.399 -6.460 1.00 0.00 H new ATOM 749 N TYR A 132 2.126 -4.480 -4.241 1.00 0.00 N ATOM 750 CA TYR A 132 1.238 -4.142 -3.094 1.00 0.00 C ATOM 751 C TYR A 132 1.796 -2.935 -2.337 1.00 0.00 C ATOM 752 O TYR A 132 2.812 -3.020 -1.677 1.00 0.00 O ATOM 753 CB TYR A 132 1.157 -5.339 -2.145 1.00 0.00 C ATOM 754 CG TYR A 132 0.542 -6.513 -2.866 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.217 -7.107 -3.939 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.703 -7.008 -2.462 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.646 -8.196 -4.608 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.274 -8.097 -3.131 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.599 -8.691 -4.203 1.00 0.00 C ATOM 760 OH TYR A 132 -1.162 -9.765 -4.864 1.00 0.00 O ATOM 0 H TYR A 132 3.108 -4.625 -4.004 1.00 0.00 H new ATOM 0 HA TYR A 132 0.244 -3.901 -3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.153 -5.600 -1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.560 -5.083 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 132 2.178 -6.725 -4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.223 -6.550 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.166 -8.654 -5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.235 -8.479 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 132 -1.997 -9.484 -5.293 1.00 0.00 H new ATOM 770 N ILE A 133 1.131 -1.816 -2.418 1.00 0.00 N ATOM 771 CA ILE A 133 1.613 -0.608 -1.691 1.00 0.00 C ATOM 772 C ILE A 133 0.735 -0.387 -0.457 1.00 0.00 C ATOM 773 O ILE A 133 -0.399 -0.822 -0.425 1.00 0.00 O ATOM 774 CB ILE A 133 1.521 0.615 -2.607 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.054 0.881 -2.954 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.308 0.354 -3.893 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.027 1.905 -4.088 1.00 0.00 C ATOM 0 H ILE A 133 0.274 -1.686 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 133 2.650 -0.752 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 133 1.939 1.482 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.434 -0.047 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.476 1.252 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.241 1.226 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.353 0.163 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.891 -0.513 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.072 2.093 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.445 2.835 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.488 1.517 -4.966 1.00 0.00 H new ATOM 789 N PRO A 134 1.283 0.279 0.524 1.00 0.00 N ATOM 790 CA PRO A 134 0.556 0.565 1.772 1.00 0.00 C ATOM 791 C PRO A 134 -0.711 1.371 1.473 1.00 0.00 C ATOM 792 O PRO A 134 -0.670 2.388 0.810 1.00 0.00 O ATOM 793 CB PRO A 134 1.539 1.382 2.621 1.00 0.00 C ATOM 794 CG PRO A 134 2.848 1.542 1.804 1.00 0.00 C ATOM 795 CD PRO A 134 2.657 0.804 0.469 1.00 0.00 C ATOM 0 HA PRO A 134 0.234 -0.341 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.117 2.358 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.738 0.878 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.065 2.596 1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.694 1.128 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.790 1.477 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.384 -0.000 0.354 1.00 0.00 H new ATOM 803 N SER A 135 -1.837 0.919 1.952 1.00 0.00 N ATOM 804 CA SER A 135 -3.108 1.653 1.694 1.00 0.00 C ATOM 805 C SER A 135 -3.048 3.031 2.359 1.00 0.00 C ATOM 806 O SER A 135 -3.508 4.015 1.814 1.00 0.00 O ATOM 807 CB SER A 135 -4.279 0.860 2.274 1.00 0.00 C ATOM 808 OG SER A 135 -4.215 0.901 3.694 1.00 0.00 O ATOM 0 H SER A 135 -1.932 0.072 2.512 1.00 0.00 H new ATOM 0 HA SER A 135 -3.245 1.774 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.224 1.279 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.242 -0.172 1.926 1.00 0.00 H new ATOM 0 HG SER A 135 -4.965 0.395 4.070 1.00 0.00 H new ATOM 814 N ASN A 136 -2.489 3.108 3.535 1.00 0.00 N ATOM 815 CA ASN A 136 -2.404 4.419 4.237 1.00 0.00 C ATOM 816 C ASN A 136 -1.393 5.323 3.526 1.00 0.00 C ATOM 817 O ASN A 136 -1.226 6.475 3.872 1.00 0.00 O ATOM 818 CB ASN A 136 -1.961 4.193 5.684 1.00 0.00 C ATOM 819 CG ASN A 136 -0.487 3.783 5.710 1.00 0.00 C ATOM 820 OD1 ASN A 136 -0.053 2.979 4.909 1.00 0.00 O ATOM 821 ND2 ASN A 136 0.307 4.306 6.604 1.00 0.00 N ATOM 0 H ASN A 136 -2.087 2.319 4.041 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.383 4.899 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.106 5.103 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -2.573 3.418 6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 136 1.291 4.040 6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.057 4.981 7.277 1.00 0.00 H new ATOM 828 N TYR A 137 -0.719 4.811 2.532 1.00 0.00 N ATOM 829 CA TYR A 137 0.279 5.645 1.801 1.00 0.00 C ATOM 830 C TYR A 137 -0.318 6.108 0.470 1.00 0.00 C ATOM 831 O TYR A 137 0.314 6.815 -0.291 1.00 0.00 O ATOM 832 CB TYR A 137 1.537 4.819 1.529 1.00 0.00 C ATOM 833 CG TYR A 137 2.618 5.208 2.508 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.278 5.598 3.808 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.961 5.179 2.114 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.281 5.959 4.716 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.964 5.539 3.022 1.00 0.00 C ATOM 838 CZ TYR A 137 4.624 5.929 4.323 1.00 0.00 C ATOM 839 OH TYR A 137 5.613 6.285 5.217 1.00 0.00 O ATOM 0 H TYR A 137 -0.816 3.853 2.195 1.00 0.00 H new ATOM 0 HA TYR A 137 0.537 6.513 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.314 3.756 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.880 4.985 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.242 5.621 4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.223 4.879 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 137 3.018 6.260 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 137 6.000 5.516 2.719 1.00 0.00 H new ATOM 0 HH TYR A 137 6.489 6.208 4.784 1.00 0.00 H new ATOM 849 N VAL A 138 -1.528 5.715 0.180 1.00 0.00 N ATOM 850 CA VAL A 138 -2.158 6.133 -1.104 1.00 0.00 C ATOM 851 C VAL A 138 -3.564 6.671 -0.832 1.00 0.00 C ATOM 852 O VAL A 138 -4.222 6.271 0.108 1.00 0.00 O ATOM 853 CB VAL A 138 -2.245 4.930 -2.043 1.00 0.00 C ATOM 854 CG1 VAL A 138 -0.834 4.449 -2.388 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.016 3.801 -1.356 1.00 0.00 C ATOM 0 H VAL A 138 -2.107 5.123 0.776 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.555 6.914 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.763 5.219 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -0.896 3.591 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.285 5.253 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.315 4.160 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.078 2.943 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.499 3.511 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.021 4.144 -1.111 1.00 0.00 H new ATOM 865 N ALA A 139 -4.029 7.573 -1.651 1.00 0.00 N ATOM 866 CA ALA A 139 -5.392 8.138 -1.445 1.00 0.00 C ATOM 867 C ALA A 139 -6.061 8.354 -2.806 1.00 0.00 C ATOM 868 O ALA A 139 -5.396 8.396 -3.822 1.00 0.00 O ATOM 869 CB ALA A 139 -5.283 9.476 -0.710 1.00 0.00 C ATOM 0 H ALA A 139 -3.523 7.944 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.989 7.446 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.280 9.890 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.803 9.322 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.688 10.170 -1.304 1.00 0.00 H new ATOM 875 N PRO A 140 -7.364 8.484 -2.784 1.00 0.00 N ATOM 876 CA PRO A 140 -8.152 8.696 -4.012 1.00 0.00 C ATOM 877 C PRO A 140 -7.731 10.000 -4.696 1.00 0.00 C ATOM 878 O PRO A 140 -7.281 10.929 -4.057 1.00 0.00 O ATOM 879 CB PRO A 140 -9.608 8.784 -3.533 1.00 0.00 C ATOM 880 CG PRO A 140 -9.609 8.614 -1.991 1.00 0.00 C ATOM 881 CD PRO A 140 -8.152 8.429 -1.541 1.00 0.00 C ATOM 0 HA PRO A 140 -8.007 7.898 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.045 9.743 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.213 8.009 -4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.050 9.487 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.211 7.753 -1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.850 9.213 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.014 7.478 -1.027 1.00 0.00 H new ATOM 889 N VAL A 141 -7.874 10.074 -5.991 1.00 0.00 N ATOM 890 CA VAL A 141 -7.481 11.316 -6.715 1.00 0.00 C ATOM 891 C VAL A 141 -8.486 12.428 -6.403 1.00 0.00 C ATOM 892 O VAL A 141 -9.582 12.106 -5.975 1.00 0.00 O ATOM 893 CB VAL A 141 -7.472 11.046 -8.221 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.830 10.487 -8.648 1.00 0.00 C ATOM 895 CG2 VAL A 141 -7.200 12.352 -8.971 1.00 0.00 C ATOM 896 OXT VAL A 141 -8.141 13.582 -6.596 1.00 0.00 O ATOM 0 H VAL A 141 -8.246 9.328 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.486 11.625 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.692 10.322 -8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -8.823 10.295 -9.721 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -9.025 9.557 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.611 11.210 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -7.193 12.161 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.981 13.076 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.232 12.751 -8.668 1.00 0.00 H new