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 Set 1.1: A 135 SER OG : rot 180:sc= -0.0123 USER MOD Set 1.2: A 136 ASN : amide:sc= -3.06! K(o=-3.1!,f=-1.3) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 135:sc= 0.798 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.26) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= -0.0425 (180deg=-0.336) USER MOD Single : A 110 GLN : amide:sc= -0.0932 X(o=-0.093,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.525! USER MOD Single : A 130 THR OG1 : rot 21:sc= 0.868 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -8.564 5.772 -9.137 1.00 0.00 N ATOM 34 CA LEU A 86 -7.103 6.065 -9.204 1.00 0.00 C ATOM 35 C LEU A 86 -6.613 6.555 -7.839 1.00 0.00 C ATOM 36 O LEU A 86 -7.340 7.186 -7.097 1.00 0.00 O ATOM 37 CB LEU A 86 -6.854 7.153 -10.251 1.00 0.00 C ATOM 38 CG LEU A 86 -5.395 7.101 -10.708 1.00 0.00 C ATOM 39 CD1 LEU A 86 -5.314 6.430 -12.079 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.841 8.526 -10.805 1.00 0.00 C ATOM 0 HA LEU A 86 -6.563 5.158 -9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.518 7.010 -11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.080 8.134 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.809 6.530 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.275 6.393 -12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.710 5.417 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.900 7.001 -12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.801 8.491 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.428 9.096 -11.525 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.899 9.006 -9.828 1.00 0.00 H new ATOM 52 N PHE A 87 -5.383 6.273 -7.504 1.00 0.00 N ATOM 53 CA PHE A 87 -4.844 6.726 -6.189 1.00 0.00 C ATOM 54 C PHE A 87 -3.457 7.338 -6.388 1.00 0.00 C ATOM 55 O PHE A 87 -2.741 6.991 -7.304 1.00 0.00 O ATOM 56 CB PHE A 87 -4.729 5.533 -5.236 1.00 0.00 C ATOM 57 CG PHE A 87 -6.106 5.046 -4.855 1.00 0.00 C ATOM 58 CD1 PHE A 87 -6.770 5.609 -3.758 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.716 4.028 -5.595 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.045 5.153 -3.402 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.991 3.571 -5.240 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.655 4.133 -4.143 1.00 0.00 C ATOM 0 H PHE A 87 -4.728 5.749 -8.084 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.520 7.469 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.168 4.729 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.176 5.822 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.299 6.395 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.203 3.594 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.558 5.587 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.462 2.785 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.638 3.780 -3.868 1.00 0.00 H new ATOM 72 N VAL A 88 -3.070 8.238 -5.529 1.00 0.00 N ATOM 73 CA VAL A 88 -1.726 8.864 -5.656 1.00 0.00 C ATOM 74 C VAL A 88 -0.935 8.594 -4.376 1.00 0.00 C ATOM 75 O VAL A 88 -1.501 8.394 -3.321 1.00 0.00 O ATOM 76 CB VAL A 88 -1.874 10.372 -5.855 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.619 10.925 -6.532 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.095 10.653 -6.735 1.00 0.00 C ATOM 0 H VAL A 88 -3.629 8.568 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.203 8.442 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.005 10.854 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.726 12.001 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.250 10.726 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.486 10.443 -7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.201 11.728 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.964 10.170 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.990 10.261 -6.252 1.00 0.00 H new ATOM 88 N ALA A 89 0.366 8.583 -4.457 1.00 0.00 N ATOM 89 CA ALA A 89 1.182 8.317 -3.240 1.00 0.00 C ATOM 90 C ALA A 89 1.444 9.630 -2.499 1.00 0.00 C ATOM 91 O ALA A 89 2.147 10.496 -2.979 1.00 0.00 O ATOM 92 CB ALA A 89 2.515 7.686 -3.646 1.00 0.00 C ATOM 0 H ALA A 89 0.899 8.746 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 89 0.641 7.634 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.112 7.492 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.329 6.748 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.055 8.368 -4.303 1.00 0.00 H new ATOM 98 N LEU A 90 0.886 9.782 -1.329 1.00 0.00 N ATOM 99 CA LEU A 90 1.108 11.037 -0.558 1.00 0.00 C ATOM 100 C LEU A 90 2.483 10.981 0.111 1.00 0.00 C ATOM 101 O LEU A 90 2.973 11.966 0.627 1.00 0.00 O ATOM 102 CB LEU A 90 0.022 11.183 0.512 1.00 0.00 C ATOM 103 CG LEU A 90 -1.322 10.718 -0.049 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.844 9.543 0.782 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.328 11.870 0.015 1.00 0.00 C ATOM 0 H LEU A 90 0.287 9.092 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 90 1.064 11.892 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.283 10.594 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.047 12.222 0.834 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.192 10.403 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.802 9.212 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.129 8.721 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.973 9.858 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.286 11.539 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.456 12.184 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.959 12.709 -0.575 1.00 0.00 H new ATOM 117 N TYR A 91 3.108 9.836 0.106 1.00 0.00 N ATOM 118 CA TYR A 91 4.451 9.715 0.741 1.00 0.00 C ATOM 119 C TYR A 91 5.294 8.708 -0.042 1.00 0.00 C ATOM 120 O TYR A 91 4.777 7.816 -0.684 1.00 0.00 O ATOM 121 CB TYR A 91 4.293 9.235 2.184 1.00 0.00 C ATOM 122 CG TYR A 91 3.368 10.168 2.928 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.848 11.389 3.414 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.029 9.812 3.128 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.990 12.256 4.101 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.170 10.678 3.815 1.00 0.00 C ATOM 127 CZ TYR A 91 1.650 11.900 4.301 1.00 0.00 C ATOM 128 OH TYR A 91 0.803 12.754 4.978 1.00 0.00 O ATOM 0 H TYR A 91 2.747 8.978 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 91 4.945 10.687 0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.893 8.221 2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.265 9.202 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.881 11.663 3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.659 8.870 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.361 13.198 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.137 10.403 3.970 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.091 12.356 5.028 1.00 0.00 H new ATOM 138 N ASP A 92 6.591 8.842 0.008 1.00 0.00 N ATOM 139 CA ASP A 92 7.467 7.892 -0.732 1.00 0.00 C ATOM 140 C ASP A 92 7.471 6.540 -0.019 1.00 0.00 C ATOM 141 O ASP A 92 6.903 6.384 1.044 1.00 0.00 O ATOM 142 CB ASP A 92 8.891 8.447 -0.780 1.00 0.00 C ATOM 143 CG ASP A 92 9.267 9.006 0.593 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.778 8.479 1.580 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.036 9.952 0.636 1.00 0.00 O ATOM 0 H ASP A 92 7.081 9.569 0.530 1.00 0.00 H new ATOM 0 HA ASP A 92 7.091 7.765 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.589 7.661 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.962 9.230 -1.535 1.00 0.00 H new ATOM 150 N TYR A 93 8.110 5.558 -0.594 1.00 0.00 N ATOM 151 CA TYR A 93 8.154 4.216 0.049 1.00 0.00 C ATOM 152 C TYR A 93 9.230 3.364 -0.627 1.00 0.00 C ATOM 153 O TYR A 93 9.458 3.466 -1.817 1.00 0.00 O ATOM 154 CB TYR A 93 6.793 3.532 -0.099 1.00 0.00 C ATOM 155 CG TYR A 93 6.884 2.120 0.426 1.00 0.00 C ATOM 156 CD1 TYR A 93 7.079 1.895 1.794 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.777 1.038 -0.455 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.166 0.585 2.281 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.864 -0.272 0.033 1.00 0.00 C ATOM 160 CZ TYR A 93 7.059 -0.498 1.401 1.00 0.00 C ATOM 161 OH TYR A 93 7.145 -1.789 1.881 1.00 0.00 O ATOM 0 H TYR A 93 8.604 5.628 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 93 8.389 4.328 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.032 4.088 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.489 3.524 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.162 2.731 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.627 1.213 -1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.316 0.410 3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.781 -1.108 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 93 6.434 -2.334 1.484 1.00 0.00 H new ATOM 171 N GLU A 94 9.895 2.526 0.120 1.00 0.00 N ATOM 172 CA GLU A 94 10.957 1.672 -0.484 1.00 0.00 C ATOM 173 C GLU A 94 10.554 0.202 -0.376 1.00 0.00 C ATOM 174 O GLU A 94 10.380 -0.326 0.704 1.00 0.00 O ATOM 175 CB GLU A 94 12.274 1.895 0.260 1.00 0.00 C ATOM 176 CG GLU A 94 12.970 3.139 -0.295 1.00 0.00 C ATOM 177 CD GLU A 94 14.091 3.564 0.656 1.00 0.00 C ATOM 178 OE1 GLU A 94 13.781 3.926 1.779 1.00 0.00 O ATOM 179 OE2 GLU A 94 15.238 3.519 0.244 1.00 0.00 O ATOM 0 H GLU A 94 9.749 2.396 1.121 1.00 0.00 H new ATOM 0 HA GLU A 94 11.082 1.937 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.085 2.016 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.919 1.024 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.378 2.930 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.251 3.950 -0.412 1.00 0.00 H new ATOM 186 N ALA A 95 10.402 -0.464 -1.487 1.00 0.00 N ATOM 187 CA ALA A 95 10.009 -1.900 -1.445 1.00 0.00 C ATOM 188 C ALA A 95 10.894 -2.644 -0.444 1.00 0.00 C ATOM 189 O ALA A 95 12.064 -2.873 -0.685 1.00 0.00 O ATOM 190 CB ALA A 95 10.180 -2.518 -2.835 1.00 0.00 C ATOM 0 H ALA A 95 10.533 -0.076 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 95 8.966 -1.981 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.892 -3.569 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.548 -1.990 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.222 -2.436 -3.144 1.00 0.00 H new ATOM 196 N ARG A 96 10.347 -3.025 0.676 1.00 0.00 N ATOM 197 CA ARG A 96 11.156 -3.757 1.691 1.00 0.00 C ATOM 198 C ARG A 96 10.991 -5.263 1.478 1.00 0.00 C ATOM 199 O ARG A 96 11.711 -6.063 2.041 1.00 0.00 O ATOM 200 CB ARG A 96 10.676 -3.383 3.094 1.00 0.00 C ATOM 201 CG ARG A 96 11.197 -1.991 3.459 1.00 0.00 C ATOM 202 CD ARG A 96 12.640 -2.098 3.955 1.00 0.00 C ATOM 203 NE ARG A 96 13.574 -1.774 2.839 1.00 0.00 N ATOM 204 CZ ARG A 96 14.818 -2.165 2.895 1.00 0.00 C ATOM 205 NH1 ARG A 96 15.544 -1.880 3.941 1.00 0.00 N ATOM 206 NH2 ARG A 96 15.334 -2.842 1.906 1.00 0.00 N ATOM 0 H ARG A 96 9.374 -2.861 0.933 1.00 0.00 H new ATOM 0 HA ARG A 96 12.207 -3.486 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.587 -3.397 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.030 -4.117 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.148 -1.334 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.568 -1.547 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.801 -1.414 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.835 -3.104 4.326 1.00 0.00 H new ATOM 0 HE ARG A 96 13.241 -1.247 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.139 -1.352 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.516 -2.185 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.765 -3.066 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.306 -3.148 1.950 1.00 0.00 H new ATOM 220 N THR A 97 10.045 -5.654 0.669 1.00 0.00 N ATOM 221 CA THR A 97 9.830 -7.105 0.414 1.00 0.00 C ATOM 222 C THR A 97 9.669 -7.336 -1.090 1.00 0.00 C ATOM 223 O THR A 97 9.588 -6.403 -1.864 1.00 0.00 O ATOM 224 CB THR A 97 8.565 -7.568 1.141 1.00 0.00 C ATOM 225 OG1 THR A 97 8.288 -8.918 0.792 1.00 0.00 O ATOM 226 CG2 THR A 97 7.388 -6.681 0.733 1.00 0.00 C ATOM 0 H THR A 97 9.410 -5.029 0.173 1.00 0.00 H new ATOM 0 HA THR A 97 10.686 -7.672 0.780 1.00 0.00 H new ATOM 0 HB THR A 97 8.716 -7.495 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.479 -9.217 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.487 -7.011 1.251 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.602 -5.646 1.001 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.234 -6.753 -0.344 1.00 0.00 H new ATOM 234 N GLU A 98 9.618 -8.569 -1.511 1.00 0.00 N ATOM 235 CA GLU A 98 9.461 -8.851 -2.965 1.00 0.00 C ATOM 236 C GLU A 98 7.979 -8.786 -3.340 1.00 0.00 C ATOM 237 O GLU A 98 7.592 -9.122 -4.442 1.00 0.00 O ATOM 238 CB GLU A 98 10.005 -10.247 -3.277 1.00 0.00 C ATOM 239 CG GLU A 98 11.534 -10.220 -3.236 1.00 0.00 C ATOM 240 CD GLU A 98 12.092 -10.952 -4.458 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.712 -10.595 -5.562 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.888 -11.857 -4.269 1.00 0.00 O ATOM 0 H GLU A 98 9.678 -9.392 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 98 10.015 -8.109 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.624 -10.967 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.663 -10.571 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.890 -9.190 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.892 -10.693 -2.321 1.00 0.00 H new ATOM 249 N ASP A 99 7.145 -8.358 -2.431 1.00 0.00 N ATOM 250 CA ASP A 99 5.688 -8.274 -2.736 1.00 0.00 C ATOM 251 C ASP A 99 5.232 -6.813 -2.688 1.00 0.00 C ATOM 252 O ASP A 99 4.079 -6.507 -2.919 1.00 0.00 O ATOM 253 CB ASP A 99 4.902 -9.085 -1.704 1.00 0.00 C ATOM 254 CG ASP A 99 3.786 -9.860 -2.406 1.00 0.00 C ATOM 255 OD1 ASP A 99 2.711 -9.304 -2.557 1.00 0.00 O ATOM 256 OD2 ASP A 99 4.026 -10.996 -2.781 1.00 0.00 O ATOM 0 H ASP A 99 7.410 -8.063 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 99 5.507 -8.676 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.567 -9.775 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.479 -8.421 -0.950 1.00 0.00 H new ATOM 261 N ASP A 100 6.124 -5.909 -2.388 1.00 0.00 N ATOM 262 CA ASP A 100 5.731 -4.472 -2.327 1.00 0.00 C ATOM 263 C ASP A 100 6.354 -3.722 -3.505 1.00 0.00 C ATOM 264 O ASP A 100 7.187 -4.246 -4.217 1.00 0.00 O ATOM 265 CB ASP A 100 6.225 -3.863 -1.012 1.00 0.00 C ATOM 266 CG ASP A 100 5.548 -4.570 0.163 1.00 0.00 C ATOM 267 OD1 ASP A 100 5.047 -5.664 -0.038 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.541 -4.006 1.245 1.00 0.00 O ATOM 0 H ASP A 100 7.104 -6.102 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 100 4.645 -4.389 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.308 -3.964 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.002 -2.796 -0.986 1.00 0.00 H new ATOM 273 N LEU A 101 5.955 -2.498 -3.717 1.00 0.00 N ATOM 274 CA LEU A 101 6.521 -1.716 -4.852 1.00 0.00 C ATOM 275 C LEU A 101 7.342 -0.546 -4.309 1.00 0.00 C ATOM 276 O LEU A 101 7.354 -0.279 -3.123 1.00 0.00 O ATOM 277 CB LEU A 101 5.379 -1.179 -5.718 1.00 0.00 C ATOM 278 CG LEU A 101 4.492 -2.341 -6.167 1.00 0.00 C ATOM 279 CD1 LEU A 101 3.031 -2.026 -5.840 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.645 -2.542 -7.677 1.00 0.00 C ATOM 0 H LEU A 101 5.262 -2.006 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 101 7.163 -2.360 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.791 -0.455 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.781 -0.657 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 101 4.792 -3.250 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.400 -2.855 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.922 -1.881 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.729 -1.117 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.014 -3.370 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.345 -1.632 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.686 -2.767 -7.911 1.00 0.00 H new ATOM 292 N SER A 102 8.028 0.155 -5.168 1.00 0.00 N ATOM 293 CA SER A 102 8.847 1.311 -4.706 1.00 0.00 C ATOM 294 C SER A 102 8.440 2.561 -5.488 1.00 0.00 C ATOM 295 O SER A 102 8.081 2.487 -6.646 1.00 0.00 O ATOM 296 CB SER A 102 10.328 1.016 -4.947 1.00 0.00 C ATOM 297 OG SER A 102 10.455 -0.234 -5.613 1.00 0.00 O ATOM 0 H SER A 102 8.057 -0.023 -6.172 1.00 0.00 H new ATOM 0 HA SER A 102 8.681 1.476 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.776 1.808 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.865 0.992 -3.999 1.00 0.00 H new ATOM 0 HG SER A 102 11.403 -0.426 -5.771 1.00 0.00 H new ATOM 303 N PHE A 103 8.490 3.707 -4.867 1.00 0.00 N ATOM 304 CA PHE A 103 8.102 4.954 -5.584 1.00 0.00 C ATOM 305 C PHE A 103 8.264 6.157 -4.653 1.00 0.00 C ATOM 306 O PHE A 103 8.781 6.046 -3.560 1.00 0.00 O ATOM 307 CB PHE A 103 6.643 4.850 -6.031 1.00 0.00 C ATOM 308 CG PHE A 103 5.768 4.539 -4.840 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.253 5.582 -4.060 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.470 3.211 -4.516 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.438 5.296 -2.957 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.656 2.924 -3.413 1.00 0.00 C ATOM 313 CZ PHE A 103 4.141 3.968 -2.633 1.00 0.00 C ATOM 0 H PHE A 103 8.782 3.834 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 103 8.744 5.084 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.326 5.785 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.538 4.070 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.484 6.607 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.868 2.407 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.039 6.101 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.425 1.899 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.515 3.747 -1.781 1.00 0.00 H new ATOM 323 N HIS A 104 7.823 7.307 -5.081 1.00 0.00 N ATOM 324 CA HIS A 104 7.947 8.522 -4.228 1.00 0.00 C ATOM 325 C HIS A 104 6.641 9.316 -4.286 1.00 0.00 C ATOM 326 O HIS A 104 5.829 9.129 -5.169 1.00 0.00 O ATOM 327 CB HIS A 104 9.096 9.391 -4.743 1.00 0.00 C ATOM 328 CG HIS A 104 10.338 8.555 -4.869 1.00 0.00 C ATOM 329 ND1 HIS A 104 10.937 8.298 -6.092 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.106 7.907 -3.932 1.00 0.00 C ATOM 331 CE1 HIS A 104 12.015 7.526 -5.862 1.00 0.00 C ATOM 332 NE2 HIS A 104 12.164 7.259 -4.562 1.00 0.00 N ATOM 0 H HIS A 104 7.381 7.458 -5.988 1.00 0.00 H new ATOM 0 HA HIS A 104 8.149 8.227 -3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.835 9.822 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.272 10.222 -4.060 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.917 7.901 -2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.679 7.166 -6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.896 6.700 -4.125 1.00 0.00 H new ATOM 340 N LYS A 105 6.430 10.202 -3.352 1.00 0.00 N ATOM 341 CA LYS A 105 5.175 11.004 -3.359 1.00 0.00 C ATOM 342 C LYS A 105 4.962 11.605 -4.750 1.00 0.00 C ATOM 343 O LYS A 105 5.864 12.170 -5.337 1.00 0.00 O ATOM 344 CB LYS A 105 5.278 12.128 -2.328 1.00 0.00 C ATOM 345 CG LYS A 105 3.927 12.838 -2.213 1.00 0.00 C ATOM 346 CD LYS A 105 4.047 14.013 -1.243 1.00 0.00 C ATOM 347 CE LYS A 105 4.130 15.321 -2.031 1.00 0.00 C ATOM 348 NZ LYS A 105 4.992 16.289 -1.298 1.00 0.00 N ATOM 0 H LYS A 105 7.072 10.405 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 105 4.333 10.360 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.572 11.722 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.050 12.838 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.607 13.193 -3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.167 12.140 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.187 14.034 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.934 13.895 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.538 15.134 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.133 15.738 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.048 17.179 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.584 16.475 -0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.946 15.890 -1.188 1.00 0.00 H new ATOM 362 N GLY A 106 3.776 11.491 -5.281 1.00 0.00 N ATOM 363 CA GLY A 106 3.505 12.057 -6.633 1.00 0.00 C ATOM 364 C GLY A 106 3.292 10.918 -7.633 1.00 0.00 C ATOM 365 O GLY A 106 2.786 11.121 -8.719 1.00 0.00 O ATOM 0 H GLY A 106 2.982 11.030 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.622 12.696 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.340 12.682 -6.951 1.00 0.00 H new ATOM 369 N GLU A 107 3.674 9.724 -7.277 1.00 0.00 N ATOM 370 CA GLU A 107 3.492 8.574 -8.208 1.00 0.00 C ATOM 371 C GLU A 107 2.005 8.226 -8.310 1.00 0.00 C ATOM 372 O GLU A 107 1.227 8.526 -7.426 1.00 0.00 O ATOM 373 CB GLU A 107 4.260 7.361 -7.678 1.00 0.00 C ATOM 374 CG GLU A 107 5.598 7.241 -8.411 1.00 0.00 C ATOM 375 CD GLU A 107 5.834 5.783 -8.813 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.859 5.098 -9.082 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.983 5.376 -8.846 1.00 0.00 O ATOM 0 H GLU A 107 4.105 9.494 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 107 3.871 8.845 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.429 7.465 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.672 6.454 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.598 7.877 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.408 7.588 -7.769 1.00 0.00 H new ATOM 384 N LYS A 108 1.606 7.592 -9.378 1.00 0.00 N ATOM 385 CA LYS A 108 0.169 7.219 -9.533 1.00 0.00 C ATOM 386 C LYS A 108 0.041 5.695 -9.488 1.00 0.00 C ATOM 387 O LYS A 108 0.947 4.976 -9.862 1.00 0.00 O ATOM 388 CB LYS A 108 -0.385 7.738 -10.872 1.00 0.00 C ATOM 389 CG LYS A 108 0.737 8.341 -11.724 1.00 0.00 C ATOM 390 CD LYS A 108 1.209 9.653 -11.091 1.00 0.00 C ATOM 391 CE LYS A 108 0.450 10.825 -11.716 1.00 0.00 C ATOM 392 NZ LYS A 108 0.944 11.054 -13.104 1.00 0.00 N ATOM 0 H LYS A 108 2.212 7.316 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.403 7.669 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.862 6.922 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.152 8.490 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.569 7.640 -11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.381 8.521 -12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.041 9.630 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.281 9.778 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.619 10.614 -11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.590 11.724 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.789 12.048 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.960 10.838 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.428 10.436 -13.762 1.00 0.00 H new ATOM 406 N PHE A 109 -1.073 5.195 -9.029 1.00 0.00 N ATOM 407 CA PHE A 109 -1.253 3.717 -8.958 1.00 0.00 C ATOM 408 C PHE A 109 -2.717 3.361 -9.220 1.00 0.00 C ATOM 409 O PHE A 109 -3.621 4.080 -8.840 1.00 0.00 O ATOM 410 CB PHE A 109 -0.860 3.221 -7.564 1.00 0.00 C ATOM 411 CG PHE A 109 0.612 3.467 -7.334 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.565 2.723 -8.039 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.023 4.438 -6.413 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.930 2.950 -7.823 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.387 4.665 -6.197 1.00 0.00 C ATOM 416 CZ PHE A 109 3.341 3.922 -6.902 1.00 0.00 C ATOM 0 H PHE A 109 -1.866 5.745 -8.700 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.622 3.244 -9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.448 3.737 -6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.080 2.158 -7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.248 1.974 -8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.287 5.012 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.666 2.376 -8.366 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.704 5.414 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.394 4.098 -6.736 1.00 0.00 H new ATOM 426 N GLN A 110 -2.958 2.251 -9.864 1.00 0.00 N ATOM 427 CA GLN A 110 -4.363 1.840 -10.145 1.00 0.00 C ATOM 428 C GLN A 110 -4.743 0.696 -9.201 1.00 0.00 C ATOM 429 O GLN A 110 -4.417 -0.450 -9.437 1.00 0.00 O ATOM 430 CB GLN A 110 -4.477 1.369 -11.596 1.00 0.00 C ATOM 431 CG GLN A 110 -4.665 2.580 -12.513 1.00 0.00 C ATOM 432 CD GLN A 110 -5.901 2.370 -13.388 1.00 0.00 C ATOM 433 OE1 GLN A 110 -5.911 1.517 -14.252 1.00 0.00 O ATOM 434 NE2 GLN A 110 -6.955 3.117 -13.199 1.00 0.00 N ATOM 0 H GLN A 110 -2.242 1.611 -10.208 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.035 2.684 -9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.581 0.819 -11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.319 0.685 -11.702 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.777 3.486 -11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.783 2.717 -13.138 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.948 3.834 -12.474 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -7.785 2.983 -13.777 1.00 0.00 H new ATOM 443 N ILE A 111 -5.422 1.001 -8.129 1.00 0.00 N ATOM 444 CA ILE A 111 -5.813 -0.065 -7.164 1.00 0.00 C ATOM 445 C ILE A 111 -6.806 -1.030 -7.818 1.00 0.00 C ATOM 446 O ILE A 111 -7.765 -0.623 -8.442 1.00 0.00 O ATOM 447 CB ILE A 111 -6.466 0.575 -5.935 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.416 1.364 -5.148 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.054 -0.518 -5.042 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.327 0.414 -4.646 1.00 0.00 C ATOM 0 H ILE A 111 -5.723 1.943 -7.880 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.922 -0.617 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.260 1.249 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.976 2.135 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.885 1.873 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.519 -0.063 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.803 -1.080 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.260 -1.192 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.581 0.979 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.773 -0.340 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.850 -0.074 -5.496 1.00 0.00 H new ATOM 462 N LEU A 112 -6.586 -2.308 -7.665 1.00 0.00 N ATOM 463 CA LEU A 112 -7.518 -3.307 -8.260 1.00 0.00 C ATOM 464 C LEU A 112 -8.325 -3.954 -7.135 1.00 0.00 C ATOM 465 O LEU A 112 -9.512 -4.184 -7.259 1.00 0.00 O ATOM 466 CB LEU A 112 -6.724 -4.388 -8.997 1.00 0.00 C ATOM 467 CG LEU A 112 -5.469 -3.774 -9.619 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.706 -4.849 -10.395 1.00 0.00 C ATOM 469 CD2 LEU A 112 -5.874 -2.648 -10.573 1.00 0.00 C ATOM 0 H LEU A 112 -5.798 -2.704 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.184 -2.811 -8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.447 -5.184 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.342 -4.841 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.831 -3.373 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.811 -4.412 -10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.419 -5.653 -9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.343 -5.250 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.981 -2.209 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.511 -3.050 -11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.419 -1.882 -10.021 1.00 0.00 H new ATOM 481 N ASN A 113 -7.686 -4.245 -6.036 1.00 0.00 N ATOM 482 CA ASN A 113 -8.410 -4.874 -4.897 1.00 0.00 C ATOM 483 C ASN A 113 -7.794 -4.405 -3.575 1.00 0.00 C ATOM 484 O ASN A 113 -6.610 -4.555 -3.339 1.00 0.00 O ATOM 485 CB ASN A 113 -8.302 -6.397 -5.000 1.00 0.00 C ATOM 486 CG ASN A 113 -9.672 -6.980 -5.351 1.00 0.00 C ATOM 487 OD1 ASN A 113 -10.090 -6.935 -6.491 1.00 0.00 O ATOM 488 ND2 ASN A 113 -10.393 -7.531 -4.413 1.00 0.00 N ATOM 0 H ASN A 113 -6.693 -4.074 -5.878 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.460 -4.582 -4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.572 -6.670 -5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.949 -6.812 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.307 -7.924 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -10.042 -7.569 -3.456 1.00 0.00 H new ATOM 495 N SER A 114 -8.593 -3.842 -2.710 1.00 0.00 N ATOM 496 CA SER A 114 -8.067 -3.366 -1.399 1.00 0.00 C ATOM 497 C SER A 114 -8.772 -4.132 -0.272 1.00 0.00 C ATOM 498 O SER A 114 -8.456 -5.275 -0.007 1.00 0.00 O ATOM 499 CB SER A 114 -8.335 -1.865 -1.261 1.00 0.00 C ATOM 500 OG SER A 114 -9.619 -1.568 -1.793 1.00 0.00 O ATOM 0 H SER A 114 -9.591 -3.691 -2.856 1.00 0.00 H new ATOM 0 HA SER A 114 -6.993 -3.542 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.285 -1.570 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.569 -1.297 -1.789 1.00 0.00 H new ATOM 0 HG SER A 114 -9.795 -0.608 -1.705 1.00 0.00 H new ATOM 539 N ASP A 118 -3.829 -3.009 5.674 1.00 0.00 N ATOM 540 CA ASP A 118 -3.146 -1.746 5.276 1.00 0.00 C ATOM 541 C ASP A 118 -2.296 -1.994 4.028 1.00 0.00 C ATOM 542 O ASP A 118 -1.330 -1.301 3.777 1.00 0.00 O ATOM 543 CB ASP A 118 -2.247 -1.273 6.420 1.00 0.00 C ATOM 544 CG ASP A 118 -3.022 -0.302 7.313 1.00 0.00 C ATOM 545 OD1 ASP A 118 -3.721 -0.770 8.196 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.903 0.892 7.096 1.00 0.00 O ATOM 0 HA ASP A 118 -3.893 -0.982 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.905 -2.127 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.358 -0.785 6.020 1.00 0.00 H new ATOM 551 N TRP A 119 -2.645 -2.977 3.244 1.00 0.00 N ATOM 552 CA TRP A 119 -1.854 -3.266 2.014 1.00 0.00 C ATOM 553 C TRP A 119 -2.800 -3.496 0.833 1.00 0.00 C ATOM 554 O TRP A 119 -3.597 -4.412 0.833 1.00 0.00 O ATOM 555 CB TRP A 119 -1.007 -4.521 2.236 1.00 0.00 C ATOM 556 CG TRP A 119 0.119 -4.206 3.166 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.137 -4.491 4.488 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.389 -3.554 2.870 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.336 -4.055 5.022 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.142 -3.471 4.064 1.00 0.00 C ATOM 561 CE3 TRP A 119 1.954 -3.032 1.693 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.411 -2.892 4.091 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.232 -2.448 1.715 1.00 0.00 C ATOM 564 CH2 TRP A 119 3.958 -2.378 2.912 1.00 0.00 C ATOM 0 H TRP A 119 -3.443 -3.592 3.402 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.204 -2.418 1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.623 -5.319 2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.616 -4.882 1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.655 -4.979 5.037 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.594 -4.153 6.004 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.402 -3.080 0.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.966 -2.841 5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.657 -2.051 0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.939 -1.927 2.923 1.00 0.00 H new ATOM 575 N TRP A 120 -2.714 -2.674 -0.176 1.00 0.00 N ATOM 576 CA TRP A 120 -3.604 -2.848 -1.359 1.00 0.00 C ATOM 577 C TRP A 120 -2.767 -3.271 -2.568 1.00 0.00 C ATOM 578 O TRP A 120 -1.570 -3.067 -2.610 1.00 0.00 O ATOM 579 CB TRP A 120 -4.299 -1.523 -1.675 1.00 0.00 C ATOM 580 CG TRP A 120 -5.254 -1.175 -0.580 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.545 -1.960 0.483 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.050 0.035 -0.425 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.468 -1.307 1.281 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.810 -0.073 0.762 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.181 1.205 -1.195 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.672 0.944 1.172 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.048 2.231 -0.786 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.792 2.101 0.397 1.00 0.00 C ATOM 0 H TRP A 120 -2.066 -1.889 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.350 -3.612 -1.139 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.558 -0.732 -1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.831 -1.599 -2.623 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.126 -2.936 0.677 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -6.849 -1.690 2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.611 1.315 -2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.243 0.838 2.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.143 3.125 -1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.456 2.894 0.708 1.00 0.00 H new ATOM 599 N GLU A 121 -3.389 -3.851 -3.558 1.00 0.00 N ATOM 600 CA GLU A 121 -2.631 -4.275 -4.770 1.00 0.00 C ATOM 601 C GLU A 121 -2.877 -3.264 -5.889 1.00 0.00 C ATOM 602 O GLU A 121 -3.975 -3.138 -6.388 1.00 0.00 O ATOM 603 CB GLU A 121 -3.112 -5.657 -5.221 1.00 0.00 C ATOM 604 CG GLU A 121 -4.640 -5.709 -5.169 1.00 0.00 C ATOM 605 CD GLU A 121 -5.081 -6.526 -3.955 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.549 -6.293 -2.882 1.00 0.00 O ATOM 607 OE2 GLU A 121 -5.945 -7.374 -4.116 1.00 0.00 O ATOM 0 H GLU A 121 -4.389 -4.050 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.567 -4.322 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.765 -5.862 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.689 -6.429 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -5.047 -4.700 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.031 -6.156 -6.083 1.00 0.00 H new ATOM 614 N ALA A 122 -1.872 -2.533 -6.285 1.00 0.00 N ATOM 615 CA ALA A 122 -2.072 -1.526 -7.366 1.00 0.00 C ATOM 616 C ALA A 122 -1.054 -1.750 -8.486 1.00 0.00 C ATOM 617 O ALA A 122 0.017 -2.280 -8.271 1.00 0.00 O ATOM 618 CB ALA A 122 -1.892 -0.121 -6.790 1.00 0.00 C ATOM 0 H ALA A 122 -0.925 -2.588 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.078 -1.632 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.038 0.617 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.623 0.044 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.886 -0.021 -6.381 1.00 0.00 H new ATOM 624 N ARG A 123 -1.382 -1.337 -9.681 1.00 0.00 N ATOM 625 CA ARG A 123 -0.438 -1.514 -10.818 1.00 0.00 C ATOM 626 C ARG A 123 0.196 -0.162 -11.155 1.00 0.00 C ATOM 627 O ARG A 123 -0.488 0.830 -11.319 1.00 0.00 O ATOM 628 CB ARG A 123 -1.198 -2.044 -12.036 1.00 0.00 C ATOM 629 CG ARG A 123 -0.201 -2.499 -13.104 1.00 0.00 C ATOM 630 CD ARG A 123 -0.888 -3.475 -14.062 1.00 0.00 C ATOM 631 NE ARG A 123 -2.328 -3.114 -14.195 1.00 0.00 N ATOM 632 CZ ARG A 123 -2.843 -2.908 -15.376 1.00 0.00 C ATOM 633 NH1 ARG A 123 -2.524 -1.837 -16.048 1.00 0.00 N ATOM 634 NH2 ARG A 123 -3.678 -3.771 -15.885 1.00 0.00 N ATOM 0 H ARG A 123 -2.265 -0.884 -9.917 1.00 0.00 H new ATOM 0 HA ARG A 123 0.340 -2.226 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.839 -2.876 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.848 -1.267 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.176 -1.637 -13.655 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.658 -2.978 -12.634 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.403 -3.445 -15.038 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.791 -4.495 -13.690 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.911 -3.028 -13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -1.872 -1.161 -15.650 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.926 -1.676 -16.971 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.929 -4.608 -15.360 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.080 -3.608 -16.808 1.00 0.00 H new ATOM 648 N SER A 124 1.495 -0.112 -11.256 1.00 0.00 N ATOM 649 CA SER A 124 2.169 1.179 -11.574 1.00 0.00 C ATOM 650 C SER A 124 1.995 1.502 -13.060 1.00 0.00 C ATOM 651 O SER A 124 2.515 0.819 -13.919 1.00 0.00 O ATOM 652 CB SER A 124 3.659 1.066 -11.247 1.00 0.00 C ATOM 653 OG SER A 124 3.842 0.095 -10.225 1.00 0.00 O ATOM 0 H SER A 124 2.120 -0.909 -11.132 1.00 0.00 H new ATOM 0 HA SER A 124 1.723 1.976 -10.979 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.219 0.783 -12.138 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.046 2.031 -10.921 1.00 0.00 H new ATOM 0 HG SER A 124 4.796 0.018 -10.014 1.00 0.00 H new ATOM 659 N LEU A 125 1.268 2.542 -13.369 1.00 0.00 N ATOM 660 CA LEU A 125 1.063 2.912 -14.798 1.00 0.00 C ATOM 661 C LEU A 125 2.378 3.435 -15.381 1.00 0.00 C ATOM 662 O LEU A 125 2.531 3.560 -16.580 1.00 0.00 O ATOM 663 CB LEU A 125 -0.005 4.003 -14.895 1.00 0.00 C ATOM 664 CG LEU A 125 -1.394 3.368 -14.814 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.456 4.469 -14.768 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.623 2.492 -16.048 1.00 0.00 C ATOM 0 H LEU A 125 0.807 3.151 -12.693 1.00 0.00 H new ATOM 0 HA LEU A 125 0.738 2.035 -15.358 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.124 4.725 -14.089 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.102 4.549 -15.832 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.464 2.758 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.446 4.017 -14.710 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.292 5.097 -13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.387 5.079 -15.669 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.612 2.038 -15.993 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.554 3.105 -16.947 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.866 1.709 -16.084 1.00 0.00 H new ATOM 678 N THR A 126 3.328 3.743 -14.540 1.00 0.00 N ATOM 679 CA THR A 126 4.632 4.259 -15.044 1.00 0.00 C ATOM 680 C THR A 126 5.443 3.106 -15.640 1.00 0.00 C ATOM 681 O THR A 126 5.946 3.195 -16.743 1.00 0.00 O ATOM 682 CB THR A 126 5.412 4.884 -13.885 1.00 0.00 C ATOM 683 OG1 THR A 126 4.739 6.053 -13.439 1.00 0.00 O ATOM 684 CG2 THR A 126 6.822 5.251 -14.352 1.00 0.00 C ATOM 0 H THR A 126 3.257 3.659 -13.526 1.00 0.00 H new ATOM 0 HA THR A 126 4.453 5.011 -15.812 1.00 0.00 H new ATOM 0 HB THR A 126 5.480 4.168 -13.066 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.236 6.453 -12.696 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.375 5.696 -13.525 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.338 4.353 -14.692 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.759 5.966 -15.172 1.00 0.00 H new ATOM 692 N THR A 127 5.575 2.026 -14.921 1.00 0.00 N ATOM 693 CA THR A 127 6.355 0.871 -15.448 1.00 0.00 C ATOM 694 C THR A 127 5.396 -0.166 -16.036 1.00 0.00 C ATOM 695 O THR A 127 5.527 -0.574 -17.173 1.00 0.00 O ATOM 696 CB THR A 127 7.155 0.231 -14.311 1.00 0.00 C ATOM 697 OG1 THR A 127 6.307 -0.637 -13.570 1.00 0.00 O ATOM 698 CG2 THR A 127 7.699 1.324 -13.389 1.00 0.00 C ATOM 0 H THR A 127 5.177 1.893 -13.991 1.00 0.00 H new ATOM 0 HA THR A 127 7.038 1.220 -16.223 1.00 0.00 H new ATOM 0 HB THR A 127 7.987 -0.338 -14.726 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.817 -1.050 -12.842 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.269 0.867 -12.580 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.347 1.990 -13.958 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.869 1.894 -12.972 1.00 0.00 H new ATOM 706 N GLY A 128 4.435 -0.597 -15.266 1.00 0.00 N ATOM 707 CA GLY A 128 3.469 -1.611 -15.773 1.00 0.00 C ATOM 708 C GLY A 128 3.389 -2.773 -14.782 1.00 0.00 C ATOM 709 O GLY A 128 2.377 -3.436 -14.668 1.00 0.00 O ATOM 0 H GLY A 128 4.277 -0.290 -14.306 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.485 -1.160 -15.902 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.785 -1.973 -16.751 1.00 0.00 H new ATOM 713 N GLU A 129 4.448 -3.024 -14.061 1.00 0.00 N ATOM 714 CA GLU A 129 4.433 -4.141 -13.075 1.00 0.00 C ATOM 715 C GLU A 129 3.510 -3.776 -11.910 1.00 0.00 C ATOM 716 O GLU A 129 3.421 -2.631 -11.513 1.00 0.00 O ATOM 717 CB GLU A 129 5.852 -4.379 -12.550 1.00 0.00 C ATOM 718 CG GLU A 129 6.772 -4.749 -13.716 1.00 0.00 C ATOM 719 CD GLU A 129 7.550 -6.021 -13.373 1.00 0.00 C ATOM 720 OE1 GLU A 129 6.923 -7.059 -13.246 1.00 0.00 O ATOM 721 OE2 GLU A 129 8.760 -5.935 -13.247 1.00 0.00 O ATOM 0 H GLU A 129 5.323 -2.503 -14.113 1.00 0.00 H new ATOM 0 HA GLU A 129 4.070 -5.049 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.222 -3.483 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.848 -5.178 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.184 -4.903 -14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.464 -3.932 -13.920 1.00 0.00 H new ATOM 728 N THR A 130 2.820 -4.739 -11.360 1.00 0.00 N ATOM 729 CA THR A 130 1.904 -4.441 -10.223 1.00 0.00 C ATOM 730 C THR A 130 2.485 -5.020 -8.930 1.00 0.00 C ATOM 731 O THR A 130 3.334 -5.888 -8.954 1.00 0.00 O ATOM 732 CB THR A 130 0.535 -5.070 -10.493 1.00 0.00 C ATOM 733 OG1 THR A 130 -0.379 -4.660 -9.485 1.00 0.00 O ATOM 734 CG2 THR A 130 0.659 -6.595 -10.483 1.00 0.00 C ATOM 0 H THR A 130 2.851 -5.717 -11.649 1.00 0.00 H new ATOM 0 HA THR A 130 1.795 -3.361 -10.119 1.00 0.00 H new ATOM 0 HB THR A 130 0.172 -4.745 -11.468 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.050 -3.841 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 130 -0.317 -7.041 -10.675 1.00 0.00 H new ATOM 0 HG22 THR A 130 1.360 -6.908 -11.257 1.00 0.00 H new ATOM 0 HG23 THR A 130 1.023 -6.924 -9.510 1.00 0.00 H new ATOM 742 N GLY A 131 2.032 -4.544 -7.801 1.00 0.00 N ATOM 743 CA GLY A 131 2.557 -5.065 -6.508 1.00 0.00 C ATOM 744 C GLY A 131 1.620 -4.655 -5.371 1.00 0.00 C ATOM 745 O GLY A 131 0.445 -4.420 -5.576 1.00 0.00 O ATOM 0 H GLY A 131 1.321 -3.817 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.641 -6.151 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.558 -4.674 -6.327 1.00 0.00 H new ATOM 749 N TYR A 132 2.128 -4.567 -4.171 1.00 0.00 N ATOM 750 CA TYR A 132 1.265 -4.172 -3.022 1.00 0.00 C ATOM 751 C TYR A 132 1.856 -2.938 -2.336 1.00 0.00 C ATOM 752 O TYR A 132 2.966 -2.962 -1.845 1.00 0.00 O ATOM 753 CB TYR A 132 1.199 -5.325 -2.015 1.00 0.00 C ATOM 754 CG TYR A 132 0.469 -6.493 -2.633 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.056 -7.209 -3.683 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.794 -6.861 -2.155 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.379 -8.292 -4.256 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.470 -7.944 -2.727 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.883 -8.660 -3.777 1.00 0.00 C ATOM 760 OH TYR A 132 -1.552 -9.728 -4.342 1.00 0.00 O ATOM 0 H TYR A 132 3.104 -4.752 -3.937 1.00 0.00 H new ATOM 0 HA TYR A 132 0.263 -3.942 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.205 -5.625 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.687 -5.001 -1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 132 2.031 -6.926 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.247 -6.309 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.831 -8.843 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.445 -8.228 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.414 -9.850 -3.891 1.00 0.00 H new ATOM 770 N ILE A 133 1.120 -1.860 -2.295 1.00 0.00 N ATOM 771 CA ILE A 133 1.638 -0.629 -1.635 1.00 0.00 C ATOM 772 C ILE A 133 0.774 -0.314 -0.408 1.00 0.00 C ATOM 773 O ILE A 133 -0.372 -0.708 -0.345 1.00 0.00 O ATOM 774 CB ILE A 133 1.579 0.546 -2.616 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.141 0.726 -3.110 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.494 0.265 -3.808 1.00 0.00 C ATOM 777 CD1 ILE A 133 0.110 1.769 -4.229 1.00 0.00 C ATOM 0 H ILE A 133 0.183 -1.779 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 133 2.671 -0.788 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 133 1.908 1.455 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.251 -0.224 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.500 1.042 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.451 1.102 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.518 0.137 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 133 2.166 -0.644 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -0.914 1.896 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.485 2.720 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.738 1.435 -5.055 1.00 0.00 H new ATOM 789 N PRO A 134 1.354 0.389 0.532 1.00 0.00 N ATOM 790 CA PRO A 134 0.652 0.768 1.771 1.00 0.00 C ATOM 791 C PRO A 134 -0.575 1.624 1.441 1.00 0.00 C ATOM 792 O PRO A 134 -0.479 2.631 0.768 1.00 0.00 O ATOM 793 CB PRO A 134 1.683 1.576 2.573 1.00 0.00 C ATOM 794 CG PRO A 134 2.991 1.631 1.741 1.00 0.00 C ATOM 795 CD PRO A 134 2.748 0.858 0.435 1.00 0.00 C ATOM 0 HA PRO A 134 0.290 -0.096 2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.312 2.582 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.865 1.109 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.266 2.664 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.817 1.190 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.891 1.497 -0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.441 0.023 0.334 1.00 0.00 H new ATOM 803 N SER A 135 -1.730 1.228 1.905 1.00 0.00 N ATOM 804 CA SER A 135 -2.959 2.018 1.611 1.00 0.00 C ATOM 805 C SER A 135 -2.877 3.376 2.313 1.00 0.00 C ATOM 806 O SER A 135 -3.392 4.367 1.830 1.00 0.00 O ATOM 807 CB SER A 135 -4.191 1.258 2.109 1.00 0.00 C ATOM 808 OG SER A 135 -4.334 1.462 3.509 1.00 0.00 O ATOM 0 H SER A 135 -1.875 0.394 2.473 1.00 0.00 H new ATOM 0 HA SER A 135 -3.040 2.171 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.082 1.605 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.088 0.194 1.893 1.00 0.00 H new ATOM 0 HG SER A 135 -5.123 0.978 3.831 1.00 0.00 H new ATOM 814 N ASN A 136 -2.235 3.433 3.448 1.00 0.00 N ATOM 815 CA ASN A 136 -2.121 4.728 4.179 1.00 0.00 C ATOM 816 C ASN A 136 -1.225 5.685 3.387 1.00 0.00 C ATOM 817 O ASN A 136 -1.165 6.867 3.664 1.00 0.00 O ATOM 818 CB ASN A 136 -1.509 4.485 5.561 1.00 0.00 C ATOM 819 CG ASN A 136 -2.608 4.075 6.544 1.00 0.00 C ATOM 820 OD1 ASN A 136 -2.727 4.641 7.612 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.423 3.107 6.225 1.00 0.00 N ATOM 0 H ASN A 136 -1.784 2.638 3.901 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.112 5.167 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.750 3.705 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.011 5.388 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -4.159 2.826 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -3.324 2.631 5.328 1.00 0.00 H new ATOM 828 N TYR A 137 -0.526 5.183 2.405 1.00 0.00 N ATOM 829 CA TYR A 137 0.366 6.063 1.598 1.00 0.00 C ATOM 830 C TYR A 137 -0.307 6.390 0.264 1.00 0.00 C ATOM 831 O TYR A 137 0.318 6.891 -0.650 1.00 0.00 O ATOM 832 CB TYR A 137 1.688 5.338 1.331 1.00 0.00 C ATOM 833 CG TYR A 137 2.623 5.544 2.497 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.133 5.491 3.806 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.984 5.787 2.268 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.001 5.681 4.888 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.852 5.976 3.350 1.00 0.00 C ATOM 838 CZ TYR A 137 4.360 5.924 4.660 1.00 0.00 C ATOM 839 OH TYR A 137 5.217 6.110 5.726 1.00 0.00 O ATOM 0 H TYR A 137 -0.534 4.202 2.127 1.00 0.00 H new ATOM 0 HA TYR A 137 0.556 6.986 2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.507 4.274 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.143 5.716 0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.084 5.303 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.363 5.828 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.622 5.640 5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.901 6.162 3.174 1.00 0.00 H new ATOM 0 HH TYR A 137 6.125 6.266 5.392 1.00 0.00 H new ATOM 849 N VAL A 138 -1.576 6.111 0.142 1.00 0.00 N ATOM 850 CA VAL A 138 -2.278 6.406 -1.137 1.00 0.00 C ATOM 851 C VAL A 138 -3.618 7.085 -0.847 1.00 0.00 C ATOM 852 O VAL A 138 -4.177 6.946 0.224 1.00 0.00 O ATOM 853 CB VAL A 138 -2.522 5.103 -1.897 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.227 4.668 -2.587 1.00 0.00 C ATOM 855 CG2 VAL A 138 -2.967 4.016 -0.917 1.00 0.00 C ATOM 0 H VAL A 138 -2.155 5.693 0.871 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.660 7.071 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.300 5.258 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.398 3.739 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.909 5.442 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.450 4.513 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.141 3.087 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.189 3.860 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.888 4.326 -0.423 1.00 0.00 H new ATOM 865 N ALA A 139 -4.140 7.820 -1.792 1.00 0.00 N ATOM 866 CA ALA A 139 -5.444 8.505 -1.568 1.00 0.00 C ATOM 867 C ALA A 139 -6.148 8.724 -2.913 1.00 0.00 C ATOM 868 O ALA A 139 -5.504 8.956 -3.917 1.00 0.00 O ATOM 869 CB ALA A 139 -5.197 9.857 -0.896 1.00 0.00 C ATOM 0 H ALA A 139 -3.720 7.975 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.073 7.887 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.149 10.361 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.698 9.702 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.568 10.473 -1.538 1.00 0.00 H new ATOM 875 N PRO A 140 -7.456 8.644 -2.892 1.00 0.00 N ATOM 876 CA PRO A 140 -8.272 8.832 -4.103 1.00 0.00 C ATOM 877 C PRO A 140 -8.052 10.234 -4.678 1.00 0.00 C ATOM 878 O PRO A 140 -7.882 11.194 -3.953 1.00 0.00 O ATOM 879 CB PRO A 140 -9.723 8.664 -3.631 1.00 0.00 C ATOM 880 CG PRO A 140 -9.693 8.369 -2.111 1.00 0.00 C ATOM 881 CD PRO A 140 -8.222 8.361 -1.664 1.00 0.00 C ATOM 0 HA PRO A 140 -8.014 8.124 -4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.298 9.567 -3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.208 7.850 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.255 9.126 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.162 7.408 -1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.037 9.115 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.943 7.398 -1.237 1.00 0.00 H new ATOM 889 N VAL A 141 -8.053 10.358 -5.977 1.00 0.00 N ATOM 890 CA VAL A 141 -7.844 11.697 -6.597 1.00 0.00 C ATOM 891 C VAL A 141 -9.118 12.531 -6.449 1.00 0.00 C ATOM 892 O VAL A 141 -10.153 11.949 -6.171 1.00 0.00 O ATOM 893 CB VAL A 141 -7.518 11.526 -8.083 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.747 10.987 -8.819 1.00 0.00 C ATOM 895 CG2 VAL A 141 -7.123 12.880 -8.677 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.037 13.737 -6.617 1.00 0.00 O ATOM 0 H VAL A 141 -8.189 9.591 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.017 12.203 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.692 10.824 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -8.514 10.866 -9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -9.030 10.023 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.574 11.688 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.891 12.759 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.950 13.582 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.247 13.265 -8.155 1.00 0.00 H new