USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 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 124 SER OG : rot 55:sc= 1.45 USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= -2.67! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 95:sc= 0.826 USER MOD Single : A 97 THR OG1 : rot -172:sc= 0.75 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.86! K(o=-1.9!,f=-0.46) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 114 SER OG : rot 160:sc= -0.461 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -8.148 5.819 -9.082 1.00 0.00 N ATOM 34 CA LEU A 86 -6.798 6.435 -9.212 1.00 0.00 C ATOM 35 C LEU A 86 -6.378 7.038 -7.870 1.00 0.00 C ATOM 36 O LEU A 86 -6.949 8.003 -7.404 1.00 0.00 O ATOM 37 CB LEU A 86 -6.840 7.536 -10.274 1.00 0.00 C ATOM 38 CG LEU A 86 -6.184 7.030 -11.561 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.108 8.170 -12.578 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.771 6.531 -11.251 1.00 0.00 C ATOM 0 HA LEU A 86 -6.079 5.671 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.872 7.828 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.321 8.424 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.777 6.214 -11.973 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.641 7.809 -13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.114 8.527 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.515 8.987 -12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.303 6.170 -12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.179 7.348 -10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.823 5.719 -10.526 1.00 0.00 H new ATOM 52 N PHE A 87 -5.379 6.476 -7.245 1.00 0.00 N ATOM 53 CA PHE A 87 -4.917 7.016 -5.936 1.00 0.00 C ATOM 54 C PHE A 87 -3.439 7.393 -6.040 1.00 0.00 C ATOM 55 O PHE A 87 -2.627 6.628 -6.518 1.00 0.00 O ATOM 56 CB PHE A 87 -5.100 5.951 -4.850 1.00 0.00 C ATOM 57 CG PHE A 87 -6.573 5.677 -4.662 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.324 5.139 -5.713 1.00 0.00 C ATOM 59 CD2 PHE A 87 -7.188 5.962 -3.436 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.690 4.887 -5.540 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.553 5.710 -3.263 1.00 0.00 C ATOM 62 CZ PHE A 87 -9.305 5.171 -4.314 1.00 0.00 C ATOM 0 H PHE A 87 -4.863 5.665 -7.586 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.502 7.899 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.581 5.035 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.659 6.291 -3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.850 4.918 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.608 6.376 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.270 4.474 -6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.027 5.931 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.358 4.974 -4.179 1.00 0.00 H new ATOM 72 N VAL A 88 -3.084 8.570 -5.602 1.00 0.00 N ATOM 73 CA VAL A 88 -1.658 8.998 -5.684 1.00 0.00 C ATOM 74 C VAL A 88 -0.963 8.723 -4.348 1.00 0.00 C ATOM 75 O VAL A 88 -1.584 8.721 -3.303 1.00 0.00 O ATOM 76 CB VAL A 88 -1.588 10.496 -5.993 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.311 10.796 -6.781 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.804 10.907 -6.827 1.00 0.00 C ATOM 0 H VAL A 88 -3.719 9.254 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.160 8.439 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.582 11.056 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.261 11.862 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.558 10.506 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.319 10.233 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.752 11.974 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.811 10.345 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.716 10.695 -6.269 1.00 0.00 H new ATOM 88 N ALA A 89 0.323 8.493 -4.371 1.00 0.00 N ATOM 89 CA ALA A 89 1.055 8.222 -3.103 1.00 0.00 C ATOM 90 C ALA A 89 1.313 9.546 -2.377 1.00 0.00 C ATOM 91 O ALA A 89 2.029 10.400 -2.861 1.00 0.00 O ATOM 92 CB ALA A 89 2.388 7.535 -3.414 1.00 0.00 C ATOM 0 H ALA A 89 0.897 8.481 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 89 0.457 7.568 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.921 7.338 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.200 6.594 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.992 8.183 -4.048 1.00 0.00 H new ATOM 98 N LEU A 90 0.728 9.725 -1.225 1.00 0.00 N ATOM 99 CA LEU A 90 0.929 10.996 -0.472 1.00 0.00 C ATOM 100 C LEU A 90 2.368 11.080 0.044 1.00 0.00 C ATOM 101 O LEU A 90 2.813 12.116 0.496 1.00 0.00 O ATOM 102 CB LEU A 90 -0.042 11.043 0.710 1.00 0.00 C ATOM 103 CG LEU A 90 -1.416 10.541 0.262 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.844 9.366 1.143 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.438 11.672 0.391 1.00 0.00 C ATOM 0 H LEU A 90 0.118 9.045 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 90 0.741 11.839 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.333 10.427 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.121 12.062 1.089 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.362 10.215 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.823 9.009 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.116 8.559 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.898 9.691 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.417 11.315 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.491 11.998 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.135 12.510 -0.237 1.00 0.00 H new ATOM 117 N TYR A 91 3.103 10.002 -0.020 1.00 0.00 N ATOM 118 CA TYR A 91 4.512 10.036 0.471 1.00 0.00 C ATOM 119 C TYR A 91 5.345 9.003 -0.293 1.00 0.00 C ATOM 120 O TYR A 91 4.818 8.154 -0.983 1.00 0.00 O ATOM 121 CB TYR A 91 4.555 9.708 1.968 1.00 0.00 C ATOM 122 CG TYR A 91 3.248 10.088 2.623 1.00 0.00 C ATOM 123 CD1 TYR A 91 2.998 11.422 2.966 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.288 9.105 2.890 1.00 0.00 C ATOM 125 CE1 TYR A 91 1.787 11.772 3.575 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.078 9.455 3.500 1.00 0.00 C ATOM 127 CZ TYR A 91 0.827 10.788 3.843 1.00 0.00 C ATOM 128 OH TYR A 91 -0.366 11.134 4.445 1.00 0.00 O ATOM 0 H TYR A 91 2.791 9.104 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 91 4.919 11.034 0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.745 8.644 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.377 10.244 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.739 12.181 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.481 8.076 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.593 12.801 3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.338 8.696 3.706 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.920 10.333 4.558 1.00 0.00 H new ATOM 138 N ASP A 92 6.643 9.068 -0.169 1.00 0.00 N ATOM 139 CA ASP A 92 7.512 8.089 -0.882 1.00 0.00 C ATOM 140 C ASP A 92 7.527 6.769 -0.109 1.00 0.00 C ATOM 141 O ASP A 92 7.118 6.704 1.034 1.00 0.00 O ATOM 142 CB ASP A 92 8.936 8.643 -0.974 1.00 0.00 C ATOM 143 CG ASP A 92 9.562 8.677 0.421 1.00 0.00 C ATOM 144 OD1 ASP A 92 10.091 7.659 0.836 1.00 0.00 O ATOM 145 OD2 ASP A 92 9.502 9.721 1.051 1.00 0.00 O ATOM 0 H ASP A 92 7.139 9.757 0.396 1.00 0.00 H new ATOM 0 HA ASP A 92 7.124 7.920 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.537 8.022 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.921 9.645 -1.402 1.00 0.00 H new ATOM 150 N TYR A 93 7.991 5.713 -0.720 1.00 0.00 N ATOM 151 CA TYR A 93 8.025 4.402 -0.012 1.00 0.00 C ATOM 152 C TYR A 93 9.044 3.479 -0.683 1.00 0.00 C ATOM 153 O TYR A 93 9.079 3.348 -1.891 1.00 0.00 O ATOM 154 CB TYR A 93 6.637 3.759 -0.074 1.00 0.00 C ATOM 155 CG TYR A 93 6.697 2.370 0.516 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.743 2.202 1.906 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.706 1.251 -0.325 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.797 0.914 2.453 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.759 -0.036 0.223 1.00 0.00 C ATOM 160 CZ TYR A 93 6.805 -0.204 1.612 1.00 0.00 C ATOM 161 OH TYR A 93 6.857 -1.473 2.152 1.00 0.00 O ATOM 0 H TYR A 93 8.347 5.701 -1.676 1.00 0.00 H new ATOM 0 HA TYR A 93 8.312 4.559 1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.918 4.368 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.292 3.712 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.737 3.065 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.672 1.381 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.832 0.784 3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.764 -0.899 -0.426 1.00 0.00 H new ATOM 0 HH TYR A 93 5.949 -1.831 2.233 1.00 0.00 H new ATOM 171 N GLU A 94 9.869 2.830 0.094 1.00 0.00 N ATOM 172 CA GLU A 94 10.878 1.909 -0.498 1.00 0.00 C ATOM 173 C GLU A 94 10.415 0.466 -0.290 1.00 0.00 C ATOM 174 O GLU A 94 10.321 -0.014 0.822 1.00 0.00 O ATOM 175 CB GLU A 94 12.234 2.122 0.184 1.00 0.00 C ATOM 176 CG GLU A 94 12.187 1.560 1.606 1.00 0.00 C ATOM 177 CD GLU A 94 13.388 2.078 2.399 1.00 0.00 C ATOM 178 OE1 GLU A 94 13.964 3.070 1.985 1.00 0.00 O ATOM 179 OE2 GLU A 94 13.712 1.473 3.408 1.00 0.00 O ATOM 0 H GLU A 94 9.887 2.898 1.112 1.00 0.00 H new ATOM 0 HA GLU A 94 10.982 2.111 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.021 1.629 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.477 3.184 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.259 1.857 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.198 0.470 1.578 1.00 0.00 H new ATOM 186 N ALA A 95 10.112 -0.225 -1.353 1.00 0.00 N ATOM 187 CA ALA A 95 9.643 -1.631 -1.217 1.00 0.00 C ATOM 188 C ALA A 95 10.687 -2.456 -0.463 1.00 0.00 C ATOM 189 O ALA A 95 11.734 -2.779 -0.988 1.00 0.00 O ATOM 190 CB ALA A 95 9.426 -2.231 -2.606 1.00 0.00 C ATOM 0 H ALA A 95 10.169 0.123 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 95 8.705 -1.645 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.083 -3.261 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.677 -1.648 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.364 -2.213 -3.161 1.00 0.00 H new ATOM 196 N ARG A 96 10.407 -2.809 0.762 1.00 0.00 N ATOM 197 CA ARG A 96 11.382 -3.623 1.541 1.00 0.00 C ATOM 198 C ARG A 96 11.153 -5.107 1.240 1.00 0.00 C ATOM 199 O ARG A 96 11.786 -5.970 1.815 1.00 0.00 O ATOM 200 CB ARG A 96 11.191 -3.363 3.037 1.00 0.00 C ATOM 201 CG ARG A 96 9.719 -3.551 3.408 1.00 0.00 C ATOM 202 CD ARG A 96 9.585 -3.644 4.929 1.00 0.00 C ATOM 203 NE ARG A 96 10.318 -2.511 5.562 1.00 0.00 N ATOM 204 CZ ARG A 96 10.626 -2.558 6.829 1.00 0.00 C ATOM 205 NH1 ARG A 96 11.721 -3.154 7.213 1.00 0.00 N ATOM 206 NH2 ARG A 96 9.837 -2.011 7.714 1.00 0.00 N ATOM 0 H ARG A 96 9.547 -2.569 1.256 1.00 0.00 H new ATOM 0 HA ARG A 96 12.398 -3.346 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.812 -4.045 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.512 -2.351 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.128 -2.716 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.328 -4.455 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.533 -3.616 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.986 -4.594 5.283 1.00 0.00 H new ATOM 0 HE ARG A 96 10.579 -1.698 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.337 -3.584 6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.961 -3.190 8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.979 -1.547 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.078 -2.048 8.704 1.00 0.00 H new ATOM 220 N THR A 97 10.254 -5.408 0.342 1.00 0.00 N ATOM 221 CA THR A 97 9.987 -6.834 0.000 1.00 0.00 C ATOM 222 C THR A 97 9.639 -6.941 -1.486 1.00 0.00 C ATOM 223 O THR A 97 9.267 -5.972 -2.118 1.00 0.00 O ATOM 224 CB THR A 97 8.817 -7.354 0.839 1.00 0.00 C ATOM 225 OG1 THR A 97 8.391 -8.609 0.327 1.00 0.00 O ATOM 226 CG2 THR A 97 7.659 -6.357 0.779 1.00 0.00 C ATOM 0 H THR A 97 9.693 -4.727 -0.170 1.00 0.00 H new ATOM 0 HA THR A 97 10.874 -7.431 0.211 1.00 0.00 H new ATOM 0 HB THR A 97 9.137 -7.472 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.563 -8.881 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.827 -6.729 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.987 -5.395 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.337 -6.236 -0.255 1.00 0.00 H new ATOM 234 N GLU A 98 9.757 -8.111 -2.050 1.00 0.00 N ATOM 235 CA GLU A 98 9.436 -8.279 -3.495 1.00 0.00 C ATOM 236 C GLU A 98 7.921 -8.206 -3.697 1.00 0.00 C ATOM 237 O GLU A 98 7.442 -7.829 -4.749 1.00 0.00 O ATOM 238 CB GLU A 98 9.950 -9.638 -3.975 1.00 0.00 C ATOM 239 CG GLU A 98 11.415 -9.507 -4.399 1.00 0.00 C ATOM 240 CD GLU A 98 11.852 -10.778 -5.128 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.230 -11.806 -4.912 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.801 -10.703 -5.891 1.00 0.00 O ATOM 0 H GLU A 98 10.062 -8.959 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 98 9.915 -7.485 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.855 -10.377 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.348 -9.992 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.540 -8.641 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.044 -9.342 -3.524 1.00 0.00 H new ATOM 249 N ASP A 99 7.162 -8.563 -2.698 1.00 0.00 N ATOM 250 CA ASP A 99 5.678 -8.514 -2.835 1.00 0.00 C ATOM 251 C ASP A 99 5.206 -7.060 -2.768 1.00 0.00 C ATOM 252 O ASP A 99 4.080 -6.747 -3.100 1.00 0.00 O ATOM 253 CB ASP A 99 5.036 -9.310 -1.697 1.00 0.00 C ATOM 254 CG ASP A 99 5.491 -8.737 -0.354 1.00 0.00 C ATOM 255 OD1 ASP A 99 5.178 -7.588 -0.086 1.00 0.00 O ATOM 256 OD2 ASP A 99 6.144 -9.456 0.384 1.00 0.00 O ATOM 0 H ASP A 99 7.504 -8.886 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 99 5.387 -8.946 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.950 -9.264 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.317 -10.361 -1.770 1.00 0.00 H new ATOM 261 N ASP A 100 6.057 -6.168 -2.340 1.00 0.00 N ATOM 262 CA ASP A 100 5.655 -4.737 -2.252 1.00 0.00 C ATOM 263 C ASP A 100 6.197 -3.976 -3.464 1.00 0.00 C ATOM 264 O ASP A 100 6.973 -4.497 -4.241 1.00 0.00 O ATOM 265 CB ASP A 100 6.224 -4.126 -0.970 1.00 0.00 C ATOM 266 CG ASP A 100 5.273 -4.411 0.195 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.181 -4.892 -0.060 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.654 -4.142 1.323 1.00 0.00 O ATOM 0 H ASP A 100 7.013 -6.369 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 100 4.567 -4.667 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.209 -4.544 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.354 -3.051 -1.093 1.00 0.00 H new ATOM 273 N LEU A 101 5.796 -2.745 -3.630 1.00 0.00 N ATOM 274 CA LEU A 101 6.288 -1.951 -4.792 1.00 0.00 C ATOM 275 C LEU A 101 7.126 -0.774 -4.286 1.00 0.00 C ATOM 276 O LEU A 101 7.150 -0.478 -3.107 1.00 0.00 O ATOM 277 CB LEU A 101 5.094 -1.425 -5.592 1.00 0.00 C ATOM 278 CG LEU A 101 4.229 -2.602 -6.051 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.752 -2.206 -6.000 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.605 -2.981 -7.485 1.00 0.00 C ATOM 0 H LEU A 101 5.149 -2.255 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 101 6.902 -2.584 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.504 -0.743 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.442 -0.858 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 101 4.398 -3.453 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.139 -3.046 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.483 -1.936 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.581 -1.354 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.990 -3.819 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.437 -2.128 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.656 -3.266 -7.522 1.00 0.00 H new ATOM 292 N SER A 102 7.815 -0.101 -5.166 1.00 0.00 N ATOM 293 CA SER A 102 8.653 1.054 -4.732 1.00 0.00 C ATOM 294 C SER A 102 8.304 2.284 -5.573 1.00 0.00 C ATOM 295 O SER A 102 8.133 2.200 -6.772 1.00 0.00 O ATOM 296 CB SER A 102 10.131 0.710 -4.927 1.00 0.00 C ATOM 297 OG SER A 102 10.881 1.913 -5.031 1.00 0.00 O ATOM 0 H SER A 102 7.834 -0.300 -6.166 1.00 0.00 H new ATOM 0 HA SER A 102 8.462 1.266 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.492 0.114 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.261 0.107 -5.826 1.00 0.00 H new ATOM 0 HG SER A 102 11.829 1.698 -5.155 1.00 0.00 H new ATOM 303 N PHE A 103 8.201 3.430 -4.953 1.00 0.00 N ATOM 304 CA PHE A 103 7.867 4.664 -5.721 1.00 0.00 C ATOM 305 C PHE A 103 8.143 5.898 -4.858 1.00 0.00 C ATOM 306 O PHE A 103 8.638 5.798 -3.754 1.00 0.00 O ATOM 307 CB PHE A 103 6.390 4.639 -6.119 1.00 0.00 C ATOM 308 CG PHE A 103 5.545 4.304 -4.914 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.081 5.327 -4.078 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.219 2.972 -4.636 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.294 5.017 -2.964 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.431 2.661 -3.520 1.00 0.00 C ATOM 313 CZ PHE A 103 3.968 3.685 -2.684 1.00 0.00 C ATOM 0 H PHE A 103 8.333 3.564 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 103 8.483 4.705 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.096 5.607 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.228 3.902 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.331 6.355 -4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.575 2.183 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.937 5.807 -2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.181 1.633 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.360 3.447 -1.824 1.00 0.00 H new ATOM 323 N HIS A 104 7.831 7.063 -5.358 1.00 0.00 N ATOM 324 CA HIS A 104 8.078 8.307 -4.572 1.00 0.00 C ATOM 325 C HIS A 104 6.806 9.156 -4.543 1.00 0.00 C ATOM 326 O HIS A 104 5.964 9.058 -5.413 1.00 0.00 O ATOM 327 CB HIS A 104 9.215 9.115 -5.215 1.00 0.00 C ATOM 328 CG HIS A 104 9.348 8.748 -6.671 1.00 0.00 C ATOM 329 ND1 HIS A 104 8.977 9.614 -7.688 1.00 0.00 N ATOM 330 CD2 HIS A 104 9.809 7.614 -7.293 1.00 0.00 C ATOM 331 CE1 HIS A 104 9.219 8.992 -8.857 1.00 0.00 C ATOM 332 NE2 HIS A 104 9.726 7.770 -8.673 1.00 0.00 N ATOM 0 H HIS A 104 7.415 7.208 -6.278 1.00 0.00 H new ATOM 0 HA HIS A 104 8.360 8.035 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.015 10.182 -5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.152 8.918 -4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.180 6.734 -6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.027 9.428 -9.826 1.00 0.00 H new ATOM 0 HE2 HIS A 104 9.995 7.096 -9.390 1.00 0.00 H new ATOM 340 N LYS A 105 6.660 9.990 -3.549 1.00 0.00 N ATOM 341 CA LYS A 105 5.442 10.844 -3.465 1.00 0.00 C ATOM 342 C LYS A 105 5.159 11.466 -4.835 1.00 0.00 C ATOM 343 O LYS A 105 5.991 12.145 -5.401 1.00 0.00 O ATOM 344 CB LYS A 105 5.667 11.956 -2.438 1.00 0.00 C ATOM 345 CG LYS A 105 4.354 12.703 -2.195 1.00 0.00 C ATOM 346 CD LYS A 105 4.643 14.189 -1.968 1.00 0.00 C ATOM 347 CE LYS A 105 3.366 14.999 -2.197 1.00 0.00 C ATOM 348 NZ LYS A 105 3.654 16.448 -1.995 1.00 0.00 N ATOM 0 H LYS A 105 7.332 10.116 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 105 4.592 10.234 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.035 11.533 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.430 12.647 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.689 12.578 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.841 12.285 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.010 14.348 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.426 14.526 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.991 14.829 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.587 14.673 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.786 16.999 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.993 16.602 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.384 16.754 -2.669 1.00 0.00 H new ATOM 362 N GLY A 106 3.990 11.240 -5.370 1.00 0.00 N ATOM 363 CA GLY A 106 3.657 11.821 -6.701 1.00 0.00 C ATOM 364 C GLY A 106 3.344 10.697 -7.689 1.00 0.00 C ATOM 365 O GLY A 106 2.752 10.915 -8.727 1.00 0.00 O ATOM 0 H GLY A 106 3.253 10.679 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.801 12.490 -6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.492 12.418 -7.067 1.00 0.00 H new ATOM 369 N GLU A 107 3.737 9.493 -7.375 1.00 0.00 N ATOM 370 CA GLU A 107 3.460 8.357 -8.299 1.00 0.00 C ATOM 371 C GLU A 107 1.972 8.005 -8.241 1.00 0.00 C ATOM 372 O GLU A 107 1.335 8.126 -7.214 1.00 0.00 O ATOM 373 CB GLU A 107 4.288 7.142 -7.875 1.00 0.00 C ATOM 374 CG GLU A 107 4.873 6.466 -9.116 1.00 0.00 C ATOM 375 CD GLU A 107 6.377 6.735 -9.184 1.00 0.00 C ATOM 376 OE1 GLU A 107 6.750 7.770 -9.711 1.00 0.00 O ATOM 377 OE2 GLU A 107 7.130 5.901 -8.706 1.00 0.00 O ATOM 0 H GLU A 107 4.237 9.247 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 107 3.727 8.642 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.090 7.451 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.665 6.438 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.686 5.393 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.384 6.845 -10.014 1.00 0.00 H new ATOM 384 N LYS A 108 1.413 7.569 -9.335 1.00 0.00 N ATOM 385 CA LYS A 108 -0.036 7.208 -9.339 1.00 0.00 C ATOM 386 C LYS A 108 -0.180 5.687 -9.407 1.00 0.00 C ATOM 387 O LYS A 108 0.682 4.993 -9.909 1.00 0.00 O ATOM 388 CB LYS A 108 -0.732 7.846 -10.547 1.00 0.00 C ATOM 389 CG LYS A 108 0.282 8.098 -11.667 1.00 0.00 C ATOM 390 CD LYS A 108 1.118 9.335 -11.328 1.00 0.00 C ATOM 391 CE LYS A 108 0.820 10.446 -12.337 1.00 0.00 C ATOM 392 NZ LYS A 108 -0.480 11.090 -11.997 1.00 0.00 N ATOM 0 H LYS A 108 1.894 7.446 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.501 7.579 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.527 7.192 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.201 8.785 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.930 7.230 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.236 8.244 -12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.889 9.676 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.179 9.086 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.619 11.187 -12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.782 10.035 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.683 11.845 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.239 10.379 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.427 11.496 -11.041 1.00 0.00 H new ATOM 406 N PHE A 109 -1.264 5.159 -8.902 1.00 0.00 N ATOM 407 CA PHE A 109 -1.456 3.682 -8.934 1.00 0.00 C ATOM 408 C PHE A 109 -2.939 3.352 -9.118 1.00 0.00 C ATOM 409 O PHE A 109 -3.805 4.032 -8.605 1.00 0.00 O ATOM 410 CB PHE A 109 -0.979 3.076 -7.613 1.00 0.00 C ATOM 411 CG PHE A 109 0.493 3.348 -7.423 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.443 2.453 -7.929 1.00 0.00 C ATOM 413 CD2 PHE A 109 0.907 4.492 -6.732 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.807 2.704 -7.744 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.271 4.741 -6.545 1.00 0.00 C ATOM 416 CZ PHE A 109 3.221 3.848 -7.050 1.00 0.00 C ATOM 0 H PHE A 109 -2.022 5.687 -8.470 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.882 3.270 -9.764 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.546 3.499 -6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.162 2.002 -7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.123 1.570 -8.462 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.174 5.183 -6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.541 2.015 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.590 5.623 -6.010 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.274 4.040 -6.905 1.00 0.00 H new ATOM 426 N GLN A 110 -3.235 2.300 -9.831 1.00 0.00 N ATOM 427 CA GLN A 110 -4.658 1.911 -10.029 1.00 0.00 C ATOM 428 C GLN A 110 -4.989 0.771 -9.066 1.00 0.00 C ATOM 429 O GLN A 110 -4.589 -0.359 -9.264 1.00 0.00 O ATOM 430 CB GLN A 110 -4.871 1.444 -11.471 1.00 0.00 C ATOM 431 CG GLN A 110 -5.188 2.652 -12.356 1.00 0.00 C ATOM 432 CD GLN A 110 -6.421 2.353 -13.210 1.00 0.00 C ATOM 433 OE1 GLN A 110 -6.379 1.512 -14.085 1.00 0.00 O ATOM 434 NE2 GLN A 110 -7.526 3.013 -12.993 1.00 0.00 N ATOM 0 H GLN A 110 -2.552 1.693 -10.285 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.307 2.765 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.978 0.936 -11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.688 0.723 -11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.366 3.532 -11.738 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.336 2.880 -12.997 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -7.562 3.720 -12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -8.353 2.822 -13.558 1.00 0.00 H new ATOM 443 N ILE A 111 -5.703 1.061 -8.012 1.00 0.00 N ATOM 444 CA ILE A 111 -6.044 -0.002 -7.025 1.00 0.00 C ATOM 445 C ILE A 111 -7.083 -0.955 -7.618 1.00 0.00 C ATOM 446 O ILE A 111 -8.074 -0.540 -8.184 1.00 0.00 O ATOM 447 CB ILE A 111 -6.612 0.640 -5.757 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.556 1.555 -5.130 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.992 -0.453 -4.759 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.404 0.708 -4.587 1.00 0.00 C ATOM 0 H ILE A 111 -6.065 1.989 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.141 -0.562 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.496 1.225 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.184 2.261 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.000 2.143 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.397 0.004 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.743 -1.106 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.108 -1.037 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.652 1.359 -4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.783 0.020 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.954 0.140 -5.402 1.00 0.00 H new ATOM 462 N LEU A 112 -6.866 -2.235 -7.478 1.00 0.00 N ATOM 463 CA LEU A 112 -7.840 -3.224 -8.017 1.00 0.00 C ATOM 464 C LEU A 112 -8.455 -3.990 -6.844 1.00 0.00 C ATOM 465 O LEU A 112 -9.632 -4.292 -6.832 1.00 0.00 O ATOM 466 CB LEU A 112 -7.121 -4.202 -8.952 1.00 0.00 C ATOM 467 CG LEU A 112 -5.939 -3.498 -9.622 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.235 -4.470 -10.571 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.449 -2.292 -10.414 1.00 0.00 C ATOM 0 H LEU A 112 -6.053 -2.638 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.621 -2.710 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.770 -5.067 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.813 -4.573 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.236 -3.163 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.393 -3.968 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.873 -5.330 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.937 -4.806 -11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.609 -1.789 -10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.152 -2.628 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.950 -1.599 -9.739 1.00 0.00 H new ATOM 481 N ASN A 113 -7.663 -4.294 -5.855 1.00 0.00 N ATOM 482 CA ASN A 113 -8.188 -5.028 -4.669 1.00 0.00 C ATOM 483 C ASN A 113 -7.808 -4.261 -3.401 1.00 0.00 C ATOM 484 O ASN A 113 -6.656 -4.208 -3.019 1.00 0.00 O ATOM 485 CB ASN A 113 -7.576 -6.428 -4.619 1.00 0.00 C ATOM 486 CG ASN A 113 -8.491 -7.360 -3.820 1.00 0.00 C ATOM 487 OD1 ASN A 113 -8.502 -7.324 -2.606 1.00 0.00 O ATOM 488 ND2 ASN A 113 -9.263 -8.199 -4.456 1.00 0.00 N ATOM 0 H ASN A 113 -6.670 -4.065 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.272 -5.113 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.441 -6.813 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.589 -6.388 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.876 -8.825 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.253 -8.229 -5.476 1.00 0.00 H new ATOM 495 N SER A 114 -8.765 -3.659 -2.751 1.00 0.00 N ATOM 496 CA SER A 114 -8.455 -2.892 -1.512 1.00 0.00 C ATOM 497 C SER A 114 -9.598 -3.061 -0.509 1.00 0.00 C ATOM 498 O SER A 114 -10.275 -2.115 -0.161 1.00 0.00 O ATOM 499 CB SER A 114 -8.300 -1.411 -1.862 1.00 0.00 C ATOM 500 OG SER A 114 -9.236 -1.069 -2.876 1.00 0.00 O ATOM 0 H SER A 114 -9.748 -3.665 -3.024 1.00 0.00 H new ATOM 0 HA SER A 114 -7.529 -3.264 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.464 -0.797 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.285 -1.211 -2.205 1.00 0.00 H new ATOM 0 HG SER A 114 -9.373 -0.099 -2.881 1.00 0.00 H new ATOM 539 N ASP A 118 -4.397 -2.462 5.113 1.00 0.00 N ATOM 540 CA ASP A 118 -2.932 -2.552 5.365 1.00 0.00 C ATOM 541 C ASP A 118 -2.176 -2.519 4.034 1.00 0.00 C ATOM 542 O ASP A 118 -1.571 -1.527 3.678 1.00 0.00 O ATOM 543 CB ASP A 118 -2.620 -3.860 6.097 1.00 0.00 C ATOM 544 CG ASP A 118 -2.370 -3.568 7.578 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.176 -2.410 7.910 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.375 -4.508 8.356 1.00 0.00 O ATOM 0 HA ASP A 118 -2.619 -1.707 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.451 -4.557 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.744 -4.336 5.656 1.00 0.00 H new ATOM 551 N TRP A 119 -2.204 -3.595 3.295 1.00 0.00 N ATOM 552 CA TRP A 119 -1.481 -3.618 1.991 1.00 0.00 C ATOM 553 C TRP A 119 -2.479 -3.836 0.853 1.00 0.00 C ATOM 554 O TRP A 119 -3.074 -4.889 0.728 1.00 0.00 O ATOM 555 CB TRP A 119 -0.461 -4.758 1.992 1.00 0.00 C ATOM 556 CG TRP A 119 0.564 -4.514 3.052 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.534 -5.042 4.297 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.767 -3.695 2.984 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.641 -4.599 4.997 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.432 -3.766 4.231 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.341 -2.905 1.971 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.623 -3.078 4.466 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.540 -2.212 2.204 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.179 -2.298 3.449 1.00 0.00 C ATOM 0 H TRP A 119 -2.694 -4.456 3.537 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.968 -2.667 1.848 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.964 -5.709 2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.020 -4.830 1.017 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.230 -5.702 4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.848 -4.856 5.962 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.857 -2.831 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.111 -3.148 5.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.973 -1.609 1.419 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.100 -1.762 3.622 1.00 0.00 H new ATOM 575 N TRP A 120 -2.662 -2.852 0.015 1.00 0.00 N ATOM 576 CA TRP A 120 -3.613 -3.007 -1.121 1.00 0.00 C ATOM 577 C TRP A 120 -2.847 -3.499 -2.349 1.00 0.00 C ATOM 578 O TRP A 120 -1.632 -3.488 -2.379 1.00 0.00 O ATOM 579 CB TRP A 120 -4.253 -1.657 -1.447 1.00 0.00 C ATOM 580 CG TRP A 120 -5.323 -1.338 -0.455 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.752 -2.164 0.527 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.107 -0.117 -0.336 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.749 -1.525 1.242 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.004 -0.260 0.748 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.126 1.090 -1.059 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.888 0.759 1.105 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.013 2.117 -0.704 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.893 1.953 0.376 1.00 0.00 C ATOM 0 H TRP A 120 -2.194 -1.947 0.068 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.389 -3.722 -0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.494 -0.875 -1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.674 -1.680 -2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.378 -3.158 0.721 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.237 -1.938 2.037 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.453 1.227 -1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.563 0.627 1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.018 3.040 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.574 2.748 0.644 1.00 0.00 H new ATOM 599 N GLU A 121 -3.543 -3.916 -3.369 1.00 0.00 N ATOM 600 CA GLU A 121 -2.846 -4.389 -4.597 1.00 0.00 C ATOM 601 C GLU A 121 -3.160 -3.426 -5.744 1.00 0.00 C ATOM 602 O GLU A 121 -4.300 -3.258 -6.131 1.00 0.00 O ATOM 603 CB GLU A 121 -3.313 -5.809 -4.947 1.00 0.00 C ATOM 604 CG GLU A 121 -4.669 -5.763 -5.659 1.00 0.00 C ATOM 605 CD GLU A 121 -5.170 -7.191 -5.885 1.00 0.00 C ATOM 606 OE1 GLU A 121 -5.374 -7.889 -4.906 1.00 0.00 O ATOM 607 OE2 GLU A 121 -5.341 -7.562 -7.035 1.00 0.00 O ATOM 0 H GLU A 121 -4.562 -3.950 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.769 -4.413 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.575 -6.294 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -3.391 -6.407 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -5.388 -5.203 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.575 -5.243 -6.612 1.00 0.00 H new ATOM 614 N ALA A 122 -2.164 -2.780 -6.278 1.00 0.00 N ATOM 615 CA ALA A 122 -2.415 -1.818 -7.387 1.00 0.00 C ATOM 616 C ALA A 122 -1.328 -1.960 -8.452 1.00 0.00 C ATOM 617 O ALA A 122 -0.225 -2.393 -8.176 1.00 0.00 O ATOM 618 CB ALA A 122 -2.400 -0.393 -6.831 1.00 0.00 C ATOM 0 H ALA A 122 -1.188 -2.875 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.386 -2.028 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.583 0.315 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.178 -0.289 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.428 -0.188 -6.382 1.00 0.00 H new ATOM 624 N ARG A 123 -1.631 -1.596 -9.667 1.00 0.00 N ATOM 625 CA ARG A 123 -0.616 -1.703 -10.751 1.00 0.00 C ATOM 626 C ARG A 123 -0.034 -0.317 -11.034 1.00 0.00 C ATOM 627 O ARG A 123 -0.701 0.687 -10.883 1.00 0.00 O ATOM 628 CB ARG A 123 -1.276 -2.251 -12.017 1.00 0.00 C ATOM 629 CG ARG A 123 -2.328 -1.257 -12.513 1.00 0.00 C ATOM 630 CD ARG A 123 -2.233 -1.133 -14.034 1.00 0.00 C ATOM 631 NE ARG A 123 -3.584 -1.325 -14.632 1.00 0.00 N ATOM 632 CZ ARG A 123 -4.172 -2.487 -14.554 1.00 0.00 C ATOM 633 NH1 ARG A 123 -3.581 -3.550 -15.027 1.00 0.00 N ATOM 634 NH2 ARG A 123 -5.352 -2.587 -14.005 1.00 0.00 N ATOM 0 H ARG A 123 -2.538 -1.229 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 123 0.182 -2.378 -10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -0.525 -2.418 -12.789 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.740 -3.215 -11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -3.325 -1.592 -12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -2.173 -0.284 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.839 -0.154 -14.306 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.540 -1.876 -14.428 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.049 -0.548 -15.102 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.660 -3.472 -15.458 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.040 -4.459 -14.966 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -5.815 -1.756 -13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -5.811 -3.496 -13.944 1.00 0.00 H new ATOM 648 N SER A 124 1.204 -0.252 -11.437 1.00 0.00 N ATOM 649 CA SER A 124 1.826 1.072 -11.721 1.00 0.00 C ATOM 650 C SER A 124 1.691 1.399 -13.209 1.00 0.00 C ATOM 651 O SER A 124 2.122 0.650 -14.062 1.00 0.00 O ATOM 652 CB SER A 124 3.307 1.032 -11.343 1.00 0.00 C ATOM 653 OG SER A 124 3.622 2.180 -10.565 1.00 0.00 O ATOM 0 H SER A 124 1.812 -1.058 -11.582 1.00 0.00 H new ATOM 0 HA SER A 124 1.319 1.839 -11.135 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.527 0.125 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.923 1.006 -12.242 1.00 0.00 H new ATOM 0 HG SER A 124 3.021 2.227 -9.792 1.00 0.00 H new ATOM 659 N LEU A 125 1.100 2.518 -13.526 1.00 0.00 N ATOM 660 CA LEU A 125 0.941 2.898 -14.958 1.00 0.00 C ATOM 661 C LEU A 125 2.283 3.398 -15.501 1.00 0.00 C ATOM 662 O LEU A 125 2.432 3.646 -16.682 1.00 0.00 O ATOM 663 CB LEU A 125 -0.103 4.011 -15.076 1.00 0.00 C ATOM 664 CG LEU A 125 -1.504 3.400 -15.063 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.547 4.514 -15.163 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.656 2.454 -16.257 1.00 0.00 C ATOM 0 H LEU A 125 0.720 3.186 -12.855 1.00 0.00 H new ATOM 0 HA LEU A 125 0.615 2.031 -15.533 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.006 4.715 -14.251 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.052 4.573 -15.997 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.651 2.846 -14.136 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.546 4.079 -15.154 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.438 5.191 -14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.401 5.067 -16.091 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.654 2.017 -16.250 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.510 3.010 -17.183 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.912 1.660 -16.189 1.00 0.00 H new ATOM 678 N THR A 126 3.261 3.545 -14.649 1.00 0.00 N ATOM 679 CA THR A 126 4.590 4.024 -15.117 1.00 0.00 C ATOM 680 C THR A 126 5.550 2.837 -15.217 1.00 0.00 C ATOM 681 O THR A 126 6.001 2.480 -16.287 1.00 0.00 O ATOM 682 CB THR A 126 5.141 5.046 -14.118 1.00 0.00 C ATOM 683 OG1 THR A 126 4.318 6.203 -14.124 1.00 0.00 O ATOM 684 CG2 THR A 126 6.568 5.429 -14.512 1.00 0.00 C ATOM 0 H THR A 126 3.196 3.354 -13.649 1.00 0.00 H new ATOM 0 HA THR A 126 4.488 4.492 -16.096 1.00 0.00 H new ATOM 0 HB THR A 126 5.148 4.611 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.668 6.857 -13.484 1.00 0.00 H new ATOM 0 HG21 THR A 126 6.959 6.156 -13.801 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.198 4.540 -14.505 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.565 5.864 -15.511 1.00 0.00 H new ATOM 692 N THR A 127 5.862 2.219 -14.110 1.00 0.00 N ATOM 693 CA THR A 127 6.788 1.053 -14.146 1.00 0.00 C ATOM 694 C THR A 127 6.116 -0.108 -14.880 1.00 0.00 C ATOM 695 O THR A 127 6.771 -0.966 -15.436 1.00 0.00 O ATOM 696 CB THR A 127 7.127 0.622 -12.717 1.00 0.00 C ATOM 697 OG1 THR A 127 5.946 0.632 -11.928 1.00 0.00 O ATOM 698 CG2 THR A 127 8.152 1.587 -12.118 1.00 0.00 C ATOM 0 H THR A 127 5.516 2.471 -13.184 1.00 0.00 H new ATOM 0 HA THR A 127 7.703 1.334 -14.667 1.00 0.00 H new ATOM 0 HB THR A 127 7.546 -0.384 -12.732 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.161 0.355 -11.013 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.392 1.278 -11.101 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.058 1.577 -12.723 1.00 0.00 H new ATOM 0 HG23 THR A 127 7.737 2.595 -12.103 1.00 0.00 H new ATOM 706 N GLY A 128 4.811 -0.144 -14.886 1.00 0.00 N ATOM 707 CA GLY A 128 4.099 -1.251 -15.584 1.00 0.00 C ATOM 708 C GLY A 128 4.168 -2.522 -14.736 1.00 0.00 C ATOM 709 O GLY A 128 3.838 -3.600 -15.189 1.00 0.00 O ATOM 0 H GLY A 128 4.208 0.545 -14.438 1.00 0.00 H new ATOM 0 HA2 GLY A 128 3.059 -0.975 -15.759 1.00 0.00 H new ATOM 0 HA3 GLY A 128 4.550 -1.428 -16.560 1.00 0.00 H new ATOM 713 N GLU A 129 4.594 -2.407 -13.507 1.00 0.00 N ATOM 714 CA GLU A 129 4.681 -3.612 -12.636 1.00 0.00 C ATOM 715 C GLU A 129 3.553 -3.584 -11.602 1.00 0.00 C ATOM 716 O GLU A 129 3.173 -2.541 -11.110 1.00 0.00 O ATOM 717 CB GLU A 129 6.031 -3.626 -11.915 1.00 0.00 C ATOM 718 CG GLU A 129 7.018 -4.494 -12.697 1.00 0.00 C ATOM 719 CD GLU A 129 7.754 -5.426 -11.732 1.00 0.00 C ATOM 720 OE1 GLU A 129 7.106 -5.965 -10.850 1.00 0.00 O ATOM 721 OE2 GLU A 129 8.953 -5.586 -11.893 1.00 0.00 O ATOM 0 H GLU A 129 4.885 -1.532 -13.070 1.00 0.00 H new ATOM 0 HA GLU A 129 4.586 -4.507 -13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.417 -2.611 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.911 -4.014 -10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.488 -5.078 -13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.732 -3.864 -13.227 1.00 0.00 H new ATOM 728 N THR A 130 3.016 -4.726 -11.268 1.00 0.00 N ATOM 729 CA THR A 130 1.916 -4.769 -10.265 1.00 0.00 C ATOM 730 C THR A 130 2.460 -5.310 -8.941 1.00 0.00 C ATOM 731 O THR A 130 3.307 -6.181 -8.919 1.00 0.00 O ATOM 732 CB THR A 130 0.800 -5.687 -10.770 1.00 0.00 C ATOM 733 OG1 THR A 130 0.758 -5.640 -12.190 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.541 -5.223 -10.203 1.00 0.00 C ATOM 0 H THR A 130 3.292 -5.632 -11.647 1.00 0.00 H new ATOM 0 HA THR A 130 1.519 -3.765 -10.115 1.00 0.00 H new ATOM 0 HB THR A 130 0.994 -6.709 -10.445 1.00 0.00 H new ATOM 0 HG1 THR A 130 0.045 -6.228 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.335 -5.878 -10.563 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.508 -5.259 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.739 -4.201 -10.526 1.00 0.00 H new ATOM 742 N GLY A 131 1.985 -4.802 -7.836 1.00 0.00 N ATOM 743 CA GLY A 131 2.486 -5.295 -6.522 1.00 0.00 C ATOM 744 C GLY A 131 1.561 -4.823 -5.398 1.00 0.00 C ATOM 745 O GLY A 131 0.412 -4.493 -5.622 1.00 0.00 O ATOM 0 H GLY A 131 1.276 -4.071 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.537 -6.384 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.498 -4.929 -6.349 1.00 0.00 H new ATOM 749 N TYR A 132 2.053 -4.791 -4.189 1.00 0.00 N ATOM 750 CA TYR A 132 1.206 -4.345 -3.046 1.00 0.00 C ATOM 751 C TYR A 132 1.770 -3.047 -2.461 1.00 0.00 C ATOM 752 O TYR A 132 2.890 -3.005 -1.991 1.00 0.00 O ATOM 753 CB TYR A 132 1.205 -5.419 -1.956 1.00 0.00 C ATOM 754 CG TYR A 132 0.578 -6.690 -2.479 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.667 -6.648 -3.118 1.00 0.00 C ATOM 756 CD2 TYR A 132 1.243 -7.912 -2.319 1.00 0.00 C ATOM 757 CE1 TYR A 132 -1.247 -7.830 -3.595 1.00 0.00 C ATOM 758 CE2 TYR A 132 0.661 -9.093 -2.798 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.584 -9.052 -3.436 1.00 0.00 C ATOM 760 OH TYR A 132 -1.157 -10.215 -3.907 1.00 0.00 O ATOM 0 H TYR A 132 3.007 -5.055 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 132 0.189 -4.178 -3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.226 -5.616 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.654 -5.064 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.179 -5.705 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.204 -7.944 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.208 -7.798 -4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.173 -10.036 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.565 -10.972 -3.716 1.00 0.00 H new ATOM 770 N ILE A 133 1.001 -1.991 -2.470 1.00 0.00 N ATOM 771 CA ILE A 133 1.497 -0.707 -1.896 1.00 0.00 C ATOM 772 C ILE A 133 0.717 -0.394 -0.617 1.00 0.00 C ATOM 773 O ILE A 133 -0.400 -0.843 -0.450 1.00 0.00 O ATOM 774 CB ILE A 133 1.299 0.435 -2.897 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.178 0.523 -3.291 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.149 0.186 -4.143 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.833 1.692 -2.552 1.00 0.00 C ATOM 0 H ILE A 133 0.054 -1.962 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 133 2.560 -0.805 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 133 1.607 1.373 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.271 0.662 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.688 -0.409 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.004 1.002 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.201 0.133 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.849 -0.754 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.885 1.756 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.752 1.534 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -0.329 2.620 -2.821 1.00 0.00 H new ATOM 789 N PRO A 134 1.328 0.373 0.248 1.00 0.00 N ATOM 790 CA PRO A 134 0.706 0.765 1.522 1.00 0.00 C ATOM 791 C PRO A 134 -0.596 1.523 1.250 1.00 0.00 C ATOM 792 O PRO A 134 -0.604 2.546 0.596 1.00 0.00 O ATOM 793 CB PRO A 134 1.739 1.676 2.202 1.00 0.00 C ATOM 794 CG PRO A 134 2.966 1.781 1.259 1.00 0.00 C ATOM 795 CD PRO A 134 2.683 0.911 0.025 1.00 0.00 C ATOM 0 HA PRO A 134 0.451 -0.090 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.315 2.662 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 134 2.033 1.267 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.135 2.817 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.869 1.442 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.730 1.498 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.416 0.110 -0.071 1.00 0.00 H new ATOM 803 N SER A 135 -1.699 1.025 1.741 1.00 0.00 N ATOM 804 CA SER A 135 -2.999 1.713 1.503 1.00 0.00 C ATOM 805 C SER A 135 -2.997 3.071 2.207 1.00 0.00 C ATOM 806 O SER A 135 -3.548 4.037 1.716 1.00 0.00 O ATOM 807 CB SER A 135 -4.137 0.852 2.054 1.00 0.00 C ATOM 808 OG SER A 135 -4.125 0.911 3.475 1.00 0.00 O ATOM 0 H SER A 135 -1.755 0.171 2.297 1.00 0.00 H new ATOM 0 HA SER A 135 -3.141 1.862 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.094 1.206 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.023 -0.179 1.720 1.00 0.00 H new ATOM 0 HG SER A 135 -4.854 0.362 3.831 1.00 0.00 H new ATOM 814 N ASN A 136 -2.379 3.155 3.353 1.00 0.00 N ATOM 815 CA ASN A 136 -2.340 4.451 4.087 1.00 0.00 C ATOM 816 C ASN A 136 -1.373 5.410 3.386 1.00 0.00 C ATOM 817 O ASN A 136 -1.216 6.547 3.785 1.00 0.00 O ATOM 818 CB ASN A 136 -1.863 4.206 5.521 1.00 0.00 C ATOM 819 CG ASN A 136 -3.050 4.324 6.479 1.00 0.00 C ATOM 820 OD1 ASN A 136 -3.843 3.411 6.598 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.204 5.418 7.172 1.00 0.00 N ATOM 0 H ASN A 136 -1.899 2.381 3.813 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.337 4.890 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -1.413 3.217 5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.093 4.929 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -3.991 5.508 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.538 6.184 7.071 1.00 0.00 H new ATOM 828 N TYR A 137 -0.720 4.961 2.350 1.00 0.00 N ATOM 829 CA TYR A 137 0.238 5.849 1.632 1.00 0.00 C ATOM 830 C TYR A 137 -0.382 6.323 0.318 1.00 0.00 C ATOM 831 O TYR A 137 0.296 6.866 -0.532 1.00 0.00 O ATOM 832 CB TYR A 137 1.522 5.072 1.325 1.00 0.00 C ATOM 833 CG TYR A 137 2.465 5.158 2.499 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.959 5.327 3.793 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.847 5.071 2.293 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.836 5.409 4.882 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.724 5.153 3.383 1.00 0.00 C ATOM 838 CZ TYR A 137 4.218 5.323 4.677 1.00 0.00 C ATOM 839 OH TYR A 137 5.081 5.406 5.750 1.00 0.00 O ATOM 0 H TYR A 137 -0.808 4.019 1.970 1.00 0.00 H new ATOM 0 HA TYR A 137 0.466 6.710 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.285 4.029 1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.999 5.478 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.893 5.394 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.237 4.941 1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.446 5.539 5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.790 5.085 3.225 1.00 0.00 H new ATOM 0 HH TYR A 137 6.005 5.327 5.433 1.00 0.00 H new ATOM 849 N VAL A 138 -1.657 6.121 0.133 1.00 0.00 N ATOM 850 CA VAL A 138 -2.297 6.561 -1.139 1.00 0.00 C ATOM 851 C VAL A 138 -3.669 7.173 -0.851 1.00 0.00 C ATOM 852 O VAL A 138 -4.293 6.890 0.152 1.00 0.00 O ATOM 853 CB VAL A 138 -2.463 5.355 -2.065 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.087 4.788 -2.418 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.288 4.280 -1.355 1.00 0.00 C ATOM 0 H VAL A 138 -2.281 5.673 0.804 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.666 7.310 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.973 5.665 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.206 3.929 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.496 5.553 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.577 4.477 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.408 3.419 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.776 3.971 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.269 4.682 -1.102 1.00 0.00 H new ATOM 865 N ALA A 139 -4.143 8.012 -1.732 1.00 0.00 N ATOM 866 CA ALA A 139 -5.475 8.648 -1.526 1.00 0.00 C ATOM 867 C ALA A 139 -6.125 8.907 -2.889 1.00 0.00 C ATOM 868 O ALA A 139 -5.439 9.017 -3.886 1.00 0.00 O ATOM 869 CB ALA A 139 -5.300 9.974 -0.784 1.00 0.00 C ATOM 0 H ALA A 139 -3.662 8.285 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.109 7.986 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.275 10.438 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.833 9.791 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.668 10.639 -1.372 1.00 0.00 H new ATOM 875 N PRO A 140 -7.431 8.998 -2.890 1.00 0.00 N ATOM 876 CA PRO A 140 -8.199 9.243 -4.125 1.00 0.00 C ATOM 877 C PRO A 140 -7.789 10.578 -4.750 1.00 0.00 C ATOM 878 O PRO A 140 -7.395 11.501 -4.064 1.00 0.00 O ATOM 879 CB PRO A 140 -9.665 9.289 -3.674 1.00 0.00 C ATOM 880 CG PRO A 140 -9.694 9.064 -2.141 1.00 0.00 C ATOM 881 CD PRO A 140 -8.243 8.865 -1.669 1.00 0.00 C ATOM 0 HA PRO A 140 -8.025 8.475 -4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.113 10.250 -3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.246 8.521 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.146 9.919 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.299 8.192 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.963 9.610 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.107 7.887 -1.208 1.00 0.00 H new ATOM 889 N VAL A 141 -7.878 10.687 -6.046 1.00 0.00 N ATOM 890 CA VAL A 141 -7.494 11.960 -6.719 1.00 0.00 C ATOM 891 C VAL A 141 -8.448 13.075 -6.285 1.00 0.00 C ATOM 892 O VAL A 141 -9.618 12.989 -6.618 1.00 0.00 O ATOM 893 CB VAL A 141 -7.577 11.775 -8.234 1.00 0.00 C ATOM 894 CG1 VAL A 141 -7.336 13.118 -8.925 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.512 10.773 -8.682 1.00 0.00 C ATOM 896 OXT VAL A 141 -7.992 13.997 -5.629 1.00 0.00 O ATOM 0 H VAL A 141 -8.201 9.948 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.475 12.229 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 141 -8.565 11.401 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.395 12.987 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.093 13.833 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -6.348 13.492 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.569 10.640 -9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -5.524 11.148 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.682 9.816 -8.189 1.00 0.00 H new