USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 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 180:sc= 0 USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 85 THR OG1 : rot 34:sc= 0.48 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -0.561 K(o=-0.56,f=-3.9!) 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= -2.6! K(o=-2.6!,f=-1.5) USER MOD Single : A 113 ASN : amide:sc= -0.313 K(o=-0.31,f=-3.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0767 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 130:sc= 0.172 USER MOD Single : A 130 THR OG1 : rot 180:sc=0.000714 USER MOD Single : A 132 TYR OH : rot -114:sc= 0.0891 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 136 ASN : amide:sc= -0.251 K(o=-0.25,f=-0.77) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -13.326 2.929 -12.015 1.00 0.00 N ATOM 2 CA VAL A 84 -12.576 4.204 -11.833 1.00 0.00 C ATOM 3 C VAL A 84 -12.029 4.275 -10.408 1.00 0.00 C ATOM 4 O VAL A 84 -12.756 4.521 -9.465 1.00 0.00 O ATOM 5 CB VAL A 84 -13.512 5.388 -12.078 1.00 0.00 C ATOM 6 CG1 VAL A 84 -13.732 5.566 -13.580 1.00 0.00 C ATOM 7 CG2 VAL A 84 -14.855 5.122 -11.393 1.00 0.00 C ATOM 0 HA VAL A 84 -11.749 4.242 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.066 6.295 -11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.399 6.410 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.776 5.754 -14.068 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -14.178 4.661 -13.992 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.525 5.964 -11.566 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.299 4.215 -11.803 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -14.698 4.997 -10.322 1.00 0.00 H new ATOM 19 N THR A 85 -10.753 4.064 -10.240 1.00 0.00 N ATOM 20 CA THR A 85 -10.162 4.122 -8.874 1.00 0.00 C ATOM 21 C THR A 85 -8.713 4.599 -8.967 1.00 0.00 C ATOM 22 O THR A 85 -7.785 3.844 -8.757 1.00 0.00 O ATOM 23 CB THR A 85 -10.202 2.730 -8.241 1.00 0.00 C ATOM 24 OG1 THR A 85 -9.476 2.746 -7.019 1.00 0.00 O ATOM 25 CG2 THR A 85 -9.576 1.714 -9.196 1.00 0.00 C ATOM 0 H THR A 85 -10.094 3.854 -10.990 1.00 0.00 H new ATOM 0 HA THR A 85 -10.735 4.816 -8.259 1.00 0.00 H new ATOM 0 HB THR A 85 -11.237 2.449 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.576 3.622 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.605 0.723 -8.743 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.135 1.702 -10.132 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.541 1.991 -9.395 1.00 0.00 H new ATOM 33 N LEU A 86 -8.510 5.850 -9.280 1.00 0.00 N ATOM 34 CA LEU A 86 -7.122 6.377 -9.386 1.00 0.00 C ATOM 35 C LEU A 86 -6.648 6.843 -8.007 1.00 0.00 C ATOM 36 O LEU A 86 -7.312 7.613 -7.341 1.00 0.00 O ATOM 37 CB LEU A 86 -7.098 7.554 -10.364 1.00 0.00 C ATOM 38 CG LEU A 86 -6.051 7.296 -11.449 1.00 0.00 C ATOM 39 CD1 LEU A 86 -4.741 6.846 -10.799 1.00 0.00 C ATOM 40 CD2 LEU A 86 -6.554 6.200 -12.393 1.00 0.00 C ATOM 0 H LEU A 86 -9.247 6.530 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.459 5.592 -9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.081 7.685 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.866 8.477 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.880 8.213 -12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.995 6.662 -11.573 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.382 7.625 -10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.911 5.929 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.808 6.016 -13.166 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.725 5.284 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.487 6.520 -12.857 1.00 0.00 H new ATOM 52 N PHE A 87 -5.507 6.382 -7.571 1.00 0.00 N ATOM 53 CA PHE A 87 -4.998 6.798 -6.233 1.00 0.00 C ATOM 54 C PHE A 87 -3.512 7.153 -6.335 1.00 0.00 C ATOM 55 O PHE A 87 -2.702 6.360 -6.771 1.00 0.00 O ATOM 56 CB PHE A 87 -5.177 5.650 -5.238 1.00 0.00 C ATOM 57 CG PHE A 87 -6.639 5.510 -4.889 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.391 6.644 -4.565 1.00 0.00 C ATOM 59 CD2 PHE A 87 -7.241 4.247 -4.889 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.747 6.516 -4.240 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.597 4.118 -4.566 1.00 0.00 C ATOM 62 CZ PHE A 87 -9.350 5.252 -4.241 1.00 0.00 C ATOM 0 H PHE A 87 -4.906 5.736 -8.083 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.557 7.669 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.804 4.720 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.594 5.841 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.926 7.619 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.660 3.372 -5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.327 7.391 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.062 3.143 -4.568 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.396 5.152 -3.991 1.00 0.00 H new ATOM 72 N VAL A 88 -3.150 8.340 -5.932 1.00 0.00 N ATOM 73 CA VAL A 88 -1.719 8.751 -5.999 1.00 0.00 C ATOM 74 C VAL A 88 -1.035 8.445 -4.665 1.00 0.00 C ATOM 75 O VAL A 88 -1.678 8.323 -3.641 1.00 0.00 O ATOM 76 CB VAL A 88 -1.638 10.253 -6.272 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.307 10.581 -6.950 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.792 10.667 -7.189 1.00 0.00 C ATOM 0 H VAL A 88 -3.785 9.045 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.221 8.202 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.707 10.796 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.252 11.652 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.516 10.287 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.235 10.038 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.735 11.738 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.722 10.122 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.741 10.436 -6.706 1.00 0.00 H new ATOM 88 N ALA A 89 0.264 8.325 -4.667 1.00 0.00 N ATOM 89 CA ALA A 89 0.985 8.034 -3.396 1.00 0.00 C ATOM 90 C ALA A 89 1.231 9.347 -2.649 1.00 0.00 C ATOM 91 O ALA A 89 1.939 10.217 -3.119 1.00 0.00 O ATOM 92 CB ALA A 89 2.325 7.363 -3.707 1.00 0.00 C ATOM 0 H ALA A 89 0.856 8.416 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 89 0.385 7.366 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.851 7.151 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.149 6.431 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.931 8.028 -4.322 1.00 0.00 H new ATOM 98 N LEU A 90 0.647 9.501 -1.494 1.00 0.00 N ATOM 99 CA LEU A 90 0.841 10.763 -0.724 1.00 0.00 C ATOM 100 C LEU A 90 2.254 10.807 -0.137 1.00 0.00 C ATOM 101 O LEU A 90 2.699 11.827 0.349 1.00 0.00 O ATOM 102 CB LEU A 90 -0.183 10.828 0.412 1.00 0.00 C ATOM 103 CG LEU A 90 -1.573 10.494 -0.131 1.00 0.00 C ATOM 104 CD1 LEU A 90 -2.282 9.541 0.834 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.390 11.782 -0.267 1.00 0.00 C ATOM 0 H LEU A 90 0.044 8.809 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 90 0.705 11.613 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.089 10.126 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.185 11.823 0.857 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.477 10.019 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.273 9.303 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.701 8.624 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.378 10.017 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.381 11.545 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.486 12.257 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.886 12.462 -0.953 1.00 0.00 H new ATOM 117 N TYR A 91 2.966 9.713 -0.172 1.00 0.00 N ATOM 118 CA TYR A 91 4.346 9.713 0.392 1.00 0.00 C ATOM 119 C TYR A 91 5.220 8.714 -0.368 1.00 0.00 C ATOM 120 O TYR A 91 4.732 7.870 -1.093 1.00 0.00 O ATOM 121 CB TYR A 91 4.291 9.321 1.870 1.00 0.00 C ATOM 122 CG TYR A 91 3.303 10.209 2.588 1.00 0.00 C ATOM 123 CD1 TYR A 91 1.949 9.854 2.635 1.00 0.00 C ATOM 124 CD2 TYR A 91 3.739 11.387 3.206 1.00 0.00 C ATOM 125 CE1 TYR A 91 1.033 10.678 3.299 1.00 0.00 C ATOM 126 CE2 TYR A 91 2.823 12.210 3.870 1.00 0.00 C ATOM 127 CZ TYR A 91 1.469 11.856 3.917 1.00 0.00 C ATOM 128 OH TYR A 91 0.566 12.668 4.571 1.00 0.00 O ATOM 0 H TYR A 91 2.654 8.825 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 91 4.774 10.710 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.997 8.276 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.279 9.419 2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.612 8.945 2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.783 11.661 3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.011 10.405 3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.160 13.119 4.346 1.00 0.00 H new ATOM 0 HH TYR A 91 1.034 13.443 4.945 1.00 0.00 H new ATOM 138 N ASP A 92 6.513 8.803 -0.203 1.00 0.00 N ATOM 139 CA ASP A 92 7.424 7.859 -0.910 1.00 0.00 C ATOM 140 C ASP A 92 7.558 6.576 -0.086 1.00 0.00 C ATOM 141 O ASP A 92 7.354 6.574 1.111 1.00 0.00 O ATOM 142 CB ASP A 92 8.812 8.495 -1.082 1.00 0.00 C ATOM 143 CG ASP A 92 8.697 10.022 -1.077 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.619 10.588 0.001 1.00 0.00 O ATOM 145 OD2 ASP A 92 8.697 10.600 -2.151 1.00 0.00 O ATOM 0 H ASP A 92 6.977 9.490 0.392 1.00 0.00 H new ATOM 0 HA ASP A 92 7.010 7.631 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.472 8.170 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.261 8.160 -2.017 1.00 0.00 H new ATOM 150 N TYR A 93 7.900 5.487 -0.716 1.00 0.00 N ATOM 151 CA TYR A 93 8.046 4.208 0.033 1.00 0.00 C ATOM 152 C TYR A 93 9.108 3.338 -0.642 1.00 0.00 C ATOM 153 O TYR A 93 9.332 3.428 -1.833 1.00 0.00 O ATOM 154 CB TYR A 93 6.707 3.467 0.041 1.00 0.00 C ATOM 155 CG TYR A 93 6.783 2.303 0.997 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.662 2.519 2.375 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.975 1.006 0.507 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.733 1.439 3.262 1.00 0.00 C ATOM 159 CE2 TYR A 93 7.046 -0.075 1.394 1.00 0.00 C ATOM 160 CZ TYR A 93 6.925 0.142 2.772 1.00 0.00 C ATOM 161 OH TYR A 93 6.994 -0.923 3.646 1.00 0.00 O ATOM 0 H TYR A 93 8.085 5.427 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 93 8.350 4.420 1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.906 4.144 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.469 3.113 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.514 3.520 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.068 0.839 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.640 1.606 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.194 -1.076 1.016 1.00 0.00 H new ATOM 0 HH TYR A 93 7.129 -1.752 3.141 1.00 0.00 H new ATOM 171 N GLU A 94 9.765 2.499 0.110 1.00 0.00 N ATOM 172 CA GLU A 94 10.815 1.625 -0.488 1.00 0.00 C ATOM 173 C GLU A 94 10.373 0.163 -0.404 1.00 0.00 C ATOM 174 O GLU A 94 10.254 -0.399 0.667 1.00 0.00 O ATOM 175 CB GLU A 94 12.126 1.806 0.280 1.00 0.00 C ATOM 176 CG GLU A 94 11.847 1.747 1.783 1.00 0.00 C ATOM 177 CD GLU A 94 13.161 1.891 2.554 1.00 0.00 C ATOM 178 OE1 GLU A 94 13.969 0.979 2.482 1.00 0.00 O ATOM 179 OE2 GLU A 94 13.337 2.908 3.202 1.00 0.00 O ATOM 0 H GLU A 94 9.621 2.380 1.113 1.00 0.00 H new ATOM 0 HA GLU A 94 10.964 1.899 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.835 1.027 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.583 2.761 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.158 2.542 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.366 0.803 2.037 1.00 0.00 H new ATOM 186 N ALA A 95 10.129 -0.459 -1.525 1.00 0.00 N ATOM 187 CA ALA A 95 9.696 -1.884 -1.510 1.00 0.00 C ATOM 188 C ALA A 95 10.782 -2.742 -0.859 1.00 0.00 C ATOM 189 O ALA A 95 11.850 -2.928 -1.407 1.00 0.00 O ATOM 190 CB ALA A 95 9.462 -2.361 -2.944 1.00 0.00 C ATOM 0 H ALA A 95 10.211 -0.041 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 95 8.771 -1.975 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.145 -3.404 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.687 -1.751 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.387 -2.269 -3.514 1.00 0.00 H new ATOM 196 N ARG A 96 10.518 -3.268 0.306 1.00 0.00 N ATOM 197 CA ARG A 96 11.538 -4.115 0.987 1.00 0.00 C ATOM 198 C ARG A 96 11.400 -5.561 0.508 1.00 0.00 C ATOM 199 O ARG A 96 12.300 -6.364 0.658 1.00 0.00 O ATOM 200 CB ARG A 96 11.325 -4.052 2.499 1.00 0.00 C ATOM 201 CG ARG A 96 12.683 -4.007 3.203 1.00 0.00 C ATOM 202 CD ARG A 96 12.474 -3.756 4.697 1.00 0.00 C ATOM 203 NE ARG A 96 12.078 -2.335 4.911 1.00 0.00 N ATOM 204 CZ ARG A 96 12.183 -1.801 6.096 1.00 0.00 C ATOM 205 NH1 ARG A 96 11.220 -1.945 6.965 1.00 0.00 N ATOM 206 NH2 ARG A 96 13.253 -1.122 6.414 1.00 0.00 N ATOM 0 H ARG A 96 9.642 -3.148 0.815 1.00 0.00 H new ATOM 0 HA ARG A 96 12.536 -3.748 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.739 -3.170 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.758 -4.921 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.214 -4.947 3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.301 -3.219 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.703 -4.422 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.390 -3.976 5.245 1.00 0.00 H new ATOM 0 HE ARG A 96 11.725 -1.781 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.385 -2.475 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.303 -1.527 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.006 -1.010 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.335 -0.704 7.341 1.00 0.00 H new ATOM 220 N THR A 97 10.280 -5.901 -0.068 1.00 0.00 N ATOM 221 CA THR A 97 10.084 -7.294 -0.558 1.00 0.00 C ATOM 222 C THR A 97 9.495 -7.260 -1.971 1.00 0.00 C ATOM 223 O THR A 97 8.963 -6.258 -2.407 1.00 0.00 O ATOM 224 CB THR A 97 9.129 -8.038 0.378 1.00 0.00 C ATOM 225 OG1 THR A 97 8.643 -9.204 -0.272 1.00 0.00 O ATOM 226 CG2 THR A 97 7.954 -7.127 0.740 1.00 0.00 C ATOM 0 H THR A 97 9.491 -5.273 -0.221 1.00 0.00 H new ATOM 0 HA THR A 97 11.044 -7.810 -0.578 1.00 0.00 H new ATOM 0 HB THR A 97 9.659 -8.323 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.033 -9.682 0.327 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.274 -7.658 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.327 -6.233 1.239 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.422 -6.841 -0.168 1.00 0.00 H new ATOM 234 N GLU A 98 9.589 -8.344 -2.690 1.00 0.00 N ATOM 235 CA GLU A 98 9.039 -8.372 -4.075 1.00 0.00 C ATOM 236 C GLU A 98 7.520 -8.188 -4.030 1.00 0.00 C ATOM 237 O GLU A 98 6.885 -7.936 -5.035 1.00 0.00 O ATOM 238 CB GLU A 98 9.368 -9.717 -4.727 1.00 0.00 C ATOM 239 CG GLU A 98 10.864 -9.780 -5.043 1.00 0.00 C ATOM 240 CD GLU A 98 11.503 -10.934 -4.268 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.260 -12.073 -4.632 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.228 -10.660 -3.326 1.00 0.00 O ATOM 0 H GLU A 98 10.023 -9.213 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 98 9.485 -7.565 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.092 -10.534 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.787 -9.842 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.014 -9.920 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.343 -8.838 -4.774 1.00 0.00 H new ATOM 249 N ASP A 99 6.931 -8.315 -2.872 1.00 0.00 N ATOM 250 CA ASP A 99 5.453 -8.153 -2.766 1.00 0.00 C ATOM 251 C ASP A 99 5.092 -6.665 -2.740 1.00 0.00 C ATOM 252 O ASP A 99 4.134 -6.240 -3.355 1.00 0.00 O ATOM 253 CB ASP A 99 4.960 -8.816 -1.477 1.00 0.00 C ATOM 254 CG ASP A 99 3.655 -9.563 -1.753 1.00 0.00 C ATOM 255 OD1 ASP A 99 2.617 -8.922 -1.751 1.00 0.00 O ATOM 256 OD2 ASP A 99 3.714 -10.764 -1.962 1.00 0.00 O ATOM 0 H ASP A 99 7.409 -8.524 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 99 4.979 -8.623 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.714 -9.507 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.804 -8.063 -0.705 1.00 0.00 H new ATOM 261 N ASP A 100 5.845 -5.868 -2.030 1.00 0.00 N ATOM 262 CA ASP A 100 5.530 -4.412 -1.969 1.00 0.00 C ATOM 263 C ASP A 100 6.175 -3.690 -3.155 1.00 0.00 C ATOM 264 O ASP A 100 7.049 -4.215 -3.815 1.00 0.00 O ATOM 265 CB ASP A 100 6.071 -3.825 -0.664 1.00 0.00 C ATOM 266 CG ASP A 100 5.637 -2.364 -0.549 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.519 -2.131 -0.121 1.00 0.00 O ATOM 268 OD2 ASP A 100 6.428 -1.503 -0.897 1.00 0.00 O ATOM 0 H ASP A 100 6.661 -6.161 -1.492 1.00 0.00 H new ATOM 0 HA ASP A 100 4.449 -4.279 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.698 -4.395 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.158 -3.896 -0.643 1.00 0.00 H new ATOM 273 N LEU A 101 5.746 -2.487 -3.429 1.00 0.00 N ATOM 274 CA LEU A 101 6.330 -1.727 -4.570 1.00 0.00 C ATOM 275 C LEU A 101 7.087 -0.507 -4.040 1.00 0.00 C ATOM 276 O LEU A 101 6.985 -0.155 -2.882 1.00 0.00 O ATOM 277 CB LEU A 101 5.208 -1.259 -5.500 1.00 0.00 C ATOM 278 CG LEU A 101 4.408 -2.468 -5.986 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.920 -2.114 -6.023 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.875 -2.855 -7.390 1.00 0.00 C ATOM 0 H LEU A 101 5.016 -1.998 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 101 7.016 -2.372 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.553 -0.564 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.627 -0.722 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 101 4.565 -3.305 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.349 -2.976 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.587 -1.837 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.762 -1.277 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.306 -3.717 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.717 -2.017 -8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.935 -3.107 -7.364 1.00 0.00 H new ATOM 292 N SER A 102 7.842 0.145 -4.882 1.00 0.00 N ATOM 293 CA SER A 102 8.602 1.345 -4.431 1.00 0.00 C ATOM 294 C SER A 102 8.228 2.538 -5.312 1.00 0.00 C ATOM 295 O SER A 102 7.892 2.384 -6.470 1.00 0.00 O ATOM 296 CB SER A 102 10.102 1.074 -4.551 1.00 0.00 C ATOM 297 OG SER A 102 10.558 1.505 -5.827 1.00 0.00 O ATOM 0 H SER A 102 7.965 -0.102 -5.864 1.00 0.00 H new ATOM 0 HA SER A 102 8.356 1.565 -3.392 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.642 1.599 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.302 0.011 -4.421 1.00 0.00 H new ATOM 0 HG SER A 102 11.520 1.334 -5.906 1.00 0.00 H new ATOM 303 N PHE A 103 8.281 3.727 -4.778 1.00 0.00 N ATOM 304 CA PHE A 103 7.924 4.921 -5.594 1.00 0.00 C ATOM 305 C PHE A 103 8.091 6.191 -4.757 1.00 0.00 C ATOM 306 O PHE A 103 8.523 6.148 -3.623 1.00 0.00 O ATOM 307 CB PHE A 103 6.467 4.807 -6.049 1.00 0.00 C ATOM 308 CG PHE A 103 5.598 4.424 -4.873 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.117 5.411 -4.006 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.272 3.079 -4.653 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.310 5.056 -2.917 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.465 2.724 -3.565 1.00 0.00 C ATOM 313 CZ PHE A 103 3.984 3.712 -2.697 1.00 0.00 C ATOM 0 H PHE A 103 8.555 3.923 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 103 8.581 4.971 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.131 5.755 -6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.379 4.060 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.368 6.448 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.643 2.317 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.940 5.818 -2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.213 1.688 -3.395 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.362 3.438 -1.858 1.00 0.00 H new ATOM 323 N HIS A 104 7.745 7.319 -5.310 1.00 0.00 N ATOM 324 CA HIS A 104 7.873 8.595 -4.554 1.00 0.00 C ATOM 325 C HIS A 104 6.549 9.354 -4.632 1.00 0.00 C ATOM 326 O HIS A 104 5.847 9.292 -5.623 1.00 0.00 O ATOM 327 CB HIS A 104 8.988 9.447 -5.167 1.00 0.00 C ATOM 328 CG HIS A 104 8.641 9.780 -6.592 1.00 0.00 C ATOM 329 ND1 HIS A 104 7.739 10.781 -6.919 1.00 0.00 N ATOM 330 CD2 HIS A 104 9.070 9.257 -7.788 1.00 0.00 C ATOM 331 CE1 HIS A 104 7.656 10.829 -8.261 1.00 0.00 C ATOM 332 NE2 HIS A 104 8.446 9.921 -8.839 1.00 0.00 N ATOM 0 H HIS A 104 7.378 7.412 -6.257 1.00 0.00 H new ATOM 0 HA HIS A 104 8.116 8.382 -3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.119 10.363 -4.590 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.935 8.908 -5.129 1.00 0.00 H new ATOM 0 HD1 HIS A 104 7.231 11.373 -6.262 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.783 8.453 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.027 11.518 -8.805 1.00 0.00 H new ATOM 340 N LYS A 105 6.197 10.067 -3.597 1.00 0.00 N ATOM 341 CA LYS A 105 4.915 10.826 -3.613 1.00 0.00 C ATOM 342 C LYS A 105 4.737 11.501 -4.975 1.00 0.00 C ATOM 343 O LYS A 105 5.568 12.273 -5.410 1.00 0.00 O ATOM 344 CB LYS A 105 4.938 11.890 -2.515 1.00 0.00 C ATOM 345 CG LYS A 105 3.672 12.742 -2.605 1.00 0.00 C ATOM 346 CD LYS A 105 3.612 13.697 -1.413 1.00 0.00 C ATOM 347 CE LYS A 105 3.722 15.139 -1.910 1.00 0.00 C ATOM 348 NZ LYS A 105 4.817 15.835 -1.178 1.00 0.00 N ATOM 0 H LYS A 105 6.743 10.157 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 105 4.086 10.141 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.001 11.416 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.821 12.520 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.667 13.307 -3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.790 12.101 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.678 13.559 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.422 13.478 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.921 15.151 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.778 15.661 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.892 16.816 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.608 15.835 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.716 15.341 -1.347 1.00 0.00 H new ATOM 362 N GLY A 106 3.662 11.208 -5.653 1.00 0.00 N ATOM 363 CA GLY A 106 3.429 11.826 -6.989 1.00 0.00 C ATOM 364 C GLY A 106 3.200 10.721 -8.022 1.00 0.00 C ATOM 365 O GLY A 106 2.702 10.963 -9.105 1.00 0.00 O ATOM 0 H GLY A 106 2.934 10.566 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.565 12.489 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.286 12.436 -7.275 1.00 0.00 H new ATOM 369 N GLU A 107 3.556 9.509 -7.695 1.00 0.00 N ATOM 370 CA GLU A 107 3.359 8.387 -8.656 1.00 0.00 C ATOM 371 C GLU A 107 1.890 7.957 -8.642 1.00 0.00 C ATOM 372 O GLU A 107 1.212 8.058 -7.638 1.00 0.00 O ATOM 373 CB GLU A 107 4.238 7.203 -8.244 1.00 0.00 C ATOM 374 CG GLU A 107 5.590 7.297 -8.954 1.00 0.00 C ATOM 375 CD GLU A 107 5.836 6.018 -9.757 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.893 5.528 -10.357 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.963 5.551 -9.761 1.00 0.00 O ATOM 0 H GLU A 107 3.975 9.247 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 107 3.634 8.714 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.382 7.203 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.746 6.265 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.606 8.163 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.387 7.439 -8.224 1.00 0.00 H new ATOM 384 N LYS A 108 1.392 7.478 -9.749 1.00 0.00 N ATOM 385 CA LYS A 108 -0.033 7.043 -9.800 1.00 0.00 C ATOM 386 C LYS A 108 -0.115 5.534 -9.556 1.00 0.00 C ATOM 387 O LYS A 108 0.805 4.796 -9.852 1.00 0.00 O ATOM 388 CB LYS A 108 -0.617 7.368 -11.176 1.00 0.00 C ATOM 389 CG LYS A 108 -0.077 8.717 -11.655 1.00 0.00 C ATOM 390 CD LYS A 108 -0.370 9.788 -10.603 1.00 0.00 C ATOM 391 CE LYS A 108 0.068 11.156 -11.131 1.00 0.00 C ATOM 392 NZ LYS A 108 -1.134 11.944 -11.526 1.00 0.00 N ATOM 0 H LYS A 108 1.910 7.369 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.600 7.568 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.354 6.586 -11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.705 7.398 -11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.997 8.649 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.539 8.989 -12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.434 9.801 -10.368 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.158 9.558 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.631 11.690 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.732 11.032 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.837 12.874 -11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.653 11.436 -12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.751 12.073 -10.699 1.00 0.00 H new ATOM 406 N PHE A 109 -1.210 5.069 -9.019 1.00 0.00 N ATOM 407 CA PHE A 109 -1.352 3.609 -8.758 1.00 0.00 C ATOM 408 C PHE A 109 -2.810 3.194 -8.966 1.00 0.00 C ATOM 409 O PHE A 109 -3.724 3.886 -8.563 1.00 0.00 O ATOM 410 CB PHE A 109 -0.941 3.304 -7.317 1.00 0.00 C ATOM 411 CG PHE A 109 0.554 3.453 -7.176 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.121 4.726 -7.054 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.373 2.317 -7.161 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.507 4.866 -6.920 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.760 2.456 -7.027 1.00 0.00 C ATOM 416 CZ PHE A 109 3.326 3.730 -6.907 1.00 0.00 C ATOM 0 H PHE A 109 -2.013 5.638 -8.750 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.712 3.055 -9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.451 3.981 -6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.243 2.292 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.489 5.601 -7.063 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.935 1.334 -7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.945 5.849 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.392 1.581 -7.016 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.396 3.837 -6.804 1.00 0.00 H new ATOM 426 N GLN A 110 -3.036 2.071 -9.590 1.00 0.00 N ATOM 427 CA GLN A 110 -4.438 1.619 -9.820 1.00 0.00 C ATOM 428 C GLN A 110 -4.796 0.526 -8.810 1.00 0.00 C ATOM 429 O GLN A 110 -4.490 -0.634 -9.002 1.00 0.00 O ATOM 430 CB GLN A 110 -4.565 1.067 -11.241 1.00 0.00 C ATOM 431 CG GLN A 110 -3.942 2.057 -12.228 1.00 0.00 C ATOM 432 CD GLN A 110 -4.477 1.781 -13.634 1.00 0.00 C ATOM 433 OE1 GLN A 110 -5.552 2.222 -13.985 1.00 0.00 O ATOM 434 NE2 GLN A 110 -3.766 1.063 -14.460 1.00 0.00 N ATOM 0 H GLN A 110 -2.313 1.448 -9.950 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.118 2.461 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.066 0.101 -11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.614 0.903 -11.487 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.178 3.079 -11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.856 1.964 -12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.863 0.692 -14.166 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.114 0.873 -15.400 1.00 0.00 H new ATOM 443 N ILE A 111 -5.442 0.888 -7.734 1.00 0.00 N ATOM 444 CA ILE A 111 -5.817 -0.133 -6.715 1.00 0.00 C ATOM 445 C ILE A 111 -6.880 -1.069 -7.294 1.00 0.00 C ATOM 446 O ILE A 111 -7.943 -0.643 -7.699 1.00 0.00 O ATOM 447 CB ILE A 111 -6.377 0.561 -5.471 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.310 1.481 -4.873 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.773 -0.493 -4.435 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.136 0.642 -4.362 1.00 0.00 C ATOM 0 H ILE A 111 -5.725 1.844 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.933 -0.709 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.252 1.150 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.963 2.190 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.735 2.065 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.172 0.000 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.533 -1.151 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.897 -1.080 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.377 1.299 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.489 -0.049 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.705 0.078 -5.189 1.00 0.00 H new ATOM 462 N LEU A 112 -6.599 -2.342 -7.336 1.00 0.00 N ATOM 463 CA LEU A 112 -7.587 -3.310 -7.889 1.00 0.00 C ATOM 464 C LEU A 112 -8.091 -4.216 -6.764 1.00 0.00 C ATOM 465 O LEU A 112 -9.234 -4.628 -6.749 1.00 0.00 O ATOM 466 CB LEU A 112 -6.920 -4.168 -8.968 1.00 0.00 C ATOM 467 CG LEU A 112 -5.815 -3.364 -9.656 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.983 -4.294 -10.540 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.445 -2.268 -10.519 1.00 0.00 C ATOM 0 H LEU A 112 -5.725 -2.755 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.423 -2.764 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.502 -5.071 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.660 -4.488 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.173 -2.909 -8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.196 -3.722 -11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.535 -5.075 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.625 -4.749 -11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.659 -1.694 -11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.087 -2.723 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.038 -1.605 -9.889 1.00 0.00 H new ATOM 481 N ASN A 113 -7.245 -4.527 -5.821 1.00 0.00 N ATOM 482 CA ASN A 113 -7.671 -5.407 -4.697 1.00 0.00 C ATOM 483 C ASN A 113 -7.288 -4.758 -3.365 1.00 0.00 C ATOM 484 O ASN A 113 -6.251 -5.043 -2.800 1.00 0.00 O ATOM 485 CB ASN A 113 -6.979 -6.766 -4.819 1.00 0.00 C ATOM 486 CG ASN A 113 -7.929 -7.867 -4.342 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.060 -7.597 -3.989 1.00 0.00 O ATOM 488 ND2 ASN A 113 -7.516 -9.104 -4.317 1.00 0.00 N ATOM 0 H ASN A 113 -6.277 -4.209 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.751 -5.545 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.687 -6.946 -5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.066 -6.776 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -8.142 -9.845 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -6.567 -9.331 -4.613 1.00 0.00 H new ATOM 495 N SER A 114 -8.118 -3.889 -2.860 1.00 0.00 N ATOM 496 CA SER A 114 -7.804 -3.224 -1.564 1.00 0.00 C ATOM 497 C SER A 114 -8.460 -3.999 -0.419 1.00 0.00 C ATOM 498 O SER A 114 -8.360 -3.626 0.733 1.00 0.00 O ATOM 499 CB SER A 114 -8.342 -1.793 -1.584 1.00 0.00 C ATOM 500 OG SER A 114 -9.367 -1.691 -2.565 1.00 0.00 O ATOM 0 H SER A 114 -9.001 -3.610 -3.288 1.00 0.00 H new ATOM 0 HA SER A 114 -6.724 -3.206 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.734 -1.526 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.537 -1.093 -1.808 1.00 0.00 H new ATOM 0 HG SER A 114 -9.716 -0.775 -2.580 1.00 0.00 H new ATOM 506 N SER A 115 -9.132 -5.076 -0.728 1.00 0.00 N ATOM 507 CA SER A 115 -9.793 -5.872 0.343 1.00 0.00 C ATOM 508 C SER A 115 -8.827 -6.058 1.513 1.00 0.00 C ATOM 509 O SER A 115 -9.232 -6.183 2.652 1.00 0.00 O ATOM 510 CB SER A 115 -10.188 -7.241 -0.213 1.00 0.00 C ATOM 511 OG SER A 115 -11.417 -7.126 -0.918 1.00 0.00 O ATOM 0 H SER A 115 -9.251 -5.437 -1.674 1.00 0.00 H new ATOM 0 HA SER A 115 -10.683 -5.347 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.409 -7.615 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.288 -7.961 0.599 1.00 0.00 H new ATOM 0 HG SER A 115 -11.671 -8.002 -1.277 1.00 0.00 H new ATOM 517 N GLU A 116 -7.551 -6.079 1.242 1.00 0.00 N ATOM 518 CA GLU A 116 -6.559 -6.257 2.339 1.00 0.00 C ATOM 519 C GLU A 116 -6.806 -5.211 3.427 1.00 0.00 C ATOM 520 O GLU A 116 -7.368 -4.164 3.179 1.00 0.00 O ATOM 521 CB GLU A 116 -5.145 -6.085 1.780 1.00 0.00 C ATOM 522 CG GLU A 116 -4.613 -7.440 1.313 1.00 0.00 C ATOM 523 CD GLU A 116 -3.805 -8.088 2.440 1.00 0.00 C ATOM 524 OE1 GLU A 116 -4.404 -8.453 3.437 1.00 0.00 O ATOM 525 OE2 GLU A 116 -2.601 -8.207 2.286 1.00 0.00 O ATOM 0 H GLU A 116 -7.153 -5.981 0.308 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.664 -7.255 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.154 -5.380 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.489 -5.668 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.441 -8.088 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.987 -7.312 0.430 1.00 0.00 H new ATOM 532 N GLY A 117 -6.392 -5.488 4.634 1.00 0.00 N ATOM 533 CA GLY A 117 -6.604 -4.508 5.736 1.00 0.00 C ATOM 534 C GLY A 117 -5.285 -3.804 6.056 1.00 0.00 C ATOM 535 O GLY A 117 -5.050 -3.379 7.170 1.00 0.00 O ATOM 0 H GLY A 117 -5.917 -6.349 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -7.358 -3.776 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.980 -5.018 6.623 1.00 0.00 H new ATOM 539 N ASP A 118 -4.418 -3.677 5.087 1.00 0.00 N ATOM 540 CA ASP A 118 -3.115 -3.000 5.340 1.00 0.00 C ATOM 541 C ASP A 118 -2.319 -2.909 4.034 1.00 0.00 C ATOM 542 O ASP A 118 -1.883 -1.847 3.636 1.00 0.00 O ATOM 543 CB ASP A 118 -2.318 -3.803 6.371 1.00 0.00 C ATOM 544 CG ASP A 118 -2.446 -3.139 7.744 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.857 -1.991 7.789 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.131 -3.789 8.727 1.00 0.00 O ATOM 0 H ASP A 118 -4.556 -4.012 4.134 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.296 -1.995 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.688 -4.827 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.270 -3.855 6.076 1.00 0.00 H new ATOM 551 N TRP A 119 -2.124 -4.013 3.365 1.00 0.00 N ATOM 552 CA TRP A 119 -1.355 -3.981 2.088 1.00 0.00 C ATOM 553 C TRP A 119 -2.323 -4.034 0.904 1.00 0.00 C ATOM 554 O TRP A 119 -2.954 -5.041 0.649 1.00 0.00 O ATOM 555 CB TRP A 119 -0.412 -5.185 2.028 1.00 0.00 C ATOM 556 CG TRP A 119 0.684 -5.009 3.030 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.824 -5.735 4.162 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.791 -4.062 3.011 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.946 -5.294 4.840 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.576 -4.263 4.171 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.186 -3.056 2.109 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.712 -3.495 4.427 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.330 -2.281 2.365 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.091 -2.500 3.522 1.00 0.00 C ATOM 0 H TRP A 119 -2.463 -4.933 3.646 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.774 -3.060 2.040 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.963 -6.103 2.233 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.008 -5.282 1.027 1.00 0.00 H new ATOM 0 HD1 TRP A 119 0.167 -6.529 4.484 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.269 -5.683 5.726 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.606 -2.879 1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.295 -3.668 5.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.625 -1.512 1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.969 -1.901 3.713 1.00 0.00 H new ATOM 575 N TRP A 120 -2.443 -2.957 0.177 1.00 0.00 N ATOM 576 CA TRP A 120 -3.367 -2.943 -0.991 1.00 0.00 C ATOM 577 C TRP A 120 -2.602 -3.348 -2.253 1.00 0.00 C ATOM 578 O TRP A 120 -1.410 -3.138 -2.363 1.00 0.00 O ATOM 579 CB TRP A 120 -3.935 -1.534 -1.180 1.00 0.00 C ATOM 580 CG TRP A 120 -5.119 -1.341 -0.287 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.542 -2.225 0.646 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.036 -0.210 -0.226 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.660 -1.708 1.276 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.004 -0.468 0.773 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.121 1.002 -0.934 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -8.021 0.444 1.060 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.143 1.923 -0.648 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.090 1.643 0.346 1.00 0.00 C ATOM 0 H TRP A 120 -1.940 -2.085 0.342 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.181 -3.645 -0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.171 -0.791 -0.952 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.224 -1.385 -2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.082 -3.178 0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.168 -2.184 2.021 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.396 1.226 -1.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.748 0.225 1.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.199 2.851 -1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.874 2.354 0.560 1.00 0.00 H new ATOM 599 N GLU A 121 -3.280 -3.918 -3.209 1.00 0.00 N ATOM 600 CA GLU A 121 -2.601 -4.326 -4.469 1.00 0.00 C ATOM 601 C GLU A 121 -2.950 -3.305 -5.559 1.00 0.00 C ATOM 602 O GLU A 121 -4.099 -2.972 -5.759 1.00 0.00 O ATOM 603 CB GLU A 121 -3.071 -5.748 -4.852 1.00 0.00 C ATOM 604 CG GLU A 121 -3.572 -5.803 -6.303 1.00 0.00 C ATOM 605 CD GLU A 121 -3.776 -7.261 -6.719 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.600 -8.127 -5.876 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.104 -7.488 -7.871 1.00 0.00 O ATOM 0 H GLU A 121 -4.279 -4.120 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.518 -4.348 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.248 -6.451 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -3.868 -6.063 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -4.508 -5.253 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.852 -5.322 -6.966 1.00 0.00 H new ATOM 614 N ALA A 122 -1.971 -2.801 -6.259 1.00 0.00 N ATOM 615 CA ALA A 122 -2.263 -1.801 -7.323 1.00 0.00 C ATOM 616 C ALA A 122 -1.236 -1.924 -8.450 1.00 0.00 C ATOM 617 O ALA A 122 -0.106 -2.318 -8.236 1.00 0.00 O ATOM 618 CB ALA A 122 -2.199 -0.392 -6.730 1.00 0.00 C ATOM 0 H ALA A 122 -0.986 -3.037 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.260 -1.986 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.413 0.340 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.936 -0.299 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.203 -0.212 -6.326 1.00 0.00 H new ATOM 624 N ARG A 123 -1.623 -1.582 -9.648 1.00 0.00 N ATOM 625 CA ARG A 123 -0.678 -1.668 -10.794 1.00 0.00 C ATOM 626 C ARG A 123 -0.080 -0.283 -11.052 1.00 0.00 C ATOM 627 O ARG A 123 -0.773 0.642 -11.427 1.00 0.00 O ATOM 628 CB ARG A 123 -1.433 -2.145 -12.039 1.00 0.00 C ATOM 629 CG ARG A 123 -0.499 -2.121 -13.250 1.00 0.00 C ATOM 630 CD ARG A 123 -1.291 -2.473 -14.512 1.00 0.00 C ATOM 631 NE ARG A 123 -0.930 -3.848 -14.959 1.00 0.00 N ATOM 632 CZ ARG A 123 -0.625 -4.069 -16.208 1.00 0.00 C ATOM 633 NH1 ARG A 123 -1.572 -4.218 -17.095 1.00 0.00 N ATOM 634 NH2 ARG A 123 0.626 -4.141 -16.572 1.00 0.00 N ATOM 0 H ARG A 123 -2.557 -1.246 -9.882 1.00 0.00 H new ATOM 0 HA ARG A 123 0.121 -2.374 -10.566 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.813 -3.154 -11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.296 -1.504 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.047 -1.135 -13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.315 -2.832 -13.109 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.361 -2.414 -14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.075 -1.754 -15.302 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.921 -4.616 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.550 -4.162 -16.811 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.333 -4.391 -18.072 1.00 0.00 H new ATOM 0 HH21 ARG A 123 1.366 -4.024 -15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.864 -4.314 -17.549 1.00 0.00 H new ATOM 648 N SER A 124 1.199 -0.130 -10.846 1.00 0.00 N ATOM 649 CA SER A 124 1.837 1.197 -11.074 1.00 0.00 C ATOM 650 C SER A 124 1.684 1.596 -12.543 1.00 0.00 C ATOM 651 O SER A 124 1.949 0.820 -13.438 1.00 0.00 O ATOM 652 CB SER A 124 3.322 1.116 -10.719 1.00 0.00 C ATOM 653 OG SER A 124 3.896 2.413 -10.803 1.00 0.00 O ATOM 0 H SER A 124 1.830 -0.866 -10.530 1.00 0.00 H new ATOM 0 HA SER A 124 1.352 1.944 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.446 0.715 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.834 0.435 -11.399 1.00 0.00 H new ATOM 0 HG SER A 124 4.848 2.365 -10.574 1.00 0.00 H new ATOM 659 N LEU A 125 1.259 2.804 -12.798 1.00 0.00 N ATOM 660 CA LEU A 125 1.091 3.252 -14.209 1.00 0.00 C ATOM 661 C LEU A 125 2.442 3.710 -14.760 1.00 0.00 C ATOM 662 O LEU A 125 2.634 3.814 -15.956 1.00 0.00 O ATOM 663 CB LEU A 125 0.099 4.416 -14.260 1.00 0.00 C ATOM 664 CG LEU A 125 -1.322 3.880 -14.075 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.251 5.026 -13.671 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.811 3.269 -15.390 1.00 0.00 C ATOM 0 H LEU A 125 1.021 3.499 -12.090 1.00 0.00 H new ATOM 0 HA LEU A 125 0.713 2.426 -14.811 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.331 5.141 -13.479 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.182 4.937 -15.214 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.324 3.118 -13.296 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.263 4.644 -13.539 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.903 5.464 -12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.249 5.788 -14.450 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.823 2.887 -15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.809 4.032 -16.169 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.150 2.453 -15.680 1.00 0.00 H new ATOM 678 N THR A 126 3.384 3.981 -13.897 1.00 0.00 N ATOM 679 CA THR A 126 4.724 4.429 -14.372 1.00 0.00 C ATOM 680 C THR A 126 5.577 3.205 -14.708 1.00 0.00 C ATOM 681 O THR A 126 5.859 2.928 -15.858 1.00 0.00 O ATOM 682 CB THR A 126 5.411 5.242 -13.272 1.00 0.00 C ATOM 683 OG1 THR A 126 4.750 6.493 -13.129 1.00 0.00 O ATOM 684 CG2 THR A 126 6.875 5.477 -13.646 1.00 0.00 C ATOM 0 H THR A 126 3.283 3.911 -12.884 1.00 0.00 H new ATOM 0 HA THR A 126 4.607 5.049 -15.261 1.00 0.00 H new ATOM 0 HB THR A 126 5.363 4.694 -12.331 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.547 6.650 -12.183 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.362 6.056 -12.862 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.381 4.518 -13.757 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.927 6.025 -14.587 1.00 0.00 H new ATOM 692 N THR A 127 5.987 2.467 -13.714 1.00 0.00 N ATOM 693 CA THR A 127 6.818 1.259 -13.976 1.00 0.00 C ATOM 694 C THR A 127 5.972 0.208 -14.698 1.00 0.00 C ATOM 695 O THR A 127 6.452 -0.505 -15.555 1.00 0.00 O ATOM 696 CB THR A 127 7.315 0.688 -12.648 1.00 0.00 C ATOM 697 OG1 THR A 127 6.202 0.281 -11.863 1.00 0.00 O ATOM 698 CG2 THR A 127 8.108 1.757 -11.897 1.00 0.00 C ATOM 0 H THR A 127 5.782 2.648 -12.731 1.00 0.00 H new ATOM 0 HA THR A 127 7.671 1.530 -14.598 1.00 0.00 H new ATOM 0 HB THR A 127 7.958 -0.171 -12.839 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.519 -0.087 -11.012 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.462 1.349 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.961 2.068 -12.500 1.00 0.00 H new ATOM 0 HG23 THR A 127 7.467 2.617 -11.704 1.00 0.00 H new ATOM 706 N GLY A 128 4.717 0.109 -14.357 1.00 0.00 N ATOM 707 CA GLY A 128 3.841 -0.896 -15.024 1.00 0.00 C ATOM 708 C GLY A 128 3.951 -2.235 -14.294 1.00 0.00 C ATOM 709 O GLY A 128 3.531 -3.261 -14.792 1.00 0.00 O ATOM 0 H GLY A 128 4.260 0.680 -13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.807 -0.552 -15.020 1.00 0.00 H new ATOM 0 HA3 GLY A 128 4.134 -1.014 -16.067 1.00 0.00 H new ATOM 713 N GLU A 129 4.511 -2.235 -13.116 1.00 0.00 N ATOM 714 CA GLU A 129 4.647 -3.508 -12.354 1.00 0.00 C ATOM 715 C GLU A 129 3.527 -3.603 -11.317 1.00 0.00 C ATOM 716 O GLU A 129 3.199 -2.639 -10.654 1.00 0.00 O ATOM 717 CB GLU A 129 6.001 -3.536 -11.642 1.00 0.00 C ATOM 718 CG GLU A 129 6.994 -4.370 -12.456 1.00 0.00 C ATOM 719 CD GLU A 129 6.752 -5.856 -12.188 1.00 0.00 C ATOM 720 OE1 GLU A 129 5.684 -6.182 -11.696 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.638 -6.643 -12.477 1.00 0.00 O ATOM 0 H GLU A 129 4.881 -1.408 -12.648 1.00 0.00 H new ATOM 0 HA GLU A 129 4.580 -4.351 -13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.379 -2.521 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.889 -3.958 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.878 -4.158 -13.519 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.016 -4.103 -12.187 1.00 0.00 H new ATOM 728 N THR A 130 2.936 -4.757 -11.170 1.00 0.00 N ATOM 729 CA THR A 130 1.839 -4.913 -10.174 1.00 0.00 C ATOM 730 C THR A 130 2.428 -5.373 -8.840 1.00 0.00 C ATOM 731 O THR A 130 3.182 -6.324 -8.779 1.00 0.00 O ATOM 732 CB THR A 130 0.841 -5.958 -10.677 1.00 0.00 C ATOM 733 OG1 THR A 130 0.922 -6.044 -12.093 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.576 -5.552 -10.268 1.00 0.00 C ATOM 0 H THR A 130 3.166 -5.599 -11.697 1.00 0.00 H new ATOM 0 HA THR A 130 1.330 -3.959 -10.039 1.00 0.00 H new ATOM 0 HB THR A 130 1.078 -6.928 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 130 0.285 -6.714 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.286 -6.297 -10.627 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.637 -5.487 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.817 -4.582 -10.704 1.00 0.00 H new ATOM 742 N GLY A 131 2.093 -4.709 -7.768 1.00 0.00 N ATOM 743 CA GLY A 131 2.640 -5.117 -6.443 1.00 0.00 C ATOM 744 C GLY A 131 1.672 -4.709 -5.334 1.00 0.00 C ATOM 745 O GLY A 131 0.473 -4.665 -5.526 1.00 0.00 O ATOM 0 H GLY A 131 1.466 -3.904 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.798 -6.195 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.611 -4.649 -6.281 1.00 0.00 H new ATOM 749 N TYR A 132 2.183 -4.414 -4.169 1.00 0.00 N ATOM 750 CA TYR A 132 1.291 -4.014 -3.045 1.00 0.00 C ATOM 751 C TYR A 132 1.865 -2.784 -2.339 1.00 0.00 C ATOM 752 O TYR A 132 2.944 -2.821 -1.782 1.00 0.00 O ATOM 753 CB TYR A 132 1.185 -5.164 -2.041 1.00 0.00 C ATOM 754 CG TYR A 132 0.551 -6.366 -2.701 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.226 -7.041 -3.725 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.711 -6.809 -2.286 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.641 -8.157 -4.333 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.296 -7.927 -2.894 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.621 -8.601 -3.918 1.00 0.00 C ATOM 760 OH TYR A 132 -1.198 -9.703 -4.518 1.00 0.00 O ATOM 0 H TYR A 132 3.179 -4.433 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 132 0.303 -3.778 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.175 -5.424 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.590 -4.854 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 132 2.199 -6.700 -4.046 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.233 -6.288 -1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.163 -8.677 -5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.269 -8.269 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 132 -1.996 -9.425 -5.014 1.00 0.00 H new ATOM 770 N ILE A 133 1.143 -1.698 -2.346 1.00 0.00 N ATOM 771 CA ILE A 133 1.634 -0.467 -1.662 1.00 0.00 C ATOM 772 C ILE A 133 0.802 -0.240 -0.395 1.00 0.00 C ATOM 773 O ILE A 133 -0.276 -0.785 -0.262 1.00 0.00 O ATOM 774 CB ILE A 133 1.504 0.742 -2.607 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.072 1.295 -2.579 1.00 0.00 C ATOM 776 CG2 ILE A 133 1.852 0.317 -4.034 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.895 0.268 -3.170 1.00 0.00 C ATOM 0 H ILE A 133 0.232 -1.609 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 133 2.684 -0.585 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 133 2.191 1.520 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.216 1.531 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 133 0.021 2.224 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 133 1.760 1.174 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 133 2.876 -0.057 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.169 -0.469 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.909 0.667 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.613 0.054 -4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -0.853 -0.650 -2.584 1.00 0.00 H new ATOM 789 N PRO A 134 1.323 0.559 0.500 1.00 0.00 N ATOM 790 CA PRO A 134 0.633 0.864 1.763 1.00 0.00 C ATOM 791 C PRO A 134 -0.721 1.520 1.471 1.00 0.00 C ATOM 792 O PRO A 134 -0.811 2.477 0.728 1.00 0.00 O ATOM 793 CB PRO A 134 1.571 1.833 2.499 1.00 0.00 C ATOM 794 CG PRO A 134 2.817 2.054 1.602 1.00 0.00 C ATOM 795 CD PRO A 134 2.630 1.219 0.326 1.00 0.00 C ATOM 0 HA PRO A 134 0.428 -0.026 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.067 2.780 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.863 1.423 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 134 2.928 3.110 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.724 1.753 2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.641 1.848 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.430 0.488 0.210 1.00 0.00 H new ATOM 803 N SER A 135 -1.778 1.006 2.042 1.00 0.00 N ATOM 804 CA SER A 135 -3.124 1.594 1.788 1.00 0.00 C ATOM 805 C SER A 135 -3.178 3.016 2.349 1.00 0.00 C ATOM 806 O SER A 135 -3.757 3.906 1.755 1.00 0.00 O ATOM 807 CB SER A 135 -4.191 0.733 2.469 1.00 0.00 C ATOM 808 OG SER A 135 -4.057 0.846 3.880 1.00 0.00 O ATOM 0 H SER A 135 -1.767 0.205 2.673 1.00 0.00 H new ATOM 0 HA SER A 135 -3.311 1.624 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.186 1.054 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.083 -0.308 2.164 1.00 0.00 H new ATOM 0 HG SER A 135 -4.740 0.297 4.318 1.00 0.00 H new ATOM 814 N ASN A 136 -2.581 3.240 3.487 1.00 0.00 N ATOM 815 CA ASN A 136 -2.600 4.606 4.082 1.00 0.00 C ATOM 816 C ASN A 136 -1.649 5.520 3.306 1.00 0.00 C ATOM 817 O ASN A 136 -1.518 6.691 3.605 1.00 0.00 O ATOM 818 CB ASN A 136 -2.151 4.527 5.541 1.00 0.00 C ATOM 819 CG ASN A 136 -2.537 5.818 6.269 1.00 0.00 C ATOM 820 OD1 ASN A 136 -1.792 6.776 6.264 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.679 5.882 6.899 1.00 0.00 N ATOM 0 H ASN A 136 -2.081 2.536 4.031 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.611 5.010 4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.615 3.670 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.073 4.377 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -3.945 6.737 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -4.305 5.077 6.903 1.00 0.00 H new ATOM 828 N TYR A 137 -0.981 4.996 2.314 1.00 0.00 N ATOM 829 CA TYR A 137 -0.037 5.835 1.524 1.00 0.00 C ATOM 830 C TYR A 137 -0.678 6.219 0.190 1.00 0.00 C ATOM 831 O TYR A 137 -0.023 6.732 -0.695 1.00 0.00 O ATOM 832 CB TYR A 137 1.244 5.042 1.254 1.00 0.00 C ATOM 833 CG TYR A 137 2.235 5.291 2.364 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.798 5.339 3.692 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.590 5.471 2.065 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.716 5.568 4.723 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.509 5.700 3.095 1.00 0.00 C ATOM 838 CZ TYR A 137 4.073 5.749 4.424 1.00 0.00 C ATOM 839 OH TYR A 137 4.978 5.974 5.440 1.00 0.00 O ATOM 0 H TYR A 137 -1.049 4.023 2.017 1.00 0.00 H new ATOM 0 HA TYR A 137 0.198 6.738 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.018 3.978 1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.673 5.338 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.752 5.199 3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 137 3.926 5.433 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.379 5.605 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.555 5.839 2.864 1.00 0.00 H new ATOM 0 HH TYR A 137 5.876 6.077 5.061 1.00 0.00 H new ATOM 849 N VAL A 138 -1.949 5.972 0.029 1.00 0.00 N ATOM 850 CA VAL A 138 -2.606 6.324 -1.261 1.00 0.00 C ATOM 851 C VAL A 138 -3.872 7.142 -1.000 1.00 0.00 C ATOM 852 O VAL A 138 -4.519 7.002 0.018 1.00 0.00 O ATOM 853 CB VAL A 138 -2.971 5.043 -2.010 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.708 4.436 -2.625 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.595 4.041 -1.036 1.00 0.00 C ATOM 0 H VAL A 138 -2.557 5.545 0.728 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.918 6.918 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.686 5.275 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.967 3.522 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.263 5.149 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.994 4.204 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.855 3.128 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.881 3.808 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.494 4.473 -0.596 1.00 0.00 H new ATOM 865 N ALA A 139 -4.227 7.994 -1.922 1.00 0.00 N ATOM 866 CA ALA A 139 -5.449 8.828 -1.749 1.00 0.00 C ATOM 867 C ALA A 139 -5.989 9.208 -3.130 1.00 0.00 C ATOM 868 O ALA A 139 -5.259 9.196 -4.099 1.00 0.00 O ATOM 869 CB ALA A 139 -5.096 10.096 -0.970 1.00 0.00 C ATOM 0 H ALA A 139 -3.720 8.149 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.205 8.268 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.990 10.706 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.701 9.824 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.345 10.663 -1.519 1.00 0.00 H new ATOM 875 N PRO A 140 -7.256 9.530 -3.181 1.00 0.00 N ATOM 876 CA PRO A 140 -7.915 9.912 -4.444 1.00 0.00 C ATOM 877 C PRO A 140 -7.237 11.144 -5.046 1.00 0.00 C ATOM 878 O PRO A 140 -6.889 12.078 -4.350 1.00 0.00 O ATOM 879 CB PRO A 140 -9.364 10.225 -4.051 1.00 0.00 C ATOM 880 CG PRO A 140 -9.498 10.003 -2.521 1.00 0.00 C ATOM 881 CD PRO A 140 -8.128 9.543 -1.995 1.00 0.00 C ATOM 0 HA PRO A 140 -7.858 9.126 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -9.617 11.253 -4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.055 9.579 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -9.808 10.923 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.261 9.254 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.748 10.223 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.191 8.555 -1.539 1.00 0.00 H new ATOM 889 N VAL A 141 -7.047 11.153 -6.337 1.00 0.00 N ATOM 890 CA VAL A 141 -6.392 12.322 -6.985 1.00 0.00 C ATOM 891 C VAL A 141 -7.275 13.560 -6.813 1.00 0.00 C ATOM 892 O VAL A 141 -8.432 13.394 -6.466 1.00 0.00 O ATOM 893 CB VAL A 141 -6.199 12.036 -8.475 1.00 0.00 C ATOM 894 CG1 VAL A 141 -5.425 13.186 -9.121 1.00 0.00 C ATOM 895 CG2 VAL A 141 -5.413 10.733 -8.644 1.00 0.00 C ATOM 896 OXT VAL A 141 -6.776 14.653 -7.028 1.00 0.00 O ATOM 0 H VAL A 141 -7.317 10.401 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 141 -5.422 12.500 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 141 -7.172 11.940 -8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -5.288 12.981 -10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -5.984 14.114 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.451 13.284 -8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.274 10.527 -9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -4.440 10.830 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.965 9.913 -8.184 1.00 0.00 H new TER 906 VAL A 141