USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 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 Single : A 85 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 119:sc= 1.56 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 HD1:sc=-0.00854 X(o=-0.0085,f=-0.26) 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= -1.21 X(o=-1.2,f=-0.76) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.00424 USER MOD Single : A 115 SER OG : rot -46:sc= 0.0705 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 176:sc= 0.286 USER MOD Single : A 127 THR OG1 : rot 137:sc= 1.29 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc=-0.00117 USER MOD Single : A 136 ASN : amide:sc= -3.4! C(o=-3.4!,f=-8.8!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -11.454 5.337 -12.991 1.00 0.00 N ATOM 2 CA VAL A 84 -12.505 4.802 -12.081 1.00 0.00 C ATOM 3 C VAL A 84 -11.933 4.659 -10.669 1.00 0.00 C ATOM 4 O VAL A 84 -12.545 5.061 -9.698 1.00 0.00 O ATOM 5 CB VAL A 84 -12.964 3.433 -12.585 1.00 0.00 C ATOM 6 CG1 VAL A 84 -13.718 3.604 -13.905 1.00 0.00 C ATOM 7 CG2 VAL A 84 -11.742 2.537 -12.811 1.00 0.00 C ATOM 0 HA VAL A 84 -13.353 5.487 -12.062 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.621 2.975 -11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.046 2.629 -14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.586 4.244 -13.748 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.060 4.061 -14.644 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.068 1.561 -13.170 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.086 2.996 -13.551 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.201 2.416 -11.873 1.00 0.00 H new ATOM 19 N THR A 85 -10.767 4.088 -10.546 1.00 0.00 N ATOM 20 CA THR A 85 -10.158 3.918 -9.198 1.00 0.00 C ATOM 21 C THR A 85 -8.671 4.273 -9.260 1.00 0.00 C ATOM 22 O THR A 85 -7.820 3.409 -9.337 1.00 0.00 O ATOM 23 CB THR A 85 -10.317 2.462 -8.753 1.00 0.00 C ATOM 24 OG1 THR A 85 -10.717 1.671 -9.863 1.00 0.00 O ATOM 25 CG2 THR A 85 -11.373 2.376 -7.652 1.00 0.00 C ATOM 0 H THR A 85 -10.209 3.731 -11.322 1.00 0.00 H new ATOM 0 HA THR A 85 -10.657 4.575 -8.486 1.00 0.00 H new ATOM 0 HB THR A 85 -9.367 2.092 -8.368 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.818 0.738 -9.580 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.485 1.339 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.062 2.983 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.326 2.745 -8.032 1.00 0.00 H new ATOM 33 N LEU A 86 -8.351 5.538 -9.230 1.00 0.00 N ATOM 34 CA LEU A 86 -6.918 5.944 -9.289 1.00 0.00 C ATOM 35 C LEU A 86 -6.514 6.594 -7.964 1.00 0.00 C ATOM 36 O LEU A 86 -7.265 7.343 -7.373 1.00 0.00 O ATOM 37 CB LEU A 86 -6.720 6.944 -10.428 1.00 0.00 C ATOM 38 CG LEU A 86 -6.790 6.211 -11.768 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.500 7.193 -12.905 1.00 0.00 C ATOM 40 CD2 LEU A 86 -5.754 5.087 -11.788 1.00 0.00 C ATOM 0 H LEU A 86 -9.019 6.307 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.299 5.064 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.486 7.718 -10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.757 7.443 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.787 5.790 -11.899 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.550 6.669 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.239 7.994 -12.891 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.504 7.616 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.803 4.564 -12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.757 5.508 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.962 4.386 -10.979 1.00 0.00 H new ATOM 52 N PHE A 87 -5.329 6.312 -7.494 1.00 0.00 N ATOM 53 CA PHE A 87 -4.872 6.913 -6.209 1.00 0.00 C ATOM 54 C PHE A 87 -3.466 7.488 -6.392 1.00 0.00 C ATOM 55 O PHE A 87 -2.801 7.223 -7.373 1.00 0.00 O ATOM 56 CB PHE A 87 -4.843 5.836 -5.124 1.00 0.00 C ATOM 57 CG PHE A 87 -6.256 5.488 -4.717 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.121 4.881 -5.636 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.701 5.771 -3.420 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.430 4.559 -5.259 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.010 5.448 -3.042 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.874 4.842 -3.962 1.00 0.00 C ATOM 0 H PHE A 87 -4.657 5.691 -7.945 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.557 7.707 -5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.331 4.947 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.282 6.191 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.778 4.661 -6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.034 6.239 -2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.097 4.092 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.353 5.666 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.884 4.593 -3.671 1.00 0.00 H new ATOM 72 N VAL A 88 -3.006 8.271 -5.455 1.00 0.00 N ATOM 73 CA VAL A 88 -1.639 8.856 -5.578 1.00 0.00 C ATOM 74 C VAL A 88 -0.870 8.613 -4.279 1.00 0.00 C ATOM 75 O VAL A 88 -1.443 8.566 -3.209 1.00 0.00 O ATOM 76 CB VAL A 88 -1.736 10.362 -5.839 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.550 10.809 -6.694 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.040 10.675 -6.577 1.00 0.00 C ATOM 0 H VAL A 88 -3.516 8.531 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.118 8.383 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.722 10.893 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.619 11.881 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.380 10.591 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.564 10.274 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.106 11.747 -6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.057 10.142 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.887 10.359 -5.969 1.00 0.00 H new ATOM 88 N ALA A 89 0.422 8.458 -4.361 1.00 0.00 N ATOM 89 CA ALA A 89 1.223 8.216 -3.128 1.00 0.00 C ATOM 90 C ALA A 89 1.560 9.553 -2.467 1.00 0.00 C ATOM 91 O ALA A 89 2.359 10.320 -2.967 1.00 0.00 O ATOM 92 CB ALA A 89 2.517 7.485 -3.493 1.00 0.00 C ATOM 0 H ALA A 89 0.958 8.488 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 89 0.645 7.605 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.102 7.308 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.276 6.531 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.096 8.094 -4.187 1.00 0.00 H new ATOM 98 N LEU A 90 0.958 9.837 -1.346 1.00 0.00 N ATOM 99 CA LEU A 90 1.244 11.125 -0.653 1.00 0.00 C ATOM 100 C LEU A 90 2.723 11.173 -0.256 1.00 0.00 C ATOM 101 O LEU A 90 3.267 12.223 0.018 1.00 0.00 O ATOM 102 CB LEU A 90 0.374 11.234 0.601 1.00 0.00 C ATOM 103 CG LEU A 90 -1.091 10.992 0.229 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.822 10.357 1.413 1.00 0.00 C ATOM 105 CD2 LEU A 90 -1.755 12.325 -0.122 1.00 0.00 C ATOM 0 H LEU A 90 0.281 9.234 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 90 1.021 11.956 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.697 10.505 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.488 12.220 1.051 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.140 10.322 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.865 10.185 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.350 9.407 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.772 11.026 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.798 12.153 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.704 12.994 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.236 12.779 -0.966 1.00 0.00 H new ATOM 117 N TYR A 91 3.376 10.042 -0.225 1.00 0.00 N ATOM 118 CA TYR A 91 4.818 10.023 0.152 1.00 0.00 C ATOM 119 C TYR A 91 5.536 8.919 -0.630 1.00 0.00 C ATOM 120 O TYR A 91 4.935 8.212 -1.416 1.00 0.00 O ATOM 121 CB TYR A 91 4.956 9.746 1.652 1.00 0.00 C ATOM 122 CG TYR A 91 3.763 10.308 2.389 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.606 11.693 2.512 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.816 9.442 2.947 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.499 12.214 3.195 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.709 9.963 3.630 1.00 0.00 C ATOM 127 CZ TYR A 91 1.551 11.348 3.753 1.00 0.00 C ATOM 128 OH TYR A 91 0.461 11.861 4.426 1.00 0.00 O ATOM 0 H TYR A 91 2.973 9.131 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 91 5.262 10.990 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.031 8.673 1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.874 10.196 2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.338 12.360 2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.938 8.373 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.377 13.283 3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.978 9.296 4.062 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.099 11.125 4.750 1.00 0.00 H new ATOM 138 N ASP A 92 6.813 8.763 -0.418 1.00 0.00 N ATOM 139 CA ASP A 92 7.565 7.702 -1.147 1.00 0.00 C ATOM 140 C ASP A 92 7.518 6.403 -0.337 1.00 0.00 C ATOM 141 O ASP A 92 7.001 6.366 0.762 1.00 0.00 O ATOM 142 CB ASP A 92 9.022 8.140 -1.333 1.00 0.00 C ATOM 143 CG ASP A 92 9.771 8.022 -0.003 1.00 0.00 C ATOM 144 OD1 ASP A 92 10.164 6.916 0.336 1.00 0.00 O ATOM 145 OD2 ASP A 92 9.939 9.036 0.653 1.00 0.00 O ATOM 0 H ASP A 92 7.369 9.324 0.228 1.00 0.00 H new ATOM 0 HA ASP A 92 7.112 7.539 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.504 7.520 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.059 9.168 -1.692 1.00 0.00 H new ATOM 150 N TYR A 93 8.052 5.339 -0.870 1.00 0.00 N ATOM 151 CA TYR A 93 8.034 4.048 -0.126 1.00 0.00 C ATOM 152 C TYR A 93 9.070 3.095 -0.727 1.00 0.00 C ATOM 153 O TYR A 93 9.234 3.017 -1.928 1.00 0.00 O ATOM 154 CB TYR A 93 6.642 3.421 -0.230 1.00 0.00 C ATOM 155 CG TYR A 93 6.662 2.044 0.388 1.00 0.00 C ATOM 156 CD1 TYR A 93 7.037 1.883 1.728 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.303 0.929 -0.377 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.054 0.607 2.301 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.320 -0.348 0.196 1.00 0.00 C ATOM 160 CZ TYR A 93 6.696 -0.509 1.536 1.00 0.00 C ATOM 161 OH TYR A 93 6.712 -1.768 2.101 1.00 0.00 O ATOM 0 H TYR A 93 8.499 5.307 -1.786 1.00 0.00 H new ATOM 0 HA TYR A 93 8.275 4.229 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.910 4.049 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.337 3.358 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.313 2.744 2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.013 1.054 -1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.343 0.483 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.043 -1.209 -0.395 1.00 0.00 H new ATOM 0 HH TYR A 93 5.809 -2.148 2.080 1.00 0.00 H new ATOM 171 N GLU A 94 9.769 2.366 0.101 1.00 0.00 N ATOM 172 CA GLU A 94 10.792 1.417 -0.423 1.00 0.00 C ATOM 173 C GLU A 94 10.326 -0.020 -0.180 1.00 0.00 C ATOM 174 O GLU A 94 10.276 -0.484 0.942 1.00 0.00 O ATOM 175 CB GLU A 94 12.122 1.651 0.295 1.00 0.00 C ATOM 176 CG GLU A 94 12.909 2.742 -0.434 1.00 0.00 C ATOM 177 CD GLU A 94 14.124 2.121 -1.125 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.604 1.109 -0.640 1.00 0.00 O ATOM 179 OE2 GLU A 94 14.555 2.668 -2.127 1.00 0.00 O ATOM 0 H GLU A 94 9.676 2.387 1.117 1.00 0.00 H new ATOM 0 HA GLU A 94 10.924 1.580 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.943 1.946 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.700 0.727 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.272 3.235 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.231 3.507 0.273 1.00 0.00 H new ATOM 186 N ALA A 95 9.983 -0.726 -1.222 1.00 0.00 N ATOM 187 CA ALA A 95 9.518 -2.130 -1.052 1.00 0.00 C ATOM 188 C ALA A 95 10.643 -2.975 -0.452 1.00 0.00 C ATOM 189 O ALA A 95 11.647 -3.232 -1.087 1.00 0.00 O ATOM 190 CB ALA A 95 9.121 -2.703 -2.413 1.00 0.00 C ATOM 0 H ALA A 95 10.005 -0.390 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 95 8.657 -2.147 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.780 -3.731 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.317 -2.103 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.982 -2.684 -3.081 1.00 0.00 H new ATOM 196 N ARG A 96 10.483 -3.411 0.767 1.00 0.00 N ATOM 197 CA ARG A 96 11.542 -4.243 1.406 1.00 0.00 C ATOM 198 C ARG A 96 11.278 -5.720 1.110 1.00 0.00 C ATOM 199 O ARG A 96 12.074 -6.579 1.434 1.00 0.00 O ATOM 200 CB ARG A 96 11.522 -4.018 2.919 1.00 0.00 C ATOM 201 CG ARG A 96 12.936 -4.175 3.481 1.00 0.00 C ATOM 202 CD ARG A 96 13.122 -3.232 4.672 1.00 0.00 C ATOM 203 NE ARG A 96 11.822 -3.062 5.381 1.00 0.00 N ATOM 204 CZ ARG A 96 11.556 -3.780 6.438 1.00 0.00 C ATOM 205 NH1 ARG A 96 10.976 -4.942 6.309 1.00 0.00 N ATOM 206 NH2 ARG A 96 11.871 -3.335 7.623 1.00 0.00 N ATOM 0 H ARG A 96 9.665 -3.227 1.348 1.00 0.00 H new ATOM 0 HA ARG A 96 12.516 -3.960 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.139 -3.022 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.850 -4.733 3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.103 -5.207 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.672 -3.952 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.870 -3.635 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.490 -2.265 4.329 1.00 0.00 H new ATOM 0 HE ARG A 96 11.140 -2.384 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.730 -5.289 5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.768 -5.503 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.325 -2.427 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.664 -3.895 8.450 1.00 0.00 H new ATOM 220 N THR A 97 10.166 -6.024 0.497 1.00 0.00 N ATOM 221 CA THR A 97 9.854 -7.447 0.186 1.00 0.00 C ATOM 222 C THR A 97 9.753 -7.629 -1.330 1.00 0.00 C ATOM 223 O THR A 97 9.903 -6.692 -2.090 1.00 0.00 O ATOM 224 CB THR A 97 8.524 -7.832 0.835 1.00 0.00 C ATOM 225 OG1 THR A 97 7.455 -7.268 0.091 1.00 0.00 O ATOM 226 CG2 THR A 97 8.481 -7.307 2.272 1.00 0.00 C ATOM 0 H THR A 97 9.462 -5.349 0.199 1.00 0.00 H new ATOM 0 HA THR A 97 10.647 -8.085 0.576 1.00 0.00 H new ATOM 0 HB THR A 97 8.427 -8.918 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.602 -7.515 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.532 -7.583 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.301 -7.742 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.579 -6.221 2.266 1.00 0.00 H new ATOM 234 N GLU A 98 9.502 -8.830 -1.777 1.00 0.00 N ATOM 235 CA GLU A 98 9.392 -9.074 -3.244 1.00 0.00 C ATOM 236 C GLU A 98 7.929 -8.962 -3.675 1.00 0.00 C ATOM 237 O GLU A 98 7.571 -9.312 -4.783 1.00 0.00 O ATOM 238 CB GLU A 98 9.911 -10.477 -3.567 1.00 0.00 C ATOM 239 CG GLU A 98 11.425 -10.523 -3.359 1.00 0.00 C ATOM 240 CD GLU A 98 11.744 -11.325 -2.096 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.348 -10.891 -1.026 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.377 -12.360 -2.220 1.00 0.00 O ATOM 0 H GLU A 98 9.368 -9.653 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 98 9.985 -8.333 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.423 -11.213 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.667 -10.738 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.908 -10.979 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.821 -9.511 -3.270 1.00 0.00 H new ATOM 249 N ASP A 99 7.078 -8.480 -2.812 1.00 0.00 N ATOM 250 CA ASP A 99 5.638 -8.350 -3.179 1.00 0.00 C ATOM 251 C ASP A 99 5.195 -6.895 -3.013 1.00 0.00 C ATOM 252 O ASP A 99 4.069 -6.544 -3.304 1.00 0.00 O ATOM 253 CB ASP A 99 4.793 -9.247 -2.270 1.00 0.00 C ATOM 254 CG ASP A 99 5.596 -10.490 -1.882 1.00 0.00 C ATOM 255 OD1 ASP A 99 5.893 -11.278 -2.765 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.901 -10.633 -0.709 1.00 0.00 O ATOM 0 H ASP A 99 7.316 -8.171 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 99 5.502 -8.654 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.497 -8.699 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.876 -9.540 -2.782 1.00 0.00 H new ATOM 261 N ASP A 100 6.071 -6.045 -2.549 1.00 0.00 N ATOM 262 CA ASP A 100 5.696 -4.614 -2.367 1.00 0.00 C ATOM 263 C ASP A 100 6.247 -3.793 -3.534 1.00 0.00 C ATOM 264 O ASP A 100 7.054 -4.265 -4.310 1.00 0.00 O ATOM 265 CB ASP A 100 6.285 -4.096 -1.054 1.00 0.00 C ATOM 266 CG ASP A 100 5.640 -4.832 0.121 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.950 -5.808 -0.124 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.847 -4.407 1.246 1.00 0.00 O ATOM 0 H ASP A 100 7.029 -6.280 -2.289 1.00 0.00 H new ATOM 0 HA ASP A 100 4.610 -4.522 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.364 -4.247 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.112 -3.024 -0.964 1.00 0.00 H new ATOM 273 N LEU A 101 5.818 -2.568 -3.667 1.00 0.00 N ATOM 274 CA LEU A 101 6.319 -1.723 -4.785 1.00 0.00 C ATOM 275 C LEU A 101 7.071 -0.516 -4.222 1.00 0.00 C ATOM 276 O LEU A 101 6.953 -0.184 -3.059 1.00 0.00 O ATOM 277 CB LEU A 101 5.137 -1.235 -5.626 1.00 0.00 C ATOM 278 CG LEU A 101 4.277 -2.431 -6.037 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.797 -2.072 -5.894 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.574 -2.796 -7.493 1.00 0.00 C ATOM 0 H LEU A 101 5.143 -2.117 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 101 6.993 -2.313 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.540 -0.523 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.498 -0.711 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 101 4.507 -3.280 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.186 -2.925 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.584 -1.812 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.565 -1.222 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.961 -3.648 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.345 -1.946 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.628 -3.054 -7.596 1.00 0.00 H new ATOM 292 N SER A 102 7.839 0.144 -5.042 1.00 0.00 N ATOM 293 CA SER A 102 8.598 1.334 -4.564 1.00 0.00 C ATOM 294 C SER A 102 8.234 2.538 -5.433 1.00 0.00 C ATOM 295 O SER A 102 7.993 2.408 -6.616 1.00 0.00 O ATOM 296 CB SER A 102 10.099 1.060 -4.672 1.00 0.00 C ATOM 297 OG SER A 102 10.301 -0.272 -5.126 1.00 0.00 O ATOM 0 H SER A 102 7.975 -0.089 -6.026 1.00 0.00 H new ATOM 0 HA SER A 102 8.345 1.540 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.561 1.766 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.577 1.203 -3.703 1.00 0.00 H new ATOM 0 HG SER A 102 11.262 -0.451 -5.198 1.00 0.00 H new ATOM 303 N PHE A 103 8.182 3.707 -4.858 1.00 0.00 N ATOM 304 CA PHE A 103 7.822 4.907 -5.662 1.00 0.00 C ATOM 305 C PHE A 103 8.114 6.175 -4.858 1.00 0.00 C ATOM 306 O PHE A 103 8.737 6.135 -3.815 1.00 0.00 O ATOM 307 CB PHE A 103 6.332 4.854 -6.004 1.00 0.00 C ATOM 308 CG PHE A 103 5.545 4.488 -4.767 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.225 5.473 -3.825 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.134 3.164 -4.564 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.493 5.136 -2.680 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.402 2.827 -3.417 1.00 0.00 C ATOM 313 CZ PHE A 103 4.082 3.813 -2.476 1.00 0.00 C ATOM 0 H PHE A 103 8.372 3.883 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 103 8.411 4.920 -6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.001 5.820 -6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.154 4.121 -6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.543 6.493 -3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.381 2.404 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.245 5.896 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.085 1.807 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.518 3.553 -1.592 1.00 0.00 H new ATOM 323 N HIS A 104 7.666 7.303 -5.337 1.00 0.00 N ATOM 324 CA HIS A 104 7.914 8.576 -4.606 1.00 0.00 C ATOM 325 C HIS A 104 6.624 9.399 -4.570 1.00 0.00 C ATOM 326 O HIS A 104 5.705 9.166 -5.329 1.00 0.00 O ATOM 327 CB HIS A 104 9.010 9.370 -5.319 1.00 0.00 C ATOM 328 CG HIS A 104 8.876 9.187 -6.805 1.00 0.00 C ATOM 329 ND1 HIS A 104 7.868 9.796 -7.536 1.00 0.00 N ATOM 330 CD2 HIS A 104 9.614 8.466 -7.711 1.00 0.00 C ATOM 331 CE1 HIS A 104 8.026 9.435 -8.823 1.00 0.00 C ATOM 332 NE2 HIS A 104 9.076 8.624 -8.985 1.00 0.00 N ATOM 0 H HIS A 104 7.138 7.397 -6.205 1.00 0.00 H new ATOM 0 HA HIS A 104 8.234 8.356 -3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.933 10.427 -5.064 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.992 9.033 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.480 7.867 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.383 9.761 -9.627 1.00 0.00 H new ATOM 0 HE2 HIS A 104 9.411 8.210 -9.855 1.00 0.00 H new ATOM 340 N LYS A 105 6.549 10.360 -3.691 1.00 0.00 N ATOM 341 CA LYS A 105 5.319 11.196 -3.602 1.00 0.00 C ATOM 342 C LYS A 105 4.987 11.772 -4.981 1.00 0.00 C ATOM 343 O LYS A 105 5.802 12.420 -5.607 1.00 0.00 O ATOM 344 CB LYS A 105 5.556 12.340 -2.614 1.00 0.00 C ATOM 345 CG LYS A 105 4.256 13.121 -2.416 1.00 0.00 C ATOM 346 CD LYS A 105 4.471 14.207 -1.361 1.00 0.00 C ATOM 347 CE LYS A 105 5.360 15.309 -1.939 1.00 0.00 C ATOM 348 NZ LYS A 105 4.534 16.519 -2.216 1.00 0.00 N ATOM 0 H LYS A 105 7.287 10.603 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 105 4.486 10.582 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.904 11.944 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.337 13.002 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.942 13.571 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.458 12.447 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.512 14.623 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.935 13.779 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.158 15.553 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.837 14.963 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.138 17.269 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.788 16.281 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.099 16.852 -1.332 1.00 0.00 H new ATOM 362 N GLY A 106 3.792 11.545 -5.456 1.00 0.00 N ATOM 363 CA GLY A 106 3.405 12.082 -6.793 1.00 0.00 C ATOM 364 C GLY A 106 3.261 10.933 -7.793 1.00 0.00 C ATOM 365 O GLY A 106 2.967 11.142 -8.953 1.00 0.00 O ATOM 0 H GLY A 106 3.067 11.011 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.466 12.629 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.158 12.788 -7.143 1.00 0.00 H new ATOM 369 N GLU A 107 3.466 9.719 -7.357 1.00 0.00 N ATOM 370 CA GLU A 107 3.341 8.562 -8.288 1.00 0.00 C ATOM 371 C GLU A 107 1.880 8.110 -8.355 1.00 0.00 C ATOM 372 O GLU A 107 1.199 8.026 -7.353 1.00 0.00 O ATOM 373 CB GLU A 107 4.207 7.406 -7.784 1.00 0.00 C ATOM 374 CG GLU A 107 4.576 6.493 -8.954 1.00 0.00 C ATOM 375 CD GLU A 107 6.068 6.630 -9.259 1.00 0.00 C ATOM 376 OE1 GLU A 107 6.847 6.626 -8.320 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.408 6.735 -10.426 1.00 0.00 O ATOM 0 H GLU A 107 3.714 9.479 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 107 3.673 8.862 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.110 7.794 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.669 6.840 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.338 5.458 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.989 6.757 -9.834 1.00 0.00 H new ATOM 384 N LYS A 108 1.395 7.813 -9.532 1.00 0.00 N ATOM 385 CA LYS A 108 -0.020 7.360 -9.664 1.00 0.00 C ATOM 386 C LYS A 108 -0.083 5.844 -9.464 1.00 0.00 C ATOM 387 O LYS A 108 0.899 5.147 -9.631 1.00 0.00 O ATOM 388 CB LYS A 108 -0.540 7.715 -11.059 1.00 0.00 C ATOM 389 CG LYS A 108 -1.173 9.109 -11.033 1.00 0.00 C ATOM 390 CD LYS A 108 -0.260 10.096 -11.763 1.00 0.00 C ATOM 391 CE LYS A 108 -1.062 11.339 -12.159 1.00 0.00 C ATOM 392 NZ LYS A 108 -0.361 12.049 -13.264 1.00 0.00 N ATOM 0 H LYS A 108 1.917 7.865 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.636 7.854 -8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.277 7.689 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.274 6.977 -11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.154 9.084 -11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.326 9.432 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.575 10.378 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.165 9.627 -12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.065 11.053 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.175 12.001 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.905 12.893 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.587 12.335 -12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.275 11.416 -14.084 1.00 0.00 H new ATOM 406 N PHE A 109 -1.227 5.325 -9.107 1.00 0.00 N ATOM 407 CA PHE A 109 -1.339 3.852 -8.898 1.00 0.00 C ATOM 408 C PHE A 109 -2.760 3.390 -9.229 1.00 0.00 C ATOM 409 O PHE A 109 -3.705 4.149 -9.150 1.00 0.00 O ATOM 410 CB PHE A 109 -1.024 3.518 -7.439 1.00 0.00 C ATOM 411 CG PHE A 109 0.465 3.616 -7.210 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.317 2.632 -7.726 1.00 0.00 C ATOM 413 CD2 PHE A 109 0.994 4.689 -6.484 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.697 2.722 -7.517 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.375 4.780 -6.275 1.00 0.00 C ATOM 416 CZ PHE A 109 3.226 3.796 -6.792 1.00 0.00 C ATOM 0 H PHE A 109 -2.085 5.854 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.631 3.341 -9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.551 4.204 -6.776 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.374 2.513 -7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.909 1.803 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.336 5.447 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.354 1.963 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.784 5.608 -5.715 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.292 3.866 -6.631 1.00 0.00 H new ATOM 426 N GLN A 110 -2.915 2.147 -9.597 1.00 0.00 N ATOM 427 CA GLN A 110 -4.271 1.629 -9.932 1.00 0.00 C ATOM 428 C GLN A 110 -4.712 0.626 -8.862 1.00 0.00 C ATOM 429 O GLN A 110 -4.351 -0.533 -8.901 1.00 0.00 O ATOM 430 CB GLN A 110 -4.227 0.931 -11.293 1.00 0.00 C ATOM 431 CG GLN A 110 -4.662 1.908 -12.385 1.00 0.00 C ATOM 432 CD GLN A 110 -5.016 1.132 -13.653 1.00 0.00 C ATOM 433 OE1 GLN A 110 -6.104 1.265 -14.179 1.00 0.00 O ATOM 434 NE2 GLN A 110 -4.137 0.318 -14.173 1.00 0.00 N ATOM 0 H GLN A 110 -2.159 1.467 -9.680 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.978 2.458 -9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.219 0.570 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.883 0.060 -11.288 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.522 2.487 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.861 2.618 -12.592 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.224 0.205 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.364 -0.205 -15.019 1.00 0.00 H new ATOM 443 N ILE A 111 -5.491 1.060 -7.909 1.00 0.00 N ATOM 444 CA ILE A 111 -5.951 0.123 -6.845 1.00 0.00 C ATOM 445 C ILE A 111 -6.957 -0.864 -7.439 1.00 0.00 C ATOM 446 O ILE A 111 -8.067 -0.505 -7.777 1.00 0.00 O ATOM 447 CB ILE A 111 -6.620 0.913 -5.718 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.596 1.846 -5.066 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.160 -0.059 -4.667 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.385 1.033 -4.603 1.00 0.00 C ATOM 0 H ILE A 111 -5.828 2.019 -7.821 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.095 -0.421 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.440 1.503 -6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.283 2.612 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.047 2.362 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.637 0.502 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.890 -0.724 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.338 -0.648 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.656 1.698 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.705 0.284 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.930 0.538 -5.461 1.00 0.00 H new ATOM 462 N LEU A 112 -6.580 -2.108 -7.567 1.00 0.00 N ATOM 463 CA LEU A 112 -7.520 -3.114 -8.139 1.00 0.00 C ATOM 464 C LEU A 112 -8.276 -3.804 -7.004 1.00 0.00 C ATOM 465 O LEU A 112 -9.443 -4.120 -7.123 1.00 0.00 O ATOM 466 CB LEU A 112 -6.734 -4.161 -8.935 1.00 0.00 C ATOM 467 CG LEU A 112 -5.486 -3.519 -9.541 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.780 -4.532 -10.442 1.00 0.00 C ATOM 469 CD2 LEU A 112 -5.893 -2.298 -10.369 1.00 0.00 C ATOM 0 H LEU A 112 -5.664 -2.470 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.227 -2.613 -8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.450 -4.988 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.360 -4.577 -9.724 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.811 -3.209 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.890 -4.076 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.492 -5.403 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.454 -4.841 -11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.004 -1.839 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.567 -2.608 -11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.399 -1.576 -9.728 1.00 0.00 H new ATOM 481 N ASN A 113 -7.618 -4.041 -5.905 1.00 0.00 N ATOM 482 CA ASN A 113 -8.296 -4.713 -4.761 1.00 0.00 C ATOM 483 C ASN A 113 -7.797 -4.109 -3.448 1.00 0.00 C ATOM 484 O ASN A 113 -6.630 -4.189 -3.119 1.00 0.00 O ATOM 485 CB ASN A 113 -7.976 -6.210 -4.786 1.00 0.00 C ATOM 486 CG ASN A 113 -9.200 -7.001 -4.322 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.318 -7.333 -3.159 1.00 0.00 O ATOM 488 ND2 ASN A 113 -10.123 -7.318 -5.188 1.00 0.00 N ATOM 0 H ASN A 113 -6.640 -3.799 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.373 -4.570 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.693 -6.515 -5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.126 -6.422 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.944 -7.845 -4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -10.024 -7.039 -6.164 1.00 0.00 H new ATOM 495 N SER A 114 -8.673 -3.504 -2.694 1.00 0.00 N ATOM 496 CA SER A 114 -8.248 -2.896 -1.402 1.00 0.00 C ATOM 497 C SER A 114 -8.992 -3.576 -0.252 1.00 0.00 C ATOM 498 O SER A 114 -9.218 -2.990 0.788 1.00 0.00 O ATOM 499 CB SER A 114 -8.576 -1.402 -1.411 1.00 0.00 C ATOM 500 OG SER A 114 -9.691 -1.170 -2.263 1.00 0.00 O ATOM 0 H SER A 114 -9.663 -3.404 -2.916 1.00 0.00 H new ATOM 0 HA SER A 114 -7.174 -3.031 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.799 -1.061 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.714 -0.831 -1.757 1.00 0.00 H new ATOM 0 HG SER A 114 -9.904 -0.214 -2.269 1.00 0.00 H new ATOM 506 N SER A 115 -9.372 -4.812 -0.430 1.00 0.00 N ATOM 507 CA SER A 115 -10.101 -5.533 0.652 1.00 0.00 C ATOM 508 C SER A 115 -9.105 -5.993 1.720 1.00 0.00 C ATOM 509 O SER A 115 -9.470 -6.635 2.686 1.00 0.00 O ATOM 510 CB SER A 115 -10.813 -6.751 0.063 1.00 0.00 C ATOM 511 OG SER A 115 -11.839 -7.171 0.953 1.00 0.00 O ATOM 0 H SER A 115 -9.209 -5.354 -1.279 1.00 0.00 H new ATOM 0 HA SER A 115 -10.835 -4.865 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.238 -6.503 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.101 -7.561 -0.098 1.00 0.00 H new ATOM 0 HG SER A 115 -11.487 -7.202 1.867 1.00 0.00 H new ATOM 517 N GLU A 116 -7.850 -5.670 1.557 1.00 0.00 N ATOM 518 CA GLU A 116 -6.836 -6.089 2.564 1.00 0.00 C ATOM 519 C GLU A 116 -7.011 -5.260 3.837 1.00 0.00 C ATOM 520 O GLU A 116 -8.031 -4.634 4.046 1.00 0.00 O ATOM 521 CB GLU A 116 -5.433 -5.865 1.997 1.00 0.00 C ATOM 522 CG GLU A 116 -5.372 -6.391 0.560 1.00 0.00 C ATOM 523 CD GLU A 116 -4.550 -7.681 0.519 1.00 0.00 C ATOM 524 OE1 GLU A 116 -3.909 -7.986 1.511 1.00 0.00 O ATOM 525 OE2 GLU A 116 -4.577 -8.343 -0.506 1.00 0.00 O ATOM 0 H GLU A 116 -7.484 -5.134 0.770 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.969 -7.145 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.186 -4.803 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.694 -6.376 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.379 -6.578 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.924 -5.642 -0.093 1.00 0.00 H new ATOM 532 N GLY A 117 -6.023 -5.249 4.690 1.00 0.00 N ATOM 533 CA GLY A 117 -6.136 -4.460 5.948 1.00 0.00 C ATOM 534 C GLY A 117 -4.842 -3.679 6.183 1.00 0.00 C ATOM 535 O GLY A 117 -4.540 -3.278 7.290 1.00 0.00 O ATOM 0 H GLY A 117 -5.144 -5.752 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.980 -3.773 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.329 -5.125 6.790 1.00 0.00 H new ATOM 539 N ASP A 118 -4.072 -3.458 5.151 1.00 0.00 N ATOM 540 CA ASP A 118 -2.800 -2.701 5.323 1.00 0.00 C ATOM 541 C ASP A 118 -2.068 -2.609 3.981 1.00 0.00 C ATOM 542 O ASP A 118 -1.454 -1.609 3.667 1.00 0.00 O ATOM 543 CB ASP A 118 -1.911 -3.421 6.338 1.00 0.00 C ATOM 544 CG ASP A 118 -0.601 -2.648 6.508 1.00 0.00 C ATOM 545 OD1 ASP A 118 -0.662 -1.435 6.616 1.00 0.00 O ATOM 546 OD2 ASP A 118 0.440 -3.284 6.529 1.00 0.00 O ATOM 0 H ASP A 118 -4.269 -3.768 4.199 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.025 -1.697 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.425 -3.501 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.705 -4.437 6.001 1.00 0.00 H new ATOM 551 N TRP A 119 -2.124 -3.644 3.188 1.00 0.00 N ATOM 552 CA TRP A 119 -1.425 -3.610 1.872 1.00 0.00 C ATOM 553 C TRP A 119 -2.448 -3.736 0.741 1.00 0.00 C ATOM 554 O TRP A 119 -3.196 -4.690 0.669 1.00 0.00 O ATOM 555 CB TRP A 119 -0.433 -4.772 1.792 1.00 0.00 C ATOM 556 CG TRP A 119 0.597 -4.622 2.866 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.582 -5.271 4.052 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.787 -3.781 2.873 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.687 -4.883 4.788 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.460 -3.965 4.104 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.342 -2.886 1.942 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.642 -3.286 4.400 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.531 -2.199 2.235 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.180 -2.399 3.462 1.00 0.00 C ATOM 0 H TRP A 119 -2.622 -4.510 3.394 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.891 -2.665 1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.958 -5.721 1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.046 -4.788 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.170 -5.977 4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.904 -5.232 5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.850 -2.726 0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.138 -3.444 5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.948 -1.513 1.512 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.095 -1.868 3.682 1.00 0.00 H new ATOM 575 N TRP A 120 -2.482 -2.780 -0.148 1.00 0.00 N ATOM 576 CA TRP A 120 -3.452 -2.843 -1.280 1.00 0.00 C ATOM 577 C TRP A 120 -2.712 -3.245 -2.558 1.00 0.00 C ATOM 578 O TRP A 120 -1.532 -2.997 -2.706 1.00 0.00 O ATOM 579 CB TRP A 120 -4.086 -1.466 -1.488 1.00 0.00 C ATOM 580 CG TRP A 120 -5.171 -1.240 -0.485 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.556 -2.123 0.466 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.019 -0.067 -0.321 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.586 -1.564 1.203 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.907 -0.297 0.755 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.101 1.163 -0.998 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.844 0.661 1.147 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.043 2.129 -0.607 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.912 1.879 0.463 1.00 0.00 C ATOM 0 H TRP A 120 -1.879 -1.957 -0.139 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.227 -3.575 -1.051 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.326 -0.690 -1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.492 -1.393 -2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.130 -3.103 0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.051 -2.031 1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.435 1.366 -1.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.512 0.463 1.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.098 3.070 -1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.634 2.626 0.759 1.00 0.00 H new ATOM 599 N GLU A 121 -3.397 -3.850 -3.488 1.00 0.00 N ATOM 600 CA GLU A 121 -2.732 -4.250 -4.761 1.00 0.00 C ATOM 601 C GLU A 121 -2.818 -3.086 -5.750 1.00 0.00 C ATOM 602 O GLU A 121 -3.834 -2.870 -6.381 1.00 0.00 O ATOM 603 CB GLU A 121 -3.435 -5.475 -5.357 1.00 0.00 C ATOM 604 CG GLU A 121 -4.091 -6.294 -4.240 1.00 0.00 C ATOM 605 CD GLU A 121 -4.565 -7.634 -4.803 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.432 -7.832 -6.000 1.00 0.00 O ATOM 607 OE2 GLU A 121 -5.052 -8.441 -4.028 1.00 0.00 O ATOM 0 H GLU A 121 -4.387 -4.085 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.689 -4.500 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.188 -5.158 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.716 -6.091 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.381 -6.458 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.934 -5.746 -3.819 1.00 0.00 H new ATOM 614 N ALA A 122 -1.766 -2.324 -5.884 1.00 0.00 N ATOM 615 CA ALA A 122 -1.803 -1.168 -6.823 1.00 0.00 C ATOM 616 C ALA A 122 -0.917 -1.454 -8.037 1.00 0.00 C ATOM 617 O ALA A 122 0.146 -2.032 -7.924 1.00 0.00 O ATOM 618 CB ALA A 122 -1.295 0.085 -6.107 1.00 0.00 C ATOM 0 H ALA A 122 -0.886 -2.452 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.829 -1.010 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.321 0.932 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.930 0.295 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.271 -0.078 -5.771 1.00 0.00 H new ATOM 624 N ARG A 123 -1.347 -1.044 -9.200 1.00 0.00 N ATOM 625 CA ARG A 123 -0.534 -1.281 -10.424 1.00 0.00 C ATOM 626 C ARG A 123 0.180 0.015 -10.813 1.00 0.00 C ATOM 627 O ARG A 123 -0.445 1.015 -11.107 1.00 0.00 O ATOM 628 CB ARG A 123 -1.451 -1.721 -11.568 1.00 0.00 C ATOM 629 CG ARG A 123 -0.626 -1.910 -12.842 1.00 0.00 C ATOM 630 CD ARG A 123 -1.566 -2.075 -14.037 1.00 0.00 C ATOM 631 NE ARG A 123 -0.835 -2.724 -15.161 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.497 -3.361 -16.087 1.00 0.00 C ATOM 633 NH1 ARG A 123 -2.178 -2.695 -16.979 1.00 0.00 N ATOM 634 NH2 ARG A 123 -1.478 -4.665 -16.121 1.00 0.00 N ATOM 0 H ARG A 123 -2.228 -0.554 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 123 0.202 -2.061 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.954 -2.652 -11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.228 -0.974 -11.733 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.028 -1.051 -12.996 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.015 -2.786 -12.746 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.428 -2.679 -13.754 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.947 -1.103 -14.350 1.00 0.00 H new ATOM 0 HE ARG A 123 0.183 -2.670 -15.207 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.193 -1.675 -16.952 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.695 -3.194 -17.703 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.946 -5.186 -15.424 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.995 -5.164 -16.845 1.00 0.00 H new ATOM 648 N SER A 124 1.485 0.010 -10.812 1.00 0.00 N ATOM 649 CA SER A 124 2.236 1.245 -11.176 1.00 0.00 C ATOM 650 C SER A 124 1.954 1.610 -12.635 1.00 0.00 C ATOM 651 O SER A 124 2.309 0.889 -13.546 1.00 0.00 O ATOM 652 CB SER A 124 3.734 1.003 -10.993 1.00 0.00 C ATOM 653 OG SER A 124 4.423 2.244 -11.074 1.00 0.00 O ATOM 0 H SER A 124 2.064 -0.796 -10.575 1.00 0.00 H new ATOM 0 HA SER A 124 1.917 2.064 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.923 0.531 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.100 0.320 -11.759 1.00 0.00 H new ATOM 0 HG SER A 124 5.384 2.093 -10.955 1.00 0.00 H new ATOM 659 N LEU A 125 1.321 2.728 -12.865 1.00 0.00 N ATOM 660 CA LEU A 125 1.023 3.141 -14.265 1.00 0.00 C ATOM 661 C LEU A 125 2.300 3.669 -14.923 1.00 0.00 C ATOM 662 O LEU A 125 2.318 3.990 -16.095 1.00 0.00 O ATOM 663 CB LEU A 125 -0.036 4.246 -14.257 1.00 0.00 C ATOM 664 CG LEU A 125 -1.266 3.773 -13.482 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.975 4.980 -12.864 1.00 0.00 C ATOM 666 CD2 LEU A 125 -2.222 3.053 -14.435 1.00 0.00 C ATOM 0 H LEU A 125 0.998 3.373 -12.144 1.00 0.00 H new ATOM 0 HA LEU A 125 0.651 2.283 -14.825 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.369 5.149 -13.800 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.315 4.504 -15.279 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.957 3.089 -12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.852 4.643 -12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.294 5.494 -12.186 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.285 5.664 -13.654 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.099 2.715 -13.884 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.531 3.737 -15.226 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.717 2.193 -14.876 1.00 0.00 H new ATOM 678 N THR A 126 3.368 3.765 -14.178 1.00 0.00 N ATOM 679 CA THR A 126 4.640 4.274 -14.761 1.00 0.00 C ATOM 680 C THR A 126 5.366 3.137 -15.482 1.00 0.00 C ATOM 681 O THR A 126 5.586 3.187 -16.677 1.00 0.00 O ATOM 682 CB THR A 126 5.530 4.816 -13.639 1.00 0.00 C ATOM 683 OG1 THR A 126 4.787 5.737 -12.852 1.00 0.00 O ATOM 684 CG2 THR A 126 6.745 5.519 -14.241 1.00 0.00 C ATOM 0 H THR A 126 3.413 3.513 -13.191 1.00 0.00 H new ATOM 0 HA THR A 126 4.420 5.070 -15.472 1.00 0.00 H new ATOM 0 HB THR A 126 5.868 3.991 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.331 6.031 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.377 5.904 -13.440 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.314 4.811 -14.843 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.413 6.345 -14.870 1.00 0.00 H new ATOM 692 N THR A 127 5.738 2.110 -14.769 1.00 0.00 N ATOM 693 CA THR A 127 6.448 0.970 -15.415 1.00 0.00 C ATOM 694 C THR A 127 5.443 -0.132 -15.748 1.00 0.00 C ATOM 695 O THR A 127 5.643 -0.917 -16.654 1.00 0.00 O ATOM 696 CB THR A 127 7.506 0.419 -14.456 1.00 0.00 C ATOM 697 OG1 THR A 127 6.935 0.254 -13.166 1.00 0.00 O ATOM 698 CG2 THR A 127 8.680 1.395 -14.375 1.00 0.00 C ATOM 0 H THR A 127 5.581 2.011 -13.766 1.00 0.00 H new ATOM 0 HA THR A 127 6.929 1.314 -16.331 1.00 0.00 H new ATOM 0 HB THR A 127 7.861 -0.544 -14.821 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.228 -0.600 -12.785 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.433 1.002 -13.692 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.118 1.520 -15.365 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.327 2.359 -14.010 1.00 0.00 H new ATOM 706 N GLY A 128 4.364 -0.200 -15.020 1.00 0.00 N ATOM 707 CA GLY A 128 3.346 -1.254 -15.294 1.00 0.00 C ATOM 708 C GLY A 128 3.484 -2.370 -14.260 1.00 0.00 C ATOM 709 O GLY A 128 2.579 -3.154 -14.053 1.00 0.00 O ATOM 0 H GLY A 128 4.142 0.428 -14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.344 -0.827 -15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.482 -1.655 -16.299 1.00 0.00 H new ATOM 713 N GLU A 129 4.612 -2.451 -13.609 1.00 0.00 N ATOM 714 CA GLU A 129 4.807 -3.516 -12.588 1.00 0.00 C ATOM 715 C GLU A 129 3.771 -3.352 -11.475 1.00 0.00 C ATOM 716 O GLU A 129 3.612 -2.286 -10.913 1.00 0.00 O ATOM 717 CB GLU A 129 6.215 -3.406 -12.001 1.00 0.00 C ATOM 718 CG GLU A 129 7.245 -3.505 -13.129 1.00 0.00 C ATOM 719 CD GLU A 129 8.540 -2.811 -12.703 1.00 0.00 C ATOM 720 OE1 GLU A 129 8.538 -1.593 -12.621 1.00 0.00 O ATOM 721 OE2 GLU A 129 9.514 -3.508 -12.469 1.00 0.00 O ATOM 0 H GLU A 129 5.406 -1.825 -13.741 1.00 0.00 H new ATOM 0 HA GLU A 129 4.684 -4.494 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.328 -2.459 -11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.380 -4.199 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.442 -4.551 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.853 -3.042 -14.035 1.00 0.00 H new ATOM 728 N THR A 130 3.062 -4.401 -11.154 1.00 0.00 N ATOM 729 CA THR A 130 2.033 -4.307 -10.080 1.00 0.00 C ATOM 730 C THR A 130 2.599 -4.890 -8.783 1.00 0.00 C ATOM 731 O THR A 130 3.525 -5.677 -8.796 1.00 0.00 O ATOM 732 CB THR A 130 0.791 -5.099 -10.495 1.00 0.00 C ATOM 733 OG1 THR A 130 0.507 -4.845 -11.864 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.401 -4.672 -9.637 1.00 0.00 C ATOM 0 H THR A 130 3.151 -5.319 -11.590 1.00 0.00 H new ATOM 0 HA THR A 130 1.763 -3.263 -9.923 1.00 0.00 H new ATOM 0 HB THR A 130 0.974 -6.164 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.287 -5.352 -12.133 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.284 -5.237 -9.934 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.182 -4.867 -8.587 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.587 -3.607 -9.777 1.00 0.00 H new ATOM 742 N GLY A 131 2.051 -4.510 -7.661 1.00 0.00 N ATOM 743 CA GLY A 131 2.560 -5.042 -6.365 1.00 0.00 C ATOM 744 C GLY A 131 1.642 -4.590 -5.230 1.00 0.00 C ATOM 745 O GLY A 131 0.474 -4.319 -5.434 1.00 0.00 O ATOM 0 H GLY A 131 1.273 -3.854 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.604 -6.131 -6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.575 -4.687 -6.188 1.00 0.00 H new ATOM 749 N TYR A 132 2.156 -4.506 -4.034 1.00 0.00 N ATOM 750 CA TYR A 132 1.307 -4.075 -2.888 1.00 0.00 C ATOM 751 C TYR A 132 1.916 -2.835 -2.228 1.00 0.00 C ATOM 752 O TYR A 132 3.040 -2.851 -1.769 1.00 0.00 O ATOM 753 CB TYR A 132 1.223 -5.205 -1.862 1.00 0.00 C ATOM 754 CG TYR A 132 0.714 -6.459 -2.533 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.555 -6.469 -3.124 1.00 0.00 C ATOM 756 CD2 TYR A 132 1.510 -7.608 -2.563 1.00 0.00 C ATOM 757 CE1 TYR A 132 -1.028 -7.632 -3.745 1.00 0.00 C ATOM 758 CE2 TYR A 132 1.038 -8.771 -3.184 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.232 -8.783 -3.775 1.00 0.00 C ATOM 760 OH TYR A 132 -0.699 -9.930 -4.385 1.00 0.00 O ATOM 0 H TYR A 132 3.126 -4.717 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 132 0.308 -3.836 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.205 -5.387 -1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.558 -4.921 -1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.169 -5.581 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.489 -7.599 -2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.007 -7.641 -4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.653 -9.659 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.022 -10.635 -4.318 1.00 0.00 H new ATOM 770 N ILE A 133 1.175 -1.763 -2.172 1.00 0.00 N ATOM 771 CA ILE A 133 1.698 -0.521 -1.536 1.00 0.00 C ATOM 772 C ILE A 133 0.846 -0.201 -0.304 1.00 0.00 C ATOM 773 O ILE A 133 -0.274 -0.659 -0.197 1.00 0.00 O ATOM 774 CB ILE A 133 1.616 0.636 -2.537 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.151 0.901 -2.895 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.391 0.272 -3.804 1.00 0.00 C ATOM 777 CD1 ILE A 133 0.083 1.857 -4.088 1.00 0.00 C ATOM 0 H ILE A 133 0.226 -1.693 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 133 2.737 -0.662 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 133 2.049 1.531 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.351 -0.036 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.371 1.331 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.332 1.096 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.435 0.085 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.959 -0.624 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -0.960 2.046 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.570 2.797 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.591 1.409 -4.942 1.00 0.00 H new ATOM 789 N PRO A 134 1.396 0.578 0.592 1.00 0.00 N ATOM 790 CA PRO A 134 0.688 0.966 1.823 1.00 0.00 C ATOM 791 C PRO A 134 -0.632 1.657 1.471 1.00 0.00 C ATOM 792 O PRO A 134 -0.659 2.647 0.767 1.00 0.00 O ATOM 793 CB PRO A 134 1.644 1.931 2.538 1.00 0.00 C ATOM 794 CG PRO A 134 2.920 2.060 1.668 1.00 0.00 C ATOM 795 CD PRO A 134 2.754 1.132 0.454 1.00 0.00 C ATOM 0 HA PRO A 134 0.435 0.112 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.174 2.905 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.894 1.556 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.060 3.092 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.804 1.784 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.865 1.680 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.506 0.343 0.453 1.00 0.00 H new ATOM 803 N SER A 135 -1.730 1.136 1.949 1.00 0.00 N ATOM 804 CA SER A 135 -3.051 1.753 1.638 1.00 0.00 C ATOM 805 C SER A 135 -3.133 3.139 2.281 1.00 0.00 C ATOM 806 O SER A 135 -3.720 4.052 1.735 1.00 0.00 O ATOM 807 CB SER A 135 -4.168 0.868 2.191 1.00 0.00 C ATOM 808 OG SER A 135 -4.119 0.881 3.611 1.00 0.00 O ATOM 0 H SER A 135 -1.769 0.308 2.543 1.00 0.00 H new ATOM 0 HA SER A 135 -3.162 1.848 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.137 1.228 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.057 -0.151 1.821 1.00 0.00 H new ATOM 0 HG SER A 135 -4.835 0.316 3.968 1.00 0.00 H new ATOM 814 N ASN A 136 -2.550 3.305 3.435 1.00 0.00 N ATOM 815 CA ASN A 136 -2.594 4.634 4.106 1.00 0.00 C ATOM 816 C ASN A 136 -1.616 5.587 3.415 1.00 0.00 C ATOM 817 O ASN A 136 -1.477 6.733 3.796 1.00 0.00 O ATOM 818 CB ASN A 136 -2.201 4.477 5.577 1.00 0.00 C ATOM 819 CG ASN A 136 -0.903 3.673 5.675 1.00 0.00 C ATOM 820 OD1 ASN A 136 0.038 3.927 4.947 1.00 0.00 O ATOM 821 ND2 ASN A 136 -0.812 2.708 6.547 1.00 0.00 N ATOM 0 H ASN A 136 -2.045 2.578 3.942 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.604 5.040 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.070 5.457 6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -2.996 3.972 6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 136 0.049 2.165 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -1.601 2.496 7.157 1.00 0.00 H new ATOM 828 N TYR A 137 -0.935 5.125 2.401 1.00 0.00 N ATOM 829 CA TYR A 137 0.032 6.003 1.687 1.00 0.00 C ATOM 830 C TYR A 137 -0.575 6.455 0.356 1.00 0.00 C ATOM 831 O TYR A 137 0.030 7.198 -0.390 1.00 0.00 O ATOM 832 CB TYR A 137 1.323 5.225 1.416 1.00 0.00 C ATOM 833 CG TYR A 137 2.268 5.385 2.584 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.765 5.674 3.858 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.647 5.242 2.392 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.642 5.820 4.940 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.524 5.388 3.474 1.00 0.00 C ATOM 838 CZ TYR A 137 4.020 5.678 4.749 1.00 0.00 C ATOM 839 OH TYR A 137 4.884 5.821 5.815 1.00 0.00 O ATOM 0 H TYR A 137 -1.008 4.175 2.037 1.00 0.00 H new ATOM 0 HA TYR A 137 0.253 6.875 2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.097 4.170 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.793 5.589 0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.701 5.784 4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.035 5.019 1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.254 6.042 5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.588 5.277 3.326 1.00 0.00 H new ATOM 0 HH TYR A 137 5.806 5.690 5.509 1.00 0.00 H new ATOM 849 N VAL A 138 -1.762 6.007 0.047 1.00 0.00 N ATOM 850 CA VAL A 138 -2.392 6.412 -1.241 1.00 0.00 C ATOM 851 C VAL A 138 -3.761 7.043 -0.976 1.00 0.00 C ATOM 852 O VAL A 138 -4.426 6.730 -0.008 1.00 0.00 O ATOM 853 CB VAL A 138 -2.565 5.183 -2.132 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.232 4.853 -2.805 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.013 3.994 -1.278 1.00 0.00 C ATOM 0 H VAL A 138 -2.320 5.381 0.628 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.751 7.140 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.317 5.387 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.353 3.976 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.911 5.700 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.481 4.647 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.137 3.116 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.260 3.788 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.962 4.230 -0.795 1.00 0.00 H new ATOM 865 N ALA A 139 -4.187 7.930 -1.835 1.00 0.00 N ATOM 866 CA ALA A 139 -5.513 8.583 -1.644 1.00 0.00 C ATOM 867 C ALA A 139 -6.231 8.677 -2.995 1.00 0.00 C ATOM 868 O ALA A 139 -5.597 8.806 -4.023 1.00 0.00 O ATOM 869 CB ALA A 139 -5.314 9.987 -1.070 1.00 0.00 C ATOM 0 H ALA A 139 -3.672 8.231 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.114 7.993 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.284 10.464 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.802 9.918 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.714 10.580 -1.760 1.00 0.00 H new ATOM 875 N PRO A 140 -7.538 8.605 -2.949 1.00 0.00 N ATOM 876 CA PRO A 140 -8.372 8.675 -4.164 1.00 0.00 C ATOM 877 C PRO A 140 -8.168 10.015 -4.878 1.00 0.00 C ATOM 878 O PRO A 140 -8.052 11.051 -4.254 1.00 0.00 O ATOM 879 CB PRO A 140 -9.815 8.547 -3.656 1.00 0.00 C ATOM 880 CG PRO A 140 -9.762 8.403 -2.113 1.00 0.00 C ATOM 881 CD PRO A 140 -8.286 8.451 -1.690 1.00 0.00 C ATOM 0 HA PRO A 140 -8.119 7.897 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.399 9.423 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.303 7.681 -4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.323 9.206 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.219 7.464 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.096 9.283 -1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.995 7.541 -1.166 1.00 0.00 H new ATOM 889 N VAL A 141 -8.126 10.000 -6.182 1.00 0.00 N ATOM 890 CA VAL A 141 -7.935 11.270 -6.939 1.00 0.00 C ATOM 891 C VAL A 141 -9.272 12.004 -7.047 1.00 0.00 C ATOM 892 O VAL A 141 -9.686 12.589 -6.060 1.00 0.00 O ATOM 893 CB VAL A 141 -7.414 10.951 -8.341 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.305 9.891 -8.989 1.00 0.00 C ATOM 895 CG2 VAL A 141 -7.436 12.223 -9.193 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.859 11.969 -8.116 1.00 0.00 O ATOM 0 H VAL A 141 -8.216 9.162 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.215 11.901 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.393 10.574 -8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.933 9.664 -9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.292 8.985 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.326 10.267 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -7.065 11.998 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -8.457 12.598 -9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.801 12.980 -8.733 1.00 0.00 H new TER 906 VAL A 141