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 Set 1.1: A 135 SER OG : rot 180:sc= -0.0154 USER MOD Set 1.2: A 136 ASN : amide:sc= -0.0934 K(o=-0.11,f=-0.85) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 66:sc= 0.944 USER MOD Single : A 97 THR OG1 : rot 150:sc= -0.717 USER MOD Single : A 102 SER OG : rot 180:sc= -0.512 USER MOD Single : A 104 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-0.74) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.514 K(o=-0.51,f=-3.1!) USER MOD Single : A 113 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.018) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -49:sc= 0.0238 USER MOD Single : A 124 SER OG : rot -8:sc= 0.427 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot -138:sc= 0.19 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -13.474 6.215 -12.760 1.00 0.00 N ATOM 2 CA VAL A 84 -11.987 6.254 -12.668 1.00 0.00 C ATOM 3 C VAL A 84 -11.560 6.044 -11.214 1.00 0.00 C ATOM 4 O VAL A 84 -12.196 6.523 -10.296 1.00 0.00 O ATOM 5 CB VAL A 84 -11.482 7.612 -13.158 1.00 0.00 C ATOM 6 CG1 VAL A 84 -11.908 7.822 -14.613 1.00 0.00 C ATOM 7 CG2 VAL A 84 -12.079 8.720 -12.289 1.00 0.00 C ATOM 0 HA VAL A 84 -11.563 5.464 -13.288 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.394 7.641 -13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.548 8.790 -14.961 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.485 7.032 -15.234 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.995 7.793 -14.681 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.720 9.689 -12.637 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.166 8.690 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.777 8.572 -11.252 1.00 0.00 H new ATOM 19 N THR A 85 -10.487 5.332 -10.997 1.00 0.00 N ATOM 20 CA THR A 85 -10.021 5.094 -9.603 1.00 0.00 C ATOM 21 C THR A 85 -8.493 5.157 -9.560 1.00 0.00 C ATOM 22 O THR A 85 -7.825 4.160 -9.371 1.00 0.00 O ATOM 23 CB THR A 85 -10.487 3.713 -9.136 1.00 0.00 C ATOM 24 OG1 THR A 85 -11.237 3.093 -10.173 1.00 0.00 O ATOM 25 CG2 THR A 85 -11.361 3.862 -7.890 1.00 0.00 C ATOM 0 H THR A 85 -9.914 4.906 -11.725 1.00 0.00 H new ATOM 0 HA THR A 85 -10.436 5.858 -8.946 1.00 0.00 H new ATOM 0 HB THR A 85 -9.620 3.098 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.535 2.208 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.692 2.878 -7.558 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.785 4.338 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.230 4.477 -8.126 1.00 0.00 H new ATOM 33 N LEU A 86 -7.933 6.323 -9.734 1.00 0.00 N ATOM 34 CA LEU A 86 -6.449 6.449 -9.703 1.00 0.00 C ATOM 35 C LEU A 86 -6.017 7.073 -8.373 1.00 0.00 C ATOM 36 O LEU A 86 -6.422 8.167 -8.031 1.00 0.00 O ATOM 37 CB LEU A 86 -5.988 7.339 -10.858 1.00 0.00 C ATOM 38 CG LEU A 86 -5.205 6.500 -11.871 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.183 5.780 -12.803 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.298 7.415 -12.696 1.00 0.00 C ATOM 0 H LEU A 86 -8.439 7.193 -9.896 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.999 5.462 -9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.849 7.801 -11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.363 8.148 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.599 5.765 -11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.625 5.183 -13.524 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.832 5.129 -12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.789 6.515 -13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.740 6.819 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.906 8.149 -13.225 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.601 7.930 -12.034 1.00 0.00 H new ATOM 52 N PHE A 87 -5.201 6.387 -7.620 1.00 0.00 N ATOM 53 CA PHE A 87 -4.747 6.942 -6.313 1.00 0.00 C ATOM 54 C PHE A 87 -3.345 7.537 -6.468 1.00 0.00 C ATOM 55 O PHE A 87 -2.711 7.399 -7.496 1.00 0.00 O ATOM 56 CB PHE A 87 -4.711 5.825 -5.268 1.00 0.00 C ATOM 57 CG PHE A 87 -6.119 5.470 -4.857 1.00 0.00 C ATOM 58 CD1 PHE A 87 -6.965 4.805 -5.753 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.579 5.805 -3.577 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.270 4.476 -5.370 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.885 5.476 -3.195 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.730 4.811 -4.091 1.00 0.00 C ATOM 0 H PHE A 87 -4.829 5.466 -7.853 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.439 7.720 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.208 4.948 -5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.137 6.145 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.610 4.546 -6.740 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.926 6.317 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.923 3.963 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.241 5.735 -2.209 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.737 4.556 -3.796 1.00 0.00 H new ATOM 72 N VAL A 88 -2.854 8.193 -5.452 1.00 0.00 N ATOM 73 CA VAL A 88 -1.492 8.793 -5.537 1.00 0.00 C ATOM 74 C VAL A 88 -0.778 8.613 -4.197 1.00 0.00 C ATOM 75 O VAL A 88 -1.399 8.554 -3.155 1.00 0.00 O ATOM 76 CB VAL A 88 -1.603 10.285 -5.855 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.364 10.734 -6.631 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.853 10.541 -6.702 1.00 0.00 C ATOM 0 H VAL A 88 -3.338 8.339 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.927 8.298 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.676 10.847 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.442 11.797 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.527 10.556 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.292 10.169 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.929 11.605 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.784 9.978 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.738 10.223 -6.150 1.00 0.00 H new ATOM 88 N ALA A 89 0.524 8.525 -4.214 1.00 0.00 N ATOM 89 CA ALA A 89 1.275 8.349 -2.940 1.00 0.00 C ATOM 90 C ALA A 89 1.422 9.702 -2.242 1.00 0.00 C ATOM 91 O ALA A 89 2.049 10.610 -2.752 1.00 0.00 O ATOM 92 CB ALA A 89 2.660 7.772 -3.238 1.00 0.00 C ATOM 0 H ALA A 89 1.099 8.567 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 89 0.731 7.664 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.209 7.643 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.553 6.806 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.206 8.454 -3.889 1.00 0.00 H new ATOM 98 N LEU A 90 0.847 9.845 -1.081 1.00 0.00 N ATOM 99 CA LEU A 90 0.950 11.141 -0.351 1.00 0.00 C ATOM 100 C LEU A 90 2.338 11.265 0.283 1.00 0.00 C ATOM 101 O LEU A 90 2.715 12.310 0.775 1.00 0.00 O ATOM 102 CB LEU A 90 -0.113 11.195 0.750 1.00 0.00 C ATOM 103 CG LEU A 90 -1.454 10.714 0.194 1.00 0.00 C ATOM 104 CD1 LEU A 90 -2.108 9.759 1.193 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.370 11.920 -0.033 1.00 0.00 C ATOM 0 H LEU A 90 0.310 9.121 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 90 0.794 11.961 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.188 10.570 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.209 12.213 1.127 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.292 10.195 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.064 9.416 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.455 8.902 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.272 10.277 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.327 11.581 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.532 12.437 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.904 12.602 -0.744 1.00 0.00 H new ATOM 117 N TYR A 91 3.101 10.206 0.280 1.00 0.00 N ATOM 118 CA TYR A 91 4.461 10.269 0.889 1.00 0.00 C ATOM 119 C TYR A 91 5.426 9.406 0.074 1.00 0.00 C ATOM 120 O TYR A 91 5.143 9.025 -1.044 1.00 0.00 O ATOM 121 CB TYR A 91 4.400 9.746 2.325 1.00 0.00 C ATOM 122 CG TYR A 91 3.195 10.330 3.023 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.139 11.703 3.291 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.135 9.499 3.403 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.022 12.245 3.938 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.018 10.040 4.050 1.00 0.00 C ATOM 127 CZ TYR A 91 0.961 11.414 4.317 1.00 0.00 C ATOM 128 OH TYR A 91 -0.140 11.948 4.955 1.00 0.00 O ATOM 0 H TYR A 91 2.843 9.302 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 91 4.810 11.301 0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.341 8.658 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.310 10.016 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.958 12.344 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.179 8.440 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.979 13.304 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.200 9.398 4.343 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.784 11.235 5.147 1.00 0.00 H new ATOM 138 N ASP A 92 6.566 9.093 0.628 1.00 0.00 N ATOM 139 CA ASP A 92 7.550 8.255 -0.110 1.00 0.00 C ATOM 140 C ASP A 92 7.485 6.819 0.412 1.00 0.00 C ATOM 141 O ASP A 92 7.245 6.584 1.580 1.00 0.00 O ATOM 142 CB ASP A 92 8.959 8.814 0.104 1.00 0.00 C ATOM 143 CG ASP A 92 9.870 8.348 -1.032 1.00 0.00 C ATOM 144 OD1 ASP A 92 9.849 7.166 -1.336 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.574 9.180 -1.580 1.00 0.00 O ATOM 0 H ASP A 92 6.857 9.383 1.562 1.00 0.00 H new ATOM 0 HA ASP A 92 7.314 8.267 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.929 9.903 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.354 8.477 1.063 1.00 0.00 H new ATOM 150 N TYR A 93 7.692 5.855 -0.442 1.00 0.00 N ATOM 151 CA TYR A 93 7.637 4.436 0.011 1.00 0.00 C ATOM 152 C TYR A 93 8.847 3.670 -0.529 1.00 0.00 C ATOM 153 O TYR A 93 9.266 3.861 -1.653 1.00 0.00 O ATOM 154 CB TYR A 93 6.352 3.787 -0.506 1.00 0.00 C ATOM 155 CG TYR A 93 6.261 2.374 0.014 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.160 2.140 1.391 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.278 1.296 -0.879 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.077 0.829 1.875 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.194 -0.015 -0.396 1.00 0.00 C ATOM 160 CZ TYR A 93 6.095 -0.248 0.982 1.00 0.00 C ATOM 161 OH TYR A 93 6.013 -1.541 1.459 1.00 0.00 O ATOM 0 H TYR A 93 7.897 5.988 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 93 7.651 4.406 1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.485 4.362 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.345 3.786 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.146 2.972 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.356 1.476 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.999 0.649 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.205 -0.846 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 93 5.136 -1.682 1.874 1.00 0.00 H new ATOM 171 N GLU A 94 9.409 2.800 0.267 1.00 0.00 N ATOM 172 CA GLU A 94 10.590 2.014 -0.195 1.00 0.00 C ATOM 173 C GLU A 94 10.503 0.593 0.364 1.00 0.00 C ATOM 174 O GLU A 94 11.206 0.233 1.288 1.00 0.00 O ATOM 175 CB GLU A 94 11.873 2.681 0.304 1.00 0.00 C ATOM 176 CG GLU A 94 11.693 3.099 1.763 1.00 0.00 C ATOM 177 CD GLU A 94 10.937 4.426 1.825 1.00 0.00 C ATOM 178 OE1 GLU A 94 10.981 5.156 0.848 1.00 0.00 O ATOM 179 OE2 GLU A 94 10.327 4.692 2.847 1.00 0.00 O ATOM 0 H GLU A 94 9.101 2.599 1.218 1.00 0.00 H new ATOM 0 HA GLU A 94 10.601 1.977 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.713 1.993 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.106 3.552 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.144 2.330 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.665 3.199 2.246 1.00 0.00 H new ATOM 186 N ALA A 95 9.639 -0.215 -0.185 1.00 0.00 N ATOM 187 CA ALA A 95 9.495 -1.611 0.314 1.00 0.00 C ATOM 188 C ALA A 95 10.804 -2.375 0.114 1.00 0.00 C ATOM 189 O ALA A 95 11.387 -2.363 -0.953 1.00 0.00 O ATOM 190 CB ALA A 95 8.376 -2.313 -0.455 1.00 0.00 C ATOM 0 H ALA A 95 9.024 0.033 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 95 9.253 -1.587 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.270 -3.335 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.440 -1.775 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.620 -2.330 -1.517 1.00 0.00 H new ATOM 196 N ARG A 96 11.266 -3.050 1.131 1.00 0.00 N ATOM 197 CA ARG A 96 12.531 -3.825 1.000 1.00 0.00 C ATOM 198 C ARG A 96 12.212 -5.221 0.458 1.00 0.00 C ATOM 199 O ARG A 96 13.076 -6.069 0.351 1.00 0.00 O ATOM 200 CB ARG A 96 13.196 -3.952 2.371 1.00 0.00 C ATOM 201 CG ARG A 96 14.715 -3.867 2.211 1.00 0.00 C ATOM 202 CD ARG A 96 15.199 -2.494 2.681 1.00 0.00 C ATOM 203 NE ARG A 96 14.615 -2.193 4.018 1.00 0.00 N ATOM 204 CZ ARG A 96 15.140 -2.715 5.092 1.00 0.00 C ATOM 205 NH1 ARG A 96 16.407 -2.540 5.352 1.00 0.00 N ATOM 206 NH2 ARG A 96 14.399 -3.414 5.908 1.00 0.00 N ATOM 0 H ARG A 96 10.821 -3.098 2.048 1.00 0.00 H new ATOM 0 HA ARG A 96 13.206 -3.311 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.844 -3.160 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.921 -4.900 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.198 -4.653 2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.991 -4.025 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.288 -2.479 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.906 -1.728 1.963 1.00 0.00 H new ATOM 0 HE ARG A 96 13.804 -1.579 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.988 -1.995 4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.816 -2.949 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.409 -3.552 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.810 -3.822 6.748 1.00 0.00 H new ATOM 220 N THR A 97 10.976 -5.467 0.115 1.00 0.00 N ATOM 221 CA THR A 97 10.603 -6.807 -0.418 1.00 0.00 C ATOM 222 C THR A 97 10.177 -6.670 -1.881 1.00 0.00 C ATOM 223 O THR A 97 10.024 -5.579 -2.393 1.00 0.00 O ATOM 224 CB THR A 97 9.442 -7.379 0.400 1.00 0.00 C ATOM 225 OG1 THR A 97 8.859 -8.465 -0.307 1.00 0.00 O ATOM 226 CG2 THR A 97 8.391 -6.291 0.628 1.00 0.00 C ATOM 0 H THR A 97 10.209 -4.797 0.181 1.00 0.00 H new ATOM 0 HA THR A 97 11.460 -7.478 -0.348 1.00 0.00 H new ATOM 0 HB THR A 97 9.812 -7.729 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.489 -9.110 0.331 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.565 -6.699 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.840 -5.459 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.018 -5.939 -0.334 1.00 0.00 H new ATOM 234 N GLU A 98 9.983 -7.769 -2.557 1.00 0.00 N ATOM 235 CA GLU A 98 9.565 -7.701 -3.986 1.00 0.00 C ATOM 236 C GLU A 98 8.039 -7.761 -4.075 1.00 0.00 C ATOM 237 O GLU A 98 7.451 -7.380 -5.067 1.00 0.00 O ATOM 238 CB GLU A 98 10.165 -8.882 -4.750 1.00 0.00 C ATOM 239 CG GLU A 98 9.625 -10.190 -4.170 1.00 0.00 C ATOM 240 CD GLU A 98 9.439 -11.210 -5.294 1.00 0.00 C ATOM 241 OE1 GLU A 98 10.370 -11.393 -6.060 1.00 0.00 O ATOM 242 OE2 GLU A 98 8.369 -11.791 -5.371 1.00 0.00 O ATOM 0 H GLU A 98 10.096 -8.711 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 98 9.919 -6.767 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.914 -8.810 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.252 -8.861 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.315 -10.580 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.675 -10.012 -3.666 1.00 0.00 H new ATOM 249 N ASP A 99 7.393 -8.239 -3.047 1.00 0.00 N ATOM 250 CA ASP A 99 5.905 -8.325 -3.077 1.00 0.00 C ATOM 251 C ASP A 99 5.311 -6.914 -3.088 1.00 0.00 C ATOM 252 O ASP A 99 4.127 -6.730 -3.289 1.00 0.00 O ATOM 253 CB ASP A 99 5.412 -9.077 -1.840 1.00 0.00 C ATOM 254 CG ASP A 99 5.969 -8.409 -0.581 1.00 0.00 C ATOM 255 OD1 ASP A 99 6.405 -7.274 -0.680 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.952 -9.045 0.460 1.00 0.00 O ATOM 0 H ASP A 99 7.830 -8.573 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 99 5.591 -8.858 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.322 -9.078 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.731 -10.118 -1.883 1.00 0.00 H new ATOM 261 N ASP A 100 6.124 -5.916 -2.876 1.00 0.00 N ATOM 262 CA ASP A 100 5.606 -4.519 -2.876 1.00 0.00 C ATOM 263 C ASP A 100 5.960 -3.844 -4.203 1.00 0.00 C ATOM 264 O ASP A 100 6.433 -4.477 -5.125 1.00 0.00 O ATOM 265 CB ASP A 100 6.238 -3.741 -1.720 1.00 0.00 C ATOM 266 CG ASP A 100 5.527 -4.101 -0.414 1.00 0.00 C ATOM 267 OD1 ASP A 100 5.948 -5.053 0.224 1.00 0.00 O ATOM 268 OD2 ASP A 100 4.575 -3.419 -0.075 1.00 0.00 O ATOM 0 H ASP A 100 7.125 -6.008 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 100 4.523 -4.532 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.299 -3.977 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.162 -2.669 -1.904 1.00 0.00 H new ATOM 273 N LEU A 101 5.733 -2.563 -4.308 1.00 0.00 N ATOM 274 CA LEU A 101 6.053 -1.854 -5.578 1.00 0.00 C ATOM 275 C LEU A 101 7.162 -0.829 -5.334 1.00 0.00 C ATOM 276 O LEU A 101 8.108 -0.734 -6.091 1.00 0.00 O ATOM 277 CB LEU A 101 4.800 -1.138 -6.086 1.00 0.00 C ATOM 278 CG LEU A 101 3.744 -2.180 -6.452 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.367 -1.518 -6.517 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.083 -2.787 -7.815 1.00 0.00 C ATOM 0 H LEU A 101 5.340 -1.978 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 101 6.390 -2.577 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.415 -0.465 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.042 -0.527 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 101 3.731 -2.964 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.617 -2.264 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.125 -1.085 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.376 -0.733 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.331 -3.531 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.097 -2.001 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.063 -3.262 -7.768 1.00 0.00 H new ATOM 292 N SER A 102 7.051 -0.059 -4.287 1.00 0.00 N ATOM 293 CA SER A 102 8.097 0.962 -3.998 1.00 0.00 C ATOM 294 C SER A 102 7.903 2.159 -4.931 1.00 0.00 C ATOM 295 O SER A 102 7.621 2.004 -6.103 1.00 0.00 O ATOM 296 CB SER A 102 9.483 0.357 -4.223 1.00 0.00 C ATOM 297 OG SER A 102 10.431 1.041 -3.414 1.00 0.00 O ATOM 0 H SER A 102 6.281 -0.093 -3.619 1.00 0.00 H new ATOM 0 HA SER A 102 8.012 1.288 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.474 -0.704 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.761 0.436 -5.274 1.00 0.00 H new ATOM 0 HG SER A 102 11.320 0.654 -3.555 1.00 0.00 H new ATOM 303 N PHE A 103 8.047 3.352 -4.421 1.00 0.00 N ATOM 304 CA PHE A 103 7.864 4.554 -5.282 1.00 0.00 C ATOM 305 C PHE A 103 8.146 5.816 -4.467 1.00 0.00 C ATOM 306 O PHE A 103 8.599 5.752 -3.341 1.00 0.00 O ATOM 307 CB PHE A 103 6.422 4.593 -5.791 1.00 0.00 C ATOM 308 CG PHE A 103 5.483 4.327 -4.642 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.016 5.391 -3.859 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.080 3.018 -4.354 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.146 5.145 -2.791 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.211 2.772 -3.286 1.00 0.00 C ATOM 313 CZ PHE A 103 3.743 3.835 -2.504 1.00 0.00 C ATOM 0 H PHE A 103 8.283 3.546 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 103 8.553 4.506 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.207 5.565 -6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.279 3.847 -6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.328 6.401 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.440 2.197 -4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.785 5.965 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.901 1.762 -3.064 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.071 3.645 -1.680 1.00 0.00 H new ATOM 323 N HIS A 104 7.877 6.964 -5.024 1.00 0.00 N ATOM 324 CA HIS A 104 8.125 8.233 -4.283 1.00 0.00 C ATOM 325 C HIS A 104 6.850 9.079 -4.293 1.00 0.00 C ATOM 326 O HIS A 104 6.033 8.973 -5.186 1.00 0.00 O ATOM 327 CB HIS A 104 9.259 9.006 -4.959 1.00 0.00 C ATOM 328 CG HIS A 104 10.525 8.195 -4.899 1.00 0.00 C ATOM 329 ND1 HIS A 104 11.660 8.646 -4.243 1.00 0.00 N ATOM 330 CD2 HIS A 104 10.849 6.961 -5.406 1.00 0.00 C ATOM 331 CE1 HIS A 104 12.605 7.696 -4.372 1.00 0.00 C ATOM 332 NE2 HIS A 104 12.163 6.648 -5.073 1.00 0.00 N ATOM 0 H HIS A 104 7.495 7.079 -5.963 1.00 0.00 H new ATOM 0 HA HIS A 104 8.406 8.008 -3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.000 9.219 -5.996 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.405 9.966 -4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.185 6.329 -5.977 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.600 7.772 -3.959 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.678 5.801 -5.312 1.00 0.00 H new ATOM 340 N LYS A 105 6.672 9.917 -3.310 1.00 0.00 N ATOM 341 CA LYS A 105 5.448 10.766 -3.268 1.00 0.00 C ATOM 342 C LYS A 105 5.233 11.419 -4.635 1.00 0.00 C ATOM 343 O LYS A 105 6.127 12.024 -5.193 1.00 0.00 O ATOM 344 CB LYS A 105 5.618 11.852 -2.204 1.00 0.00 C ATOM 345 CG LYS A 105 4.421 12.805 -2.251 1.00 0.00 C ATOM 346 CD LYS A 105 4.695 14.012 -1.351 1.00 0.00 C ATOM 347 CE LYS A 105 4.226 15.288 -2.052 1.00 0.00 C ATOM 348 NZ LYS A 105 4.260 16.425 -1.089 1.00 0.00 N ATOM 0 H LYS A 105 7.321 10.051 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 105 4.585 10.148 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.697 11.399 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.542 12.403 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.244 13.134 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.519 12.290 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.176 13.895 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.760 14.078 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.867 15.502 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.215 15.154 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.941 17.293 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.631 16.219 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.232 16.557 -0.742 1.00 0.00 H new ATOM 362 N GLY A 106 4.051 11.306 -5.179 1.00 0.00 N ATOM 363 CA GLY A 106 3.779 11.924 -6.507 1.00 0.00 C ATOM 364 C GLY A 106 3.486 10.829 -7.537 1.00 0.00 C ATOM 365 O GLY A 106 3.009 11.097 -8.622 1.00 0.00 O ATOM 0 H GLY A 106 3.263 10.812 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.931 12.605 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.637 12.516 -6.826 1.00 0.00 H new ATOM 369 N GLU A 107 3.767 9.599 -7.207 1.00 0.00 N ATOM 370 CA GLU A 107 3.503 8.491 -8.170 1.00 0.00 C ATOM 371 C GLU A 107 2.025 8.099 -8.107 1.00 0.00 C ATOM 372 O GLU A 107 1.380 8.240 -7.089 1.00 0.00 O ATOM 373 CB GLU A 107 4.369 7.283 -7.804 1.00 0.00 C ATOM 374 CG GLU A 107 4.560 6.398 -9.037 1.00 0.00 C ATOM 375 CD GLU A 107 5.844 5.580 -8.885 1.00 0.00 C ATOM 376 OE1 GLU A 107 6.847 6.155 -8.498 1.00 0.00 O ATOM 377 OE2 GLU A 107 5.801 4.391 -9.158 1.00 0.00 O ATOM 0 H GLU A 107 4.167 9.312 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 107 3.746 8.821 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.337 7.616 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.897 6.713 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.705 5.733 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.613 7.014 -9.935 1.00 0.00 H new ATOM 384 N LYS A 108 1.482 7.608 -9.188 1.00 0.00 N ATOM 385 CA LYS A 108 0.045 7.212 -9.185 1.00 0.00 C ATOM 386 C LYS A 108 -0.073 5.711 -9.461 1.00 0.00 C ATOM 387 O LYS A 108 0.757 5.125 -10.127 1.00 0.00 O ATOM 388 CB LYS A 108 -0.708 7.990 -10.268 1.00 0.00 C ATOM 389 CG LYS A 108 0.239 8.315 -11.426 1.00 0.00 C ATOM 390 CD LYS A 108 1.059 9.559 -11.082 1.00 0.00 C ATOM 391 CE LYS A 108 0.649 10.711 -12.000 1.00 0.00 C ATOM 392 NZ LYS A 108 1.560 11.870 -11.782 1.00 0.00 N ATOM 0 H LYS A 108 1.971 7.464 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.388 7.439 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.552 7.403 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.116 8.910 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.902 7.471 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.331 8.484 -12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.899 9.836 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.123 9.350 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.691 10.393 -13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.382 11.002 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.281 12.653 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.498 12.179 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.538 11.588 -11.996 1.00 0.00 H new ATOM 406 N PHE A 109 -1.100 5.083 -8.952 1.00 0.00 N ATOM 407 CA PHE A 109 -1.270 3.621 -9.184 1.00 0.00 C ATOM 408 C PHE A 109 -2.751 3.303 -9.405 1.00 0.00 C ATOM 409 O PHE A 109 -3.614 4.133 -9.200 1.00 0.00 O ATOM 410 CB PHE A 109 -0.778 2.846 -7.959 1.00 0.00 C ATOM 411 CG PHE A 109 0.617 3.291 -7.590 1.00 0.00 C ATOM 412 CD1 PHE A 109 0.825 4.562 -7.041 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.700 2.427 -7.787 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.118 4.969 -6.690 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.992 2.834 -7.435 1.00 0.00 C ATOM 416 CZ PHE A 109 3.201 4.104 -6.887 1.00 0.00 C ATOM 0 H PHE A 109 -1.827 5.520 -8.386 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.694 3.332 -10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.454 3.009 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.783 1.776 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.011 5.228 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.539 1.447 -8.210 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.280 5.950 -6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.828 2.167 -7.587 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.198 4.417 -6.616 1.00 0.00 H new ATOM 426 N GLN A 110 -3.048 2.098 -9.810 1.00 0.00 N ATOM 427 CA GLN A 110 -4.470 1.712 -10.031 1.00 0.00 C ATOM 428 C GLN A 110 -4.866 0.668 -8.984 1.00 0.00 C ATOM 429 O GLN A 110 -4.564 -0.501 -9.113 1.00 0.00 O ATOM 430 CB GLN A 110 -4.628 1.118 -11.434 1.00 0.00 C ATOM 431 CG GLN A 110 -4.655 2.248 -12.467 1.00 0.00 C ATOM 432 CD GLN A 110 -5.568 1.855 -13.630 1.00 0.00 C ATOM 433 OE1 GLN A 110 -6.159 0.793 -13.621 1.00 0.00 O ATOM 434 NE2 GLN A 110 -5.711 2.671 -14.638 1.00 0.00 N ATOM 0 H GLN A 110 -2.366 1.363 -9.998 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.111 2.589 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.805 0.436 -11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.547 0.535 -11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.012 3.169 -12.005 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.647 2.445 -12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.216 3.563 -14.647 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.318 2.417 -15.417 1.00 0.00 H new ATOM 443 N ILE A 111 -5.525 1.084 -7.936 1.00 0.00 N ATOM 444 CA ILE A 111 -5.922 0.120 -6.871 1.00 0.00 C ATOM 445 C ILE A 111 -6.978 -0.853 -7.402 1.00 0.00 C ATOM 446 O ILE A 111 -8.108 -0.484 -7.653 1.00 0.00 O ATOM 447 CB ILE A 111 -6.499 0.885 -5.677 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.428 1.812 -5.098 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.942 -0.109 -4.602 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.215 0.986 -4.670 1.00 0.00 C ATOM 0 H ILE A 111 -5.806 2.051 -7.772 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.041 -0.442 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.354 1.476 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.133 2.553 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.828 2.359 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.353 0.434 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.704 -0.772 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.085 -0.699 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.452 1.646 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.516 0.262 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.810 0.459 -5.534 1.00 0.00 H new ATOM 462 N LEU A 112 -6.623 -2.100 -7.555 1.00 0.00 N ATOM 463 CA LEU A 112 -7.609 -3.105 -8.048 1.00 0.00 C ATOM 464 C LEU A 112 -8.197 -3.840 -6.845 1.00 0.00 C ATOM 465 O LEU A 112 -9.385 -4.084 -6.767 1.00 0.00 O ATOM 466 CB LEU A 112 -6.909 -4.110 -8.967 1.00 0.00 C ATOM 467 CG LEU A 112 -5.767 -3.417 -9.711 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.187 -4.371 -10.757 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.300 -2.161 -10.404 1.00 0.00 C ATOM 0 H LEU A 112 -5.692 -2.467 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.400 -2.605 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.522 -4.944 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.622 -4.524 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.987 -3.138 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.373 -3.878 -11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.808 -5.266 -10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.966 -4.650 -11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.487 -1.666 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.080 -2.440 -11.113 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.713 -1.482 -9.658 1.00 0.00 H new ATOM 481 N ASN A 113 -7.367 -4.181 -5.900 1.00 0.00 N ATOM 482 CA ASN A 113 -7.856 -4.887 -4.684 1.00 0.00 C ATOM 483 C ASN A 113 -7.538 -4.029 -3.460 1.00 0.00 C ATOM 484 O ASN A 113 -6.465 -3.470 -3.349 1.00 0.00 O ATOM 485 CB ASN A 113 -7.153 -6.241 -4.559 1.00 0.00 C ATOM 486 CG ASN A 113 -8.072 -7.231 -3.840 1.00 0.00 C ATOM 487 OD1 ASN A 113 -7.712 -7.778 -2.816 1.00 0.00 O ATOM 488 ND2 ASN A 113 -9.252 -7.486 -4.336 1.00 0.00 N ATOM 0 H ASN A 113 -6.363 -3.999 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.931 -5.050 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.895 -6.621 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.220 -6.128 -4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.872 -8.144 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.554 -7.027 -5.195 1.00 0.00 H new ATOM 495 N SER A 114 -8.457 -3.905 -2.544 1.00 0.00 N ATOM 496 CA SER A 114 -8.189 -3.065 -1.344 1.00 0.00 C ATOM 497 C SER A 114 -8.674 -3.779 -0.084 1.00 0.00 C ATOM 498 O SER A 114 -7.895 -4.323 0.674 1.00 0.00 O ATOM 499 CB SER A 114 -8.923 -1.733 -1.485 1.00 0.00 C ATOM 500 OG SER A 114 -9.749 -1.772 -2.643 1.00 0.00 O ATOM 0 H SER A 114 -9.376 -4.346 -2.573 1.00 0.00 H new ATOM 0 HA SER A 114 -7.116 -2.890 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.528 -1.542 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.206 -0.916 -1.563 1.00 0.00 H new ATOM 0 HG SER A 114 -10.223 -0.919 -2.736 1.00 0.00 H new ATOM 506 N SER A 115 -9.954 -3.770 0.152 1.00 0.00 N ATOM 507 CA SER A 115 -10.489 -4.434 1.370 1.00 0.00 C ATOM 508 C SER A 115 -10.193 -3.558 2.590 1.00 0.00 C ATOM 509 O SER A 115 -10.462 -3.934 3.714 1.00 0.00 O ATOM 510 CB SER A 115 -9.818 -5.796 1.544 1.00 0.00 C ATOM 511 OG SER A 115 -10.642 -6.627 2.350 1.00 0.00 O ATOM 0 H SER A 115 -10.654 -3.331 -0.447 1.00 0.00 H new ATOM 0 HA SER A 115 -11.566 -4.572 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.654 -6.260 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.839 -5.675 2.008 1.00 0.00 H new ATOM 0 HG SER A 115 -10.915 -6.137 3.153 1.00 0.00 H new ATOM 517 N GLU A 116 -9.641 -2.393 2.376 1.00 0.00 N ATOM 518 CA GLU A 116 -9.326 -1.490 3.519 1.00 0.00 C ATOM 519 C GLU A 116 -8.675 -2.298 4.644 1.00 0.00 C ATOM 520 O GLU A 116 -9.345 -2.895 5.463 1.00 0.00 O ATOM 521 CB GLU A 116 -10.615 -0.845 4.029 1.00 0.00 C ATOM 522 CG GLU A 116 -10.496 0.677 3.933 1.00 0.00 C ATOM 523 CD GLU A 116 -10.931 1.309 5.257 1.00 0.00 C ATOM 524 OE1 GLU A 116 -10.658 0.721 6.290 1.00 0.00 O ATOM 525 OE2 GLU A 116 -11.528 2.372 5.215 1.00 0.00 O ATOM 0 H GLU A 116 -9.394 -2.028 1.456 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.638 -0.711 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.465 -1.192 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.799 -1.142 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.468 0.958 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.117 1.050 3.119 1.00 0.00 H new ATOM 532 N GLY A 117 -7.371 -2.320 4.691 1.00 0.00 N ATOM 533 CA GLY A 117 -6.679 -3.090 5.762 1.00 0.00 C ATOM 534 C GLY A 117 -5.287 -2.503 5.996 1.00 0.00 C ATOM 535 O GLY A 117 -5.065 -1.766 6.938 1.00 0.00 O ATOM 0 H GLY A 117 -6.756 -1.839 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -7.260 -3.054 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.599 -4.139 5.477 1.00 0.00 H new ATOM 539 N ASP A 118 -4.346 -2.820 5.149 1.00 0.00 N ATOM 540 CA ASP A 118 -2.970 -2.276 5.329 1.00 0.00 C ATOM 541 C ASP A 118 -2.166 -2.465 4.040 1.00 0.00 C ATOM 542 O ASP A 118 -1.367 -1.627 3.670 1.00 0.00 O ATOM 543 CB ASP A 118 -2.277 -3.017 6.475 1.00 0.00 C ATOM 544 CG ASP A 118 -2.488 -2.252 7.783 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.958 -1.128 7.719 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.176 -2.803 8.826 1.00 0.00 O ATOM 0 H ASP A 118 -4.470 -3.431 4.342 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.030 -1.213 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.678 -4.027 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.212 -3.114 6.267 1.00 0.00 H new ATOM 551 N TRP A 119 -2.362 -3.559 3.356 1.00 0.00 N ATOM 552 CA TRP A 119 -1.599 -3.793 2.095 1.00 0.00 C ATOM 553 C TRP A 119 -2.561 -3.844 0.906 1.00 0.00 C ATOM 554 O TRP A 119 -3.264 -4.814 0.704 1.00 0.00 O ATOM 555 CB TRP A 119 -0.843 -5.120 2.195 1.00 0.00 C ATOM 556 CG TRP A 119 0.291 -4.975 3.160 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.354 -5.559 4.379 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.520 -4.207 3.009 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.545 -5.198 4.985 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.297 -4.365 4.181 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.030 -3.397 1.980 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.537 -3.741 4.325 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.278 -2.767 2.122 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.030 -2.939 3.292 1.00 0.00 C ATOM 0 H TRP A 119 -3.015 -4.299 3.614 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.891 -2.978 1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.517 -5.911 2.525 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.466 -5.411 1.215 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.401 -6.201 4.808 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.832 -5.510 5.913 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.459 -3.258 1.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.112 -3.877 5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.660 -2.147 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.989 -2.453 3.395 1.00 0.00 H new ATOM 575 N TRP A 120 -2.590 -2.808 0.111 1.00 0.00 N ATOM 576 CA TRP A 120 -3.498 -2.798 -1.071 1.00 0.00 C ATOM 577 C TRP A 120 -2.708 -3.215 -2.312 1.00 0.00 C ATOM 578 O TRP A 120 -1.493 -3.195 -2.320 1.00 0.00 O ATOM 579 CB TRP A 120 -4.052 -1.388 -1.285 1.00 0.00 C ATOM 580 CG TRP A 120 -5.250 -1.174 -0.416 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.727 -2.061 0.487 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.124 -0.013 -0.353 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.842 -1.515 1.101 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.126 -0.254 0.616 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.145 1.215 -1.038 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -8.115 0.691 0.895 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.137 2.168 -0.760 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.120 1.908 0.205 1.00 0.00 C ATOM 0 H TRP A 120 -2.024 -1.968 0.230 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.322 -3.491 -0.900 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.286 -0.648 -1.052 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.322 -1.249 -2.332 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.308 -3.034 0.695 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.387 -1.987 1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.392 1.426 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.871 0.484 1.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.143 3.107 -1.293 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.880 2.646 0.415 1.00 0.00 H new ATOM 599 N GLU A 121 -3.384 -3.585 -3.365 1.00 0.00 N ATOM 600 CA GLU A 121 -2.667 -3.992 -4.606 1.00 0.00 C ATOM 601 C GLU A 121 -2.908 -2.940 -5.688 1.00 0.00 C ATOM 602 O GLU A 121 -4.015 -2.757 -6.153 1.00 0.00 O ATOM 603 CB GLU A 121 -3.195 -5.347 -5.085 1.00 0.00 C ATOM 604 CG GLU A 121 -3.614 -6.191 -3.880 1.00 0.00 C ATOM 605 CD GLU A 121 -4.197 -7.519 -4.364 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.533 -7.605 -5.534 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.298 -8.430 -3.557 1.00 0.00 O ATOM 0 H GLU A 121 -4.402 -3.623 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.599 -4.075 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.044 -5.202 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.426 -5.867 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.755 -6.373 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.352 -5.653 -3.285 1.00 0.00 H new ATOM 614 N ALA A 122 -1.882 -2.242 -6.092 1.00 0.00 N ATOM 615 CA ALA A 122 -2.063 -1.198 -7.140 1.00 0.00 C ATOM 616 C ALA A 122 -1.181 -1.517 -8.347 1.00 0.00 C ATOM 617 O ALA A 122 -0.143 -2.137 -8.226 1.00 0.00 O ATOM 618 CB ALA A 122 -1.674 0.167 -6.570 1.00 0.00 C ATOM 0 H ALA A 122 -0.929 -2.349 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.107 -1.180 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.806 0.932 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.308 0.398 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.631 0.146 -6.254 1.00 0.00 H new ATOM 624 N ARG A 123 -1.588 -1.094 -9.512 1.00 0.00 N ATOM 625 CA ARG A 123 -0.779 -1.367 -10.731 1.00 0.00 C ATOM 626 C ARG A 123 -0.028 -0.097 -11.136 1.00 0.00 C ATOM 627 O ARG A 123 -0.624 0.924 -11.420 1.00 0.00 O ATOM 628 CB ARG A 123 -1.708 -1.796 -11.869 1.00 0.00 C ATOM 629 CG ARG A 123 -0.893 -2.472 -12.971 1.00 0.00 C ATOM 630 CD ARG A 123 -1.837 -2.975 -14.064 1.00 0.00 C ATOM 631 NE ARG A 123 -1.696 -4.453 -14.201 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.156 -4.957 -15.275 1.00 0.00 C ATOM 633 NH1 ARG A 123 -1.901 -5.242 -16.308 1.00 0.00 N ATOM 634 NH2 ARG A 123 0.130 -5.175 -15.319 1.00 0.00 N ATOM 0 H ARG A 123 -2.448 -0.570 -9.672 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.063 -2.163 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.468 -2.481 -11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.232 -0.929 -12.271 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.174 -1.768 -13.391 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.321 -3.303 -12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.867 -2.719 -13.816 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.606 -2.488 -15.011 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.022 -5.069 -13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.906 -5.070 -16.275 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.478 -5.636 -17.148 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.713 -4.951 -14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.552 -5.569 -16.160 1.00 0.00 H new ATOM 648 N SER A 124 1.275 -0.149 -11.160 1.00 0.00 N ATOM 649 CA SER A 124 2.063 1.058 -11.542 1.00 0.00 C ATOM 650 C SER A 124 1.799 1.400 -13.010 1.00 0.00 C ATOM 651 O SER A 124 2.091 0.626 -13.901 1.00 0.00 O ATOM 652 CB SER A 124 3.553 0.777 -11.344 1.00 0.00 C ATOM 653 OG SER A 124 3.916 1.098 -10.008 1.00 0.00 O ATOM 0 H SER A 124 1.829 -0.975 -10.932 1.00 0.00 H new ATOM 0 HA SER A 124 1.764 1.899 -10.916 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.768 -0.272 -11.550 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.143 1.367 -12.045 1.00 0.00 H new ATOM 0 HG SER A 124 3.164 1.540 -9.562 1.00 0.00 H new ATOM 659 N LEU A 125 1.250 2.555 -13.270 1.00 0.00 N ATOM 660 CA LEU A 125 0.970 2.948 -14.680 1.00 0.00 C ATOM 661 C LEU A 125 2.291 3.191 -15.412 1.00 0.00 C ATOM 662 O LEU A 125 2.328 3.333 -16.618 1.00 0.00 O ATOM 663 CB LEU A 125 0.137 4.232 -14.696 1.00 0.00 C ATOM 664 CG LEU A 125 -1.345 3.883 -14.552 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.158 5.168 -14.385 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.818 3.140 -15.805 1.00 0.00 C ATOM 0 H LEU A 125 0.983 3.244 -12.567 1.00 0.00 H new ATOM 0 HA LEU A 125 0.419 2.150 -15.177 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.447 4.889 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.305 4.775 -15.626 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.485 3.248 -13.677 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.214 4.919 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.822 5.698 -13.494 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.018 5.803 -15.260 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.874 2.891 -15.703 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.678 3.775 -16.679 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.239 2.224 -15.925 1.00 0.00 H new ATOM 678 N THR A 126 3.379 3.241 -14.692 1.00 0.00 N ATOM 679 CA THR A 126 4.696 3.476 -15.345 1.00 0.00 C ATOM 680 C THR A 126 5.341 2.131 -15.686 1.00 0.00 C ATOM 681 O THR A 126 5.398 1.732 -16.832 1.00 0.00 O ATOM 682 CB THR A 126 5.606 4.253 -14.390 1.00 0.00 C ATOM 683 OG1 THR A 126 5.143 5.591 -14.283 1.00 0.00 O ATOM 684 CG2 THR A 126 7.038 4.246 -14.927 1.00 0.00 C ATOM 0 H THR A 126 3.411 3.129 -13.679 1.00 0.00 H new ATOM 0 HA THR A 126 4.553 4.052 -16.259 1.00 0.00 H new ATOM 0 HB THR A 126 5.589 3.783 -13.407 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.723 6.090 -13.671 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.685 4.800 -14.246 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.391 3.218 -15.008 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.060 4.716 -15.910 1.00 0.00 H new ATOM 692 N THR A 127 5.827 1.428 -14.700 1.00 0.00 N ATOM 693 CA THR A 127 6.467 0.109 -14.970 1.00 0.00 C ATOM 694 C THR A 127 5.458 -0.817 -15.653 1.00 0.00 C ATOM 695 O THR A 127 5.791 -1.549 -16.563 1.00 0.00 O ATOM 696 CB THR A 127 6.923 -0.520 -13.650 1.00 0.00 C ATOM 697 OG1 THR A 127 5.784 -0.881 -12.880 1.00 0.00 O ATOM 698 CG2 THR A 127 7.772 0.483 -12.870 1.00 0.00 C ATOM 0 H THR A 127 5.809 1.709 -13.720 1.00 0.00 H new ATOM 0 HA THR A 127 7.330 0.252 -15.621 1.00 0.00 H new ATOM 0 HB THR A 127 7.518 -1.410 -13.858 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.075 -1.285 -12.036 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.095 0.033 -11.931 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.646 0.757 -13.461 1.00 0.00 H new ATOM 0 HG23 THR A 127 7.181 1.375 -12.661 1.00 0.00 H new ATOM 706 N GLY A 128 4.227 -0.790 -15.221 1.00 0.00 N ATOM 707 CA GLY A 128 3.198 -1.668 -15.845 1.00 0.00 C ATOM 708 C GLY A 128 3.071 -2.962 -15.039 1.00 0.00 C ATOM 709 O GLY A 128 2.336 -3.860 -15.399 1.00 0.00 O ATOM 0 H GLY A 128 3.890 -0.197 -14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.238 -1.153 -15.879 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.475 -1.895 -16.875 1.00 0.00 H new ATOM 713 N GLU A 129 3.782 -3.067 -13.949 1.00 0.00 N ATOM 714 CA GLU A 129 3.700 -4.304 -13.123 1.00 0.00 C ATOM 715 C GLU A 129 2.672 -4.108 -12.007 1.00 0.00 C ATOM 716 O GLU A 129 2.125 -3.037 -11.833 1.00 0.00 O ATOM 717 CB GLU A 129 5.072 -4.595 -12.508 1.00 0.00 C ATOM 718 CG GLU A 129 6.166 -4.255 -13.523 1.00 0.00 C ATOM 719 CD GLU A 129 7.534 -4.602 -12.934 1.00 0.00 C ATOM 720 OE1 GLU A 129 7.687 -5.712 -12.452 1.00 0.00 O ATOM 721 OE2 GLU A 129 8.409 -3.751 -12.977 1.00 0.00 O ATOM 0 H GLU A 129 4.415 -2.350 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 129 3.396 -5.141 -13.751 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.208 -4.008 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.139 -5.645 -12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.005 -4.810 -14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.125 -3.196 -13.776 1.00 0.00 H new ATOM 728 N THR A 130 2.402 -5.136 -11.249 1.00 0.00 N ATOM 729 CA THR A 130 1.409 -5.010 -10.145 1.00 0.00 C ATOM 730 C THR A 130 2.058 -5.444 -8.829 1.00 0.00 C ATOM 731 O THR A 130 2.801 -6.404 -8.781 1.00 0.00 O ATOM 732 CB THR A 130 0.201 -5.901 -10.441 1.00 0.00 C ATOM 733 OG1 THR A 130 0.198 -6.248 -11.819 1.00 0.00 O ATOM 734 CG2 THR A 130 -1.088 -5.149 -10.101 1.00 0.00 C ATOM 0 H THR A 130 2.827 -6.058 -11.347 1.00 0.00 H new ATOM 0 HA THR A 130 1.081 -3.974 -10.064 1.00 0.00 H new ATOM 0 HB THR A 130 0.261 -6.806 -9.836 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.574 -6.820 -12.011 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.947 -5.785 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 130 -1.086 -4.882 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 130 -1.150 -4.243 -10.704 1.00 0.00 H new ATOM 742 N GLY A 131 1.784 -4.747 -7.760 1.00 0.00 N ATOM 743 CA GLY A 131 2.390 -5.124 -6.452 1.00 0.00 C ATOM 744 C GLY A 131 1.483 -4.664 -5.310 1.00 0.00 C ATOM 745 O GLY A 131 0.346 -4.287 -5.519 1.00 0.00 O ATOM 0 H GLY A 131 1.168 -3.934 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.532 -6.204 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.375 -4.669 -6.352 1.00 0.00 H new ATOM 749 N TYR A 132 1.974 -4.699 -4.100 1.00 0.00 N ATOM 750 CA TYR A 132 1.134 -4.273 -2.946 1.00 0.00 C ATOM 751 C TYR A 132 1.699 -2.989 -2.327 1.00 0.00 C ATOM 752 O TYR A 132 2.774 -2.982 -1.761 1.00 0.00 O ATOM 753 CB TYR A 132 1.130 -5.382 -1.890 1.00 0.00 C ATOM 754 CG TYR A 132 0.392 -6.588 -2.421 1.00 0.00 C ATOM 755 CD1 TYR A 132 0.909 -7.306 -3.506 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.810 -6.992 -1.825 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.224 -8.425 -3.996 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.494 -8.111 -2.315 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.976 -8.829 -3.400 1.00 0.00 C ATOM 760 OH TYR A 132 -1.650 -9.932 -3.881 1.00 0.00 O ATOM 0 H TYR A 132 2.918 -5.003 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 132 0.118 -4.084 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.153 -5.655 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.654 -5.026 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 132 1.836 -6.997 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.209 -6.440 -0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.622 -8.977 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.421 -8.421 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.610 -9.740 -3.914 1.00 0.00 H new ATOM 770 N ILE A 133 0.975 -1.905 -2.420 1.00 0.00 N ATOM 771 CA ILE A 133 1.461 -0.626 -1.825 1.00 0.00 C ATOM 772 C ILE A 133 0.681 -0.352 -0.533 1.00 0.00 C ATOM 773 O ILE A 133 -0.422 -0.834 -0.369 1.00 0.00 O ATOM 774 CB ILE A 133 1.232 0.527 -2.807 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.221 0.509 -3.288 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.165 0.375 -4.010 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.588 1.885 -3.849 1.00 0.00 C ATOM 0 H ILE A 133 0.068 -1.850 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 133 2.527 -0.706 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 133 1.440 1.472 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.353 -0.255 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.885 0.251 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 133 1.998 1.197 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.201 0.390 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.961 -0.571 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.623 1.874 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.472 2.638 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.069 2.124 -4.685 1.00 0.00 H new ATOM 789 N PRO A 134 1.275 0.414 0.345 1.00 0.00 N ATOM 790 CA PRO A 134 0.644 0.763 1.631 1.00 0.00 C ATOM 791 C PRO A 134 -0.672 1.508 1.382 1.00 0.00 C ATOM 792 O PRO A 134 -0.706 2.524 0.716 1.00 0.00 O ATOM 793 CB PRO A 134 1.665 1.667 2.335 1.00 0.00 C ATOM 794 CG PRO A 134 2.893 1.813 1.398 1.00 0.00 C ATOM 795 CD PRO A 134 2.613 0.994 0.129 1.00 0.00 C ATOM 0 HA PRO A 134 0.399 -0.112 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.229 2.643 2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.963 1.235 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.061 2.861 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.796 1.455 1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.633 1.623 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.363 0.216 -0.014 1.00 0.00 H new ATOM 803 N SER A 135 -1.757 1.004 1.905 1.00 0.00 N ATOM 804 CA SER A 135 -3.073 1.673 1.690 1.00 0.00 C ATOM 805 C SER A 135 -3.074 3.054 2.350 1.00 0.00 C ATOM 806 O SER A 135 -3.632 4.000 1.829 1.00 0.00 O ATOM 807 CB SER A 135 -4.183 0.816 2.304 1.00 0.00 C ATOM 808 OG SER A 135 -3.954 0.686 3.702 1.00 0.00 O ATOM 0 H SER A 135 -1.789 0.157 2.472 1.00 0.00 H new ATOM 0 HA SER A 135 -3.244 1.789 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.155 1.275 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.202 -0.167 1.834 1.00 0.00 H new ATOM 0 HG SER A 135 -4.663 0.139 4.100 1.00 0.00 H new ATOM 814 N ASN A 136 -2.462 3.180 3.496 1.00 0.00 N ATOM 815 CA ASN A 136 -2.441 4.500 4.190 1.00 0.00 C ATOM 816 C ASN A 136 -1.451 5.440 3.496 1.00 0.00 C ATOM 817 O ASN A 136 -1.253 6.563 3.916 1.00 0.00 O ATOM 818 CB ASN A 136 -2.018 4.302 5.646 1.00 0.00 C ATOM 819 CG ASN A 136 -2.809 3.143 6.253 1.00 0.00 C ATOM 820 OD1 ASN A 136 -3.932 2.889 5.865 1.00 0.00 O ATOM 821 ND2 ASN A 136 -2.267 2.421 7.197 1.00 0.00 N ATOM 0 H ASN A 136 -1.976 2.426 3.982 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.438 4.939 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.949 4.095 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -2.195 5.215 6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -2.786 1.645 7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -1.324 2.633 7.524 1.00 0.00 H new ATOM 828 N TYR A 137 -0.827 4.998 2.438 1.00 0.00 N ATOM 829 CA TYR A 137 0.144 5.878 1.731 1.00 0.00 C ATOM 830 C TYR A 137 -0.443 6.321 0.390 1.00 0.00 C ATOM 831 O TYR A 137 0.223 6.948 -0.408 1.00 0.00 O ATOM 832 CB TYR A 137 1.446 5.113 1.482 1.00 0.00 C ATOM 833 CG TYR A 137 2.366 5.286 2.666 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.879 5.093 3.964 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.705 5.640 2.467 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.731 5.254 5.063 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.558 5.800 3.565 1.00 0.00 C ATOM 838 CZ TYR A 137 4.072 5.608 4.863 1.00 0.00 C ATOM 839 OH TYR A 137 4.913 5.766 5.947 1.00 0.00 O ATOM 0 H TYR A 137 -0.948 4.069 2.035 1.00 0.00 H new ATOM 0 HA TYR A 137 0.346 6.753 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.234 4.055 1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.929 5.480 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.846 4.820 4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.081 5.790 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.355 5.105 6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.592 6.072 3.410 1.00 0.00 H new ATOM 0 HH TYR A 137 5.809 6.011 5.633 1.00 0.00 H new ATOM 849 N VAL A 138 -1.682 6.000 0.131 1.00 0.00 N ATOM 850 CA VAL A 138 -2.296 6.408 -1.165 1.00 0.00 C ATOM 851 C VAL A 138 -3.647 7.080 -0.910 1.00 0.00 C ATOM 852 O VAL A 138 -4.290 6.846 0.093 1.00 0.00 O ATOM 853 CB VAL A 138 -2.502 5.174 -2.045 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.233 4.912 -2.856 1.00 0.00 C ATOM 855 CG2 VAL A 138 -2.805 3.960 -1.163 1.00 0.00 C ATOM 0 H VAL A 138 -2.293 5.476 0.757 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.633 7.110 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.339 5.346 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.378 4.033 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.018 5.776 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.397 4.740 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.952 3.081 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -1.970 3.786 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.710 4.147 -0.584 1.00 0.00 H new ATOM 865 N ALA A 139 -4.081 7.914 -1.819 1.00 0.00 N ATOM 866 CA ALA A 139 -5.390 8.599 -1.636 1.00 0.00 C ATOM 867 C ALA A 139 -6.118 8.672 -2.984 1.00 0.00 C ATOM 868 O ALA A 139 -5.492 8.841 -4.012 1.00 0.00 O ATOM 869 CB ALA A 139 -5.157 10.017 -1.109 1.00 0.00 C ATOM 0 H ALA A 139 -3.584 8.149 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.995 8.041 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.116 10.518 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.636 9.969 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.552 10.576 -1.823 1.00 0.00 H new ATOM 875 N PRO A 140 -7.420 8.543 -2.939 1.00 0.00 N ATOM 876 CA PRO A 140 -8.254 8.592 -4.154 1.00 0.00 C ATOM 877 C PRO A 140 -8.111 9.955 -4.837 1.00 0.00 C ATOM 878 O PRO A 140 -8.003 10.977 -4.189 1.00 0.00 O ATOM 879 CB PRO A 140 -9.691 8.388 -3.653 1.00 0.00 C ATOM 880 CG PRO A 140 -9.634 8.220 -2.113 1.00 0.00 C ATOM 881 CD PRO A 140 -8.163 8.339 -1.684 1.00 0.00 C ATOM 0 HA PRO A 140 -7.966 7.838 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.314 9.241 -3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.137 7.508 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.238 8.983 -1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.041 7.253 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.017 9.173 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.828 7.440 -1.168 1.00 0.00 H new ATOM 889 N VAL A 141 -8.113 9.978 -6.143 1.00 0.00 N ATOM 890 CA VAL A 141 -7.980 11.274 -6.866 1.00 0.00 C ATOM 891 C VAL A 141 -9.371 11.800 -7.225 1.00 0.00 C ATOM 892 O VAL A 141 -10.339 11.153 -6.859 1.00 0.00 O ATOM 893 CB VAL A 141 -7.171 11.066 -8.147 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.007 10.283 -9.160 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.800 12.428 -8.737 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.444 12.841 -7.856 1.00 0.00 O ATOM 0 H VAL A 141 -8.201 9.155 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.469 11.994 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.264 10.506 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.429 10.136 -10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.274 9.314 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.914 10.841 -9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.223 12.284 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.709 12.985 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.204 12.987 -8.016 1.00 0.00 H new TER 906 VAL A 141