USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 828 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0535 K(o=-0.054,f=-2!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 80:sc= -0.118 USER MOD Single : A 47 THR OG1 : rot 38:sc= 0.158 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 64 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.41) USER MOD Single : A 67 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.049) USER MOD Single : A 71 THR OG1 : rot -28:sc= -0.685! USER MOD Single : A 73 ASN : amide:sc= -0.736 K(o=-0.74,f=-5.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 81 MET CE :methyl -165:sc= -0.167 (180deg=-0.423) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.16) USER MOD Single : A 105 ASN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 113 SER OG : rot 51:sc= 0.828 USER MOD Single : A 115 THR OG1 : rot -74:sc= 0.394 USER MOD Single : A 116 GLN : amide:sc= -3.74! K(o=-3.7!,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -18.707 -8.118 -2.632 1.00 0.81 N ATOM 87 CA ASP A 8 -18.794 -7.096 -3.669 1.00 0.80 C ATOM 88 C ASP A 8 -17.996 -5.874 -3.239 1.00 0.67 C ATOM 89 O ASP A 8 -17.365 -5.206 -4.058 1.00 0.67 O ATOM 90 CB ASP A 8 -20.252 -6.702 -3.923 1.00 0.91 C ATOM 91 CG ASP A 8 -20.387 -5.611 -4.970 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.325 -4.418 -4.602 1.00 2.05 O ATOM 93 OD2 ASP A 8 -20.549 -5.938 -6.164 1.00 2.18 O ATOM 0 HA ASP A 8 -18.383 -7.498 -4.595 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.811 -7.581 -4.245 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.701 -6.362 -2.990 1.00 0.91 H new ATOM 98 N THR A 9 -18.005 -5.616 -1.937 1.00 0.62 N ATOM 99 CA THR A 9 -17.266 -4.507 -1.360 1.00 0.58 C ATOM 100 C THR A 9 -15.770 -4.745 -1.518 1.00 0.49 C ATOM 101 O THR A 9 -15.025 -3.872 -1.972 1.00 0.46 O ATOM 102 CB THR A 9 -17.596 -4.356 0.138 1.00 0.64 C ATOM 103 OG1 THR A 9 -19.015 -4.264 0.320 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.919 -3.127 0.726 1.00 0.72 C ATOM 0 H THR A 9 -18.524 -6.170 -1.256 1.00 0.62 H new ATOM 0 HA THR A 9 -17.554 -3.595 -1.883 1.00 0.58 H new ATOM 0 HB THR A 9 -17.220 -5.236 0.659 1.00 0.64 H new ATOM 0 HG1 THR A 9 -19.217 -4.170 1.274 1.00 0.74 H new ATOM 0 HG21 THR A 9 -17.169 -3.045 1.784 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.839 -3.218 0.615 1.00 0.72 H new ATOM 0 HG23 THR A 9 -17.264 -2.236 0.202 1.00 0.72 H new ATOM 112 N ALA A 10 -15.348 -5.950 -1.156 1.00 0.51 N ATOM 113 CA ALA A 10 -13.953 -6.335 -1.250 1.00 0.50 C ATOM 114 C ALA A 10 -13.488 -6.324 -2.701 1.00 0.48 C ATOM 115 O ALA A 10 -12.367 -5.914 -2.998 1.00 0.45 O ATOM 116 CB ALA A 10 -13.740 -7.706 -0.630 1.00 0.60 C ATOM 0 H ALA A 10 -15.961 -6.680 -0.792 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.357 -5.609 -0.697 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.688 -7.981 -0.708 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -14.031 -7.680 0.420 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.348 -8.442 -1.157 1.00 0.60 H new ATOM 122 N ARG A 11 -14.364 -6.759 -3.603 1.00 0.54 N ATOM 123 CA ARG A 11 -14.040 -6.776 -5.024 1.00 0.59 C ATOM 124 C ARG A 11 -13.850 -5.358 -5.552 1.00 0.52 C ATOM 125 O ARG A 11 -12.945 -5.100 -6.345 1.00 0.52 O ATOM 126 CB ARG A 11 -15.126 -7.497 -5.830 1.00 0.74 C ATOM 127 CG ARG A 11 -14.885 -7.454 -7.331 1.00 1.02 C ATOM 128 CD ARG A 11 -15.863 -8.335 -8.089 1.00 1.21 C ATOM 129 NE ARG A 11 -15.635 -8.272 -9.532 1.00 1.97 N ATOM 130 CZ ARG A 11 -15.583 -9.338 -10.330 1.00 2.53 C ATOM 131 NH1 ARG A 11 -15.761 -10.559 -9.834 1.00 2.44 N ATOM 132 NH2 ARG A 11 -15.360 -9.181 -11.629 1.00 3.56 N ATOM 0 H ARG A 11 -15.297 -7.102 -3.376 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.104 -7.323 -5.143 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.180 -8.537 -5.507 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.093 -7.045 -5.611 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.974 -6.426 -7.683 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.866 -7.777 -7.544 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.764 -9.366 -7.749 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.883 -8.022 -7.867 1.00 1.21 H new ATOM 0 HE ARG A 11 -15.508 -7.353 -9.955 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -15.939 -10.684 -8.837 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -15.720 -11.371 -10.450 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -15.229 -8.246 -12.015 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -15.320 -9.996 -12.242 1.00 3.56 H new ATOM 146 N ARG A 12 -14.699 -4.441 -5.099 1.00 0.51 N ATOM 147 CA ARG A 12 -14.625 -3.050 -5.525 1.00 0.51 C ATOM 148 C ARG A 12 -13.265 -2.452 -5.176 1.00 0.42 C ATOM 149 O ARG A 12 -12.670 -1.728 -5.975 1.00 0.41 O ATOM 150 CB ARG A 12 -15.745 -2.235 -4.875 1.00 0.57 C ATOM 151 CG ARG A 12 -15.805 -0.789 -5.348 1.00 1.31 C ATOM 152 CD ARG A 12 -16.941 -0.026 -4.682 1.00 1.38 C ATOM 153 NE ARG A 12 -16.887 1.406 -4.973 1.00 2.05 N ATOM 154 CZ ARG A 12 -17.934 2.231 -4.877 1.00 2.50 C ATOM 155 NH1 ARG A 12 -19.138 1.764 -4.555 1.00 2.39 N ATOM 156 NH2 ARG A 12 -17.774 3.527 -5.114 1.00 3.49 N ATOM 0 H ARG A 12 -15.448 -4.638 -4.435 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.749 -3.015 -6.607 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.700 -2.716 -5.084 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.611 -2.249 -3.793 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -14.858 -0.295 -5.130 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -15.936 -0.765 -6.430 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.895 -0.429 -5.021 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -16.896 -0.178 -3.604 1.00 1.38 H new ATOM 0 HE ARG A 12 -15.994 1.800 -5.268 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -19.268 0.768 -4.379 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -19.930 2.402 -4.484 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -16.855 3.889 -5.368 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -18.570 4.161 -5.042 1.00 3.49 H new ATOM 170 N PHE A 13 -12.772 -2.770 -3.987 1.00 0.40 N ATOM 171 CA PHE A 13 -11.465 -2.290 -3.556 1.00 0.37 C ATOM 172 C PHE A 13 -10.365 -2.910 -4.415 1.00 0.33 C ATOM 173 O PHE A 13 -9.493 -2.208 -4.927 1.00 0.33 O ATOM 174 CB PHE A 13 -11.235 -2.611 -2.072 1.00 0.41 C ATOM 175 CG PHE A 13 -9.925 -2.096 -1.536 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.776 -0.761 -1.194 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.844 -2.948 -1.377 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.573 -0.287 -0.706 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.640 -2.481 -0.888 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.504 -1.148 -0.553 1.00 0.50 C ATOM 0 H PHE A 13 -13.255 -3.356 -3.306 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.434 -1.208 -3.680 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.050 -2.184 -1.487 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.275 -3.691 -1.933 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.609 -0.084 -1.310 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.944 -3.991 -1.639 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.469 0.756 -0.445 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.806 -3.157 -0.768 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.563 -0.779 -0.172 1.00 0.50 H new ATOM 190 N ASP A 14 -10.439 -4.226 -4.585 1.00 0.35 N ATOM 191 CA ASP A 14 -9.449 -4.981 -5.354 1.00 0.37 C ATOM 192 C ASP A 14 -9.371 -4.516 -6.805 1.00 0.34 C ATOM 193 O ASP A 14 -8.286 -4.419 -7.375 1.00 0.37 O ATOM 194 CB ASP A 14 -9.783 -6.478 -5.295 1.00 0.47 C ATOM 195 CG ASP A 14 -9.120 -7.291 -6.394 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.888 -7.469 -6.361 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.844 -7.785 -7.289 1.00 0.65 O ATOM 0 H ASP A 14 -11.185 -4.801 -4.195 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.472 -4.802 -4.905 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.476 -6.873 -4.326 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.864 -6.604 -5.362 1.00 0.47 H new ATOM 202 N THR A 15 -10.512 -4.210 -7.395 1.00 0.33 N ATOM 203 CA THR A 15 -10.555 -3.889 -8.812 1.00 0.34 C ATOM 204 C THR A 15 -10.283 -2.400 -9.075 1.00 0.33 C ATOM 205 O THR A 15 -9.547 -2.057 -10.001 1.00 0.37 O ATOM 206 CB THR A 15 -11.905 -4.319 -9.450 1.00 0.39 C ATOM 207 OG1 THR A 15 -11.804 -4.320 -10.880 1.00 1.51 O ATOM 208 CG2 THR A 15 -13.052 -3.407 -9.031 1.00 1.34 C ATOM 0 H THR A 15 -11.415 -4.177 -6.921 1.00 0.33 H new ATOM 0 HA THR A 15 -9.756 -4.458 -9.286 1.00 0.34 H new ATOM 0 HB THR A 15 -12.120 -5.325 -9.091 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.661 -4.594 -11.268 1.00 1.51 H new ATOM 0 HG21 THR A 15 -13.976 -3.745 -9.501 1.00 1.34 H new ATOM 0 HG22 THR A 15 -13.164 -3.437 -7.947 1.00 1.34 H new ATOM 0 HG23 THR A 15 -12.838 -2.385 -9.345 1.00 1.34 H new ATOM 216 N GLU A 16 -10.855 -1.521 -8.255 1.00 0.33 N ATOM 217 CA GLU A 16 -10.812 -0.090 -8.536 1.00 0.39 C ATOM 218 C GLU A 16 -9.680 0.630 -7.801 1.00 0.37 C ATOM 219 O GLU A 16 -8.958 1.435 -8.395 1.00 0.46 O ATOM 220 CB GLU A 16 -12.151 0.546 -8.155 1.00 0.48 C ATOM 221 CG GLU A 16 -12.286 1.993 -8.593 1.00 0.60 C ATOM 222 CD GLU A 16 -12.449 2.130 -10.090 1.00 1.15 C ATOM 223 OE1 GLU A 16 -11.429 2.174 -10.806 1.00 1.81 O ATOM 224 OE2 GLU A 16 -13.605 2.197 -10.555 1.00 1.27 O ATOM 0 H GLU A 16 -11.349 -1.772 -7.399 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.622 0.020 -9.604 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.959 -0.036 -8.599 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.275 0.490 -7.074 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.145 2.442 -8.094 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.405 2.550 -8.274 1.00 0.60 H new ATOM 231 N PHE A 17 -9.510 0.331 -6.521 1.00 0.31 N ATOM 232 CA PHE A 17 -8.657 1.151 -5.664 1.00 0.32 C ATOM 233 C PHE A 17 -7.259 0.565 -5.491 1.00 0.30 C ATOM 234 O PHE A 17 -6.267 1.289 -5.574 1.00 0.33 O ATOM 235 CB PHE A 17 -9.313 1.341 -4.292 1.00 0.37 C ATOM 236 CG PHE A 17 -10.618 2.099 -4.338 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.814 1.446 -4.602 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.645 3.467 -4.112 1.00 0.64 C ATOM 239 CE1 PHE A 17 -13.008 2.142 -4.639 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.837 4.166 -4.146 1.00 0.72 C ATOM 241 CZ PHE A 17 -13.019 3.503 -4.409 1.00 0.57 C ATOM 0 H PHE A 17 -9.945 -0.464 -6.054 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.545 2.115 -6.159 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.488 0.362 -3.845 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.619 1.870 -3.639 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.812 0.381 -4.781 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.724 3.992 -3.907 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.931 1.621 -4.848 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.844 5.231 -3.967 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.951 4.048 -4.435 1.00 0.57 H new ATOM 251 N ALA A 18 -7.178 -0.738 -5.259 1.00 0.29 N ATOM 252 CA ALA A 18 -5.903 -1.384 -4.961 1.00 0.30 C ATOM 253 C ALA A 18 -4.862 -1.199 -6.078 1.00 0.29 C ATOM 254 O ALA A 18 -3.723 -0.824 -5.790 1.00 0.30 O ATOM 255 CB ALA A 18 -6.109 -2.858 -4.644 1.00 0.32 C ATOM 0 H ALA A 18 -7.979 -1.370 -5.271 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.498 -0.888 -4.079 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.147 -3.321 -4.425 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.764 -2.956 -3.779 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.564 -3.354 -5.501 1.00 0.32 H new ATOM 261 N PRO A 19 -5.212 -1.441 -7.366 1.00 0.30 N ATOM 262 CA PRO A 19 -4.266 -1.252 -8.475 1.00 0.32 C ATOM 263 C PRO A 19 -3.851 0.208 -8.628 1.00 0.31 C ATOM 264 O PRO A 19 -2.774 0.509 -9.141 1.00 0.32 O ATOM 265 CB PRO A 19 -5.044 -1.717 -9.715 1.00 0.37 C ATOM 266 CG PRO A 19 -6.152 -2.548 -9.175 1.00 0.35 C ATOM 267 CD PRO A 19 -6.513 -1.926 -7.860 1.00 0.31 C ATOM 0 HA PRO A 19 -3.341 -1.806 -8.314 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.426 -0.869 -10.284 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.409 -2.293 -10.388 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.005 -2.554 -9.854 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.839 -3.584 -9.047 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.230 -1.114 -7.979 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.961 -2.649 -7.179 1.00 0.31 H new ATOM 275 N ARG A 20 -4.705 1.108 -8.159 1.00 0.32 N ATOM 276 CA ARG A 20 -4.431 2.535 -8.239 1.00 0.35 C ATOM 277 C ARG A 20 -3.311 2.901 -7.274 1.00 0.30 C ATOM 278 O ARG A 20 -2.432 3.695 -7.601 1.00 0.31 O ATOM 279 CB ARG A 20 -5.701 3.335 -7.927 1.00 0.43 C ATOM 280 CG ARG A 20 -5.523 4.847 -7.959 1.00 1.07 C ATOM 281 CD ARG A 20 -4.992 5.330 -9.298 1.00 1.40 C ATOM 282 NE ARG A 20 -5.068 6.786 -9.422 1.00 1.95 N ATOM 283 CZ ARG A 20 -4.106 7.544 -9.950 1.00 2.73 C ATOM 284 NH1 ARG A 20 -2.987 6.992 -10.406 1.00 3.15 N ATOM 285 NH2 ARG A 20 -4.271 8.858 -10.030 1.00 3.58 N ATOM 0 H ARG A 20 -5.595 0.874 -7.719 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.112 2.783 -9.251 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.474 3.058 -8.644 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.063 3.046 -6.940 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.479 5.329 -7.753 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -4.837 5.148 -7.167 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -3.957 5.009 -9.415 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -5.562 4.867 -10.103 1.00 1.40 H new ATOM 0 HE ARG A 20 -5.910 7.251 -9.083 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -2.859 5.981 -10.354 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -2.256 7.579 -10.808 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -5.132 9.286 -9.688 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -3.537 9.441 -10.433 1.00 3.58 H new ATOM 299 N ILE A 21 -3.341 2.295 -6.095 1.00 0.28 N ATOM 300 CA ILE A 21 -2.313 2.524 -5.091 1.00 0.28 C ATOM 301 C ILE A 21 -0.991 1.916 -5.541 1.00 0.24 C ATOM 302 O ILE A 21 0.047 2.574 -5.521 1.00 0.25 O ATOM 303 CB ILE A 21 -2.712 1.914 -3.729 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.042 2.510 -3.250 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.614 2.152 -2.696 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.605 1.847 -2.006 1.00 0.38 C ATOM 0 H ILE A 21 -4.069 1.639 -5.811 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.203 3.602 -4.973 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.839 0.838 -3.852 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -3.901 3.572 -3.051 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -4.774 2.431 -4.054 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -1.911 1.716 -1.742 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.688 1.687 -3.035 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.457 3.224 -2.572 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.545 2.326 -1.732 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.780 0.790 -2.205 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -3.894 1.949 -1.186 1.00 0.38 H new ATOM 318 N ALA A 22 -1.049 0.660 -5.968 1.00 0.23 N ATOM 319 CA ALA A 22 0.140 -0.079 -6.373 1.00 0.23 C ATOM 320 C ALA A 22 0.877 0.615 -7.512 1.00 0.24 C ATOM 321 O ALA A 22 2.097 0.780 -7.468 1.00 0.28 O ATOM 322 CB ALA A 22 -0.245 -1.491 -6.786 1.00 0.25 C ATOM 0 H ALA A 22 -1.916 0.128 -6.043 1.00 0.23 H new ATOM 0 HA ALA A 22 0.815 -0.118 -5.518 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.648 -2.038 -7.088 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.716 -2.000 -5.945 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -0.944 -1.448 -7.622 1.00 0.25 H new ATOM 328 N ARG A 23 0.129 1.022 -8.523 1.00 0.27 N ATOM 329 CA ARG A 23 0.706 1.645 -9.703 1.00 0.34 C ATOM 330 C ARG A 23 1.221 3.047 -9.387 1.00 0.30 C ATOM 331 O ARG A 23 2.265 3.461 -9.891 1.00 0.31 O ATOM 332 CB ARG A 23 -0.336 1.683 -10.822 1.00 0.47 C ATOM 333 CG ARG A 23 0.182 2.215 -12.146 1.00 1.16 C ATOM 334 CD ARG A 23 -0.869 2.071 -13.232 1.00 1.33 C ATOM 335 NE ARG A 23 -0.447 2.667 -14.496 1.00 1.85 N ATOM 336 CZ ARG A 23 -1.224 2.743 -15.574 1.00 2.38 C ATOM 337 NH1 ARG A 23 -2.452 2.237 -15.551 1.00 2.41 N ATOM 338 NH2 ARG A 23 -0.772 3.325 -16.675 1.00 3.36 N ATOM 0 H ARG A 23 -0.887 0.931 -8.550 1.00 0.27 H new ATOM 0 HA ARG A 23 1.559 1.052 -10.034 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -0.723 0.676 -10.976 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.175 2.300 -10.500 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.459 3.264 -12.038 1.00 1.16 H new ATOM 0 HG3 ARG A 23 1.084 1.675 -12.433 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.086 1.014 -13.386 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -1.795 2.542 -12.902 1.00 1.33 H new ATOM 0 HE ARG A 23 0.498 3.047 -14.557 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -2.803 1.788 -14.705 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -3.044 2.297 -16.379 1.00 2.41 H new ATOM 0 HH21 ARG A 23 0.171 3.714 -16.696 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -1.367 3.384 -17.502 1.00 3.36 H new ATOM 352 N ALA A 24 0.496 3.769 -8.537 1.00 0.29 N ATOM 353 CA ALA A 24 0.891 5.118 -8.149 1.00 0.31 C ATOM 354 C ALA A 24 2.204 5.099 -7.375 1.00 0.29 C ATOM 355 O ALA A 24 3.080 5.930 -7.605 1.00 0.31 O ATOM 356 CB ALA A 24 -0.195 5.778 -7.317 1.00 0.35 C ATOM 0 H ALA A 24 -0.368 3.442 -8.104 1.00 0.29 H new ATOM 0 HA ALA A 24 1.035 5.699 -9.060 1.00 0.31 H new ATOM 0 HB1 ALA A 24 0.121 6.783 -7.038 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.115 5.835 -7.899 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.371 5.190 -6.416 1.00 0.35 H new ATOM 362 N ILE A 25 2.330 4.148 -6.459 1.00 0.27 N ATOM 363 CA ILE A 25 3.537 4.011 -5.657 1.00 0.30 C ATOM 364 C ILE A 25 4.724 3.597 -6.524 1.00 0.30 C ATOM 365 O ILE A 25 5.806 4.179 -6.428 1.00 0.33 O ATOM 366 CB ILE A 25 3.349 2.977 -4.522 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.263 3.438 -3.540 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.661 2.745 -3.787 1.00 0.39 C ATOM 369 CD1 ILE A 25 2.573 4.753 -2.854 1.00 1.05 C ATOM 0 H ILE A 25 1.608 3.458 -6.253 1.00 0.27 H new ATOM 0 HA ILE A 25 3.737 4.986 -5.213 1.00 0.30 H new ATOM 0 HB ILE A 25 3.031 2.036 -4.970 1.00 0.33 H new ATOM 0 HG12 ILE A 25 1.319 3.533 -4.076 1.00 0.36 H new ATOM 0 HG13 ILE A 25 2.123 2.668 -2.781 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.509 2.015 -2.992 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.408 2.370 -4.486 1.00 0.39 H new ATOM 0 HG23 ILE A 25 5.007 3.684 -3.355 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.759 5.011 -2.177 1.00 1.05 H new ATOM 0 HD12 ILE A 25 3.500 4.659 -2.288 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.684 5.537 -3.603 1.00 1.05 H new ATOM 381 N ALA A 26 4.508 2.606 -7.382 1.00 0.31 N ATOM 382 CA ALA A 26 5.563 2.096 -8.249 1.00 0.36 C ATOM 383 C ALA A 26 6.122 3.200 -9.139 1.00 0.38 C ATOM 384 O ALA A 26 7.335 3.326 -9.306 1.00 0.40 O ATOM 385 CB ALA A 26 5.041 0.948 -9.097 1.00 0.42 C ATOM 0 H ALA A 26 3.608 2.139 -7.496 1.00 0.31 H new ATOM 0 HA ALA A 26 6.372 1.728 -7.617 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.840 0.578 -9.739 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.695 0.144 -8.448 1.00 0.42 H new ATOM 0 HB3 ALA A 26 4.213 1.298 -9.713 1.00 0.42 H new ATOM 391 N ASP A 27 5.227 4.002 -9.695 1.00 0.40 N ATOM 392 CA ASP A 27 5.613 5.098 -10.574 1.00 0.47 C ATOM 393 C ASP A 27 6.276 6.226 -9.788 1.00 0.45 C ATOM 394 O ASP A 27 7.204 6.871 -10.275 1.00 0.48 O ATOM 395 CB ASP A 27 4.388 5.622 -11.326 1.00 0.56 C ATOM 396 CG ASP A 27 4.707 6.814 -12.202 1.00 0.72 C ATOM 397 OD1 ASP A 27 5.576 6.688 -13.087 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.104 7.892 -11.996 1.00 0.80 O ATOM 0 H ASP A 27 4.221 3.914 -9.552 1.00 0.40 H new ATOM 0 HA ASP A 27 6.338 4.720 -11.294 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.976 4.823 -11.942 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.617 5.900 -10.607 1.00 0.56 H new ATOM 403 N LEU A 28 5.818 6.433 -8.558 1.00 0.42 N ATOM 404 CA LEU A 28 6.354 7.486 -7.701 1.00 0.46 C ATOM 405 C LEU A 28 7.795 7.158 -7.329 1.00 0.44 C ATOM 406 O LEU A 28 8.652 8.041 -7.263 1.00 0.49 O ATOM 407 CB LEU A 28 5.475 7.634 -6.440 1.00 0.49 C ATOM 408 CG LEU A 28 5.722 8.870 -5.557 1.00 0.90 C ATOM 409 CD1 LEU A 28 6.951 8.688 -4.680 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.860 10.125 -6.410 1.00 1.44 C ATOM 0 H LEU A 28 5.073 5.883 -8.130 1.00 0.42 H new ATOM 0 HA LEU A 28 6.344 8.436 -8.236 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.431 7.645 -6.754 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.613 6.745 -5.825 1.00 0.49 H new ATOM 0 HG LEU A 28 4.857 8.986 -4.904 1.00 0.90 H new ATOM 0 HD11 LEU A 28 7.097 9.579 -4.069 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.811 7.823 -4.032 1.00 1.69 H new ATOM 0 HD13 LEU A 28 7.827 8.532 -5.309 1.00 1.69 H new ATOM 0 HD21 LEU A 28 6.034 10.986 -5.765 1.00 1.44 H new ATOM 0 HD22 LEU A 28 6.700 10.009 -7.095 1.00 1.44 H new ATOM 0 HD23 LEU A 28 4.945 10.279 -6.982 1.00 1.44 H new ATOM 422 N LEU A 29 8.061 5.877 -7.117 1.00 0.40 N ATOM 423 CA LEU A 29 9.397 5.424 -6.760 1.00 0.41 C ATOM 424 C LEU A 29 10.244 5.195 -8.007 1.00 0.44 C ATOM 425 O LEU A 29 11.330 4.625 -7.930 1.00 0.48 O ATOM 426 CB LEU A 29 9.317 4.128 -5.951 1.00 0.38 C ATOM 427 CG LEU A 29 8.484 4.203 -4.672 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.418 2.839 -4.003 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.054 5.239 -3.716 1.00 0.49 C ATOM 0 H LEU A 29 7.368 5.132 -7.186 1.00 0.40 H new ATOM 0 HA LEU A 29 9.866 6.200 -6.155 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.903 3.347 -6.589 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.329 3.821 -5.688 1.00 0.38 H new ATOM 0 HG LEU A 29 7.472 4.509 -4.939 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.821 2.908 -3.093 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.960 2.122 -4.684 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.426 2.508 -3.752 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.445 5.275 -2.813 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.077 4.968 -3.453 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.050 6.218 -4.196 1.00 0.49 H new ATOM 441 N ASN A 30 9.724 5.631 -9.153 1.00 0.45 N ATOM 442 CA ASN A 30 10.402 5.479 -10.443 1.00 0.51 C ATOM 443 C ASN A 30 10.765 4.021 -10.705 1.00 0.49 C ATOM 444 O ASN A 30 11.818 3.719 -11.266 1.00 0.55 O ATOM 445 CB ASN A 30 11.654 6.364 -10.524 1.00 0.60 C ATOM 446 CG ASN A 30 11.325 7.847 -10.567 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.348 8.302 -9.973 1.00 1.36 O ATOM 448 ND2 ASN A 30 12.132 8.613 -11.280 1.00 1.44 N ATOM 0 H ASN A 30 8.820 6.100 -9.215 1.00 0.45 H new ATOM 0 HA ASN A 30 9.706 5.804 -11.216 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.292 6.163 -9.663 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.225 6.097 -11.413 1.00 0.60 H new ATOM 0 HD21 ASN A 30 11.954 9.615 -11.351 1.00 1.44 H new ATOM 0 HD22 ASN A 30 12.933 8.202 -11.760 1.00 1.44 H new ATOM 455 N HIS A 31 9.875 3.126 -10.284 1.00 0.46 N ATOM 456 CA HIS A 31 10.034 1.684 -10.482 1.00 0.50 C ATOM 457 C HIS A 31 11.275 1.136 -9.779 1.00 0.55 C ATOM 458 O HIS A 31 11.902 0.192 -10.256 1.00 0.67 O ATOM 459 CB HIS A 31 10.064 1.331 -11.975 1.00 0.60 C ATOM 460 CG HIS A 31 8.768 1.609 -12.673 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.658 0.801 -12.552 1.00 1.25 N ATOM 462 CD2 HIS A 31 8.398 2.628 -13.484 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.666 1.308 -13.255 1.00 1.16 C ATOM 464 NE2 HIS A 31 7.088 2.417 -13.828 1.00 0.94 N ATOM 0 H HIS A 31 9.018 3.380 -9.793 1.00 0.46 H new ATOM 0 HA HIS A 31 9.165 1.208 -10.028 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.859 1.897 -12.460 1.00 0.60 H new ATOM 0 HB3 HIS A 31 10.311 0.275 -12.087 1.00 0.60 H new ATOM 0 HD2 HIS A 31 9.019 3.453 -13.801 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.676 0.887 -13.346 1.00 1.16 H new ATOM 0 HE2 HIS A 31 6.530 3.021 -14.431 1.00 0.94 H new ATOM 473 N ARG A 32 11.627 1.725 -8.642 1.00 0.53 N ATOM 474 CA ARG A 32 12.696 1.180 -7.807 1.00 0.61 C ATOM 475 C ARG A 32 12.178 -0.002 -7.006 1.00 0.56 C ATOM 476 O ARG A 32 12.944 -0.775 -6.438 1.00 0.66 O ATOM 477 CB ARG A 32 13.249 2.241 -6.855 1.00 0.71 C ATOM 478 CG ARG A 32 14.114 3.288 -7.530 1.00 0.81 C ATOM 479 CD ARG A 32 14.608 4.316 -6.533 1.00 1.64 C ATOM 480 NE ARG A 32 15.505 5.286 -7.147 1.00 2.26 N ATOM 481 CZ ARG A 32 15.867 6.431 -6.575 1.00 3.24 C ATOM 482 NH1 ARG A 32 15.363 6.775 -5.395 1.00 3.73 N ATOM 483 NH2 ARG A 32 16.723 7.233 -7.192 1.00 4.08 N ATOM 0 H ARG A 32 11.193 2.573 -8.278 1.00 0.53 H new ATOM 0 HA ARG A 32 13.502 0.853 -8.464 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.416 2.739 -6.359 1.00 0.71 H new ATOM 0 HB3 ARG A 32 13.834 1.748 -6.078 1.00 0.71 H new ATOM 0 HG2 ARG A 32 14.965 2.806 -8.011 1.00 0.81 H new ATOM 0 HG3 ARG A 32 13.543 3.784 -8.315 1.00 0.81 H new ATOM 0 HD2 ARG A 32 13.755 4.836 -6.097 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.125 3.810 -5.717 1.00 1.64 H new ATOM 0 HE ARG A 32 15.878 5.074 -8.072 1.00 2.26 H new ATOM 0 HH11 ARG A 32 14.697 6.161 -4.926 1.00 3.73 H new ATOM 0 HH12 ARG A 32 15.642 7.653 -4.958 1.00 3.73 H new ATOM 0 HH21 ARG A 32 17.102 6.971 -8.102 1.00 4.08 H new ATOM 0 HH22 ARG A 32 17.003 8.112 -6.757 1.00 4.08 H new ATOM 497 N ALA A 33 10.866 -0.123 -6.960 1.00 0.48 N ATOM 498 CA ALA A 33 10.225 -1.219 -6.272 1.00 0.45 C ATOM 499 C ALA A 33 9.109 -1.787 -7.128 1.00 0.43 C ATOM 500 O ALA A 33 8.438 -1.053 -7.856 1.00 0.49 O ATOM 501 CB ALA A 33 9.687 -0.753 -4.928 1.00 0.49 C ATOM 0 H ALA A 33 10.219 0.534 -7.397 1.00 0.48 H new ATOM 0 HA ALA A 33 10.959 -2.005 -6.093 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.206 -1.588 -4.419 1.00 0.49 H new ATOM 0 HB2 ALA A 33 10.509 -0.380 -4.317 1.00 0.49 H new ATOM 0 HB3 ALA A 33 8.960 0.044 -5.084 1.00 0.49 H new ATOM 507 N HIS A 34 8.927 -3.089 -7.053 1.00 0.39 N ATOM 508 CA HIS A 34 7.861 -3.755 -7.777 1.00 0.41 C ATOM 509 C HIS A 34 6.673 -3.931 -6.850 1.00 0.36 C ATOM 510 O HIS A 34 6.822 -4.401 -5.723 1.00 0.34 O ATOM 511 CB HIS A 34 8.333 -5.117 -8.309 1.00 0.48 C ATOM 512 CG HIS A 34 7.317 -5.816 -9.166 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.274 -5.690 -10.538 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.300 -6.652 -8.836 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.276 -6.411 -11.014 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.671 -7.004 -10.002 1.00 0.80 N ATOM 0 H HIS A 34 9.508 -3.713 -6.493 1.00 0.39 H new ATOM 0 HA HIS A 34 7.571 -3.146 -8.633 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.246 -4.975 -8.887 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.586 -5.759 -7.465 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.036 -6.979 -7.841 1.00 0.63 H new ATOM 0 HE1 HIS A 34 6.001 -6.500 -12.055 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.865 -7.625 -10.076 1.00 0.80 H new ATOM 525 N THR A 35 5.499 -3.557 -7.315 1.00 0.38 N ATOM 526 CA THR A 35 4.316 -3.614 -6.485 1.00 0.36 C ATOM 527 C THR A 35 3.362 -4.692 -6.979 1.00 0.39 C ATOM 528 O THR A 35 3.184 -4.880 -8.185 1.00 0.45 O ATOM 529 CB THR A 35 3.605 -2.251 -6.452 1.00 0.41 C ATOM 530 OG1 THR A 35 3.340 -1.801 -7.791 1.00 0.49 O ATOM 531 CG2 THR A 35 4.461 -1.222 -5.730 1.00 0.41 C ATOM 0 H THR A 35 5.340 -3.211 -8.261 1.00 0.38 H new ATOM 0 HA THR A 35 4.629 -3.865 -5.472 1.00 0.36 H new ATOM 0 HB THR A 35 2.663 -2.367 -5.916 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.543 -2.254 -8.136 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.943 -0.263 -5.716 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.641 -1.552 -4.707 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.413 -1.112 -6.249 1.00 0.41 H new ATOM 539 N ASP A 36 2.767 -5.410 -6.041 1.00 0.38 N ATOM 540 CA ASP A 36 1.885 -6.519 -6.370 1.00 0.44 C ATOM 541 C ASP A 36 0.715 -6.557 -5.401 1.00 0.39 C ATOM 542 O ASP A 36 0.906 -6.626 -4.187 1.00 0.47 O ATOM 543 CB ASP A 36 2.658 -7.843 -6.328 1.00 0.56 C ATOM 544 CG ASP A 36 1.783 -9.038 -6.636 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.455 -9.250 -7.823 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.427 -9.778 -5.693 1.00 1.56 O ATOM 0 H ASP A 36 2.879 -5.244 -5.041 1.00 0.38 H new ATOM 0 HA ASP A 36 1.499 -6.376 -7.379 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.478 -7.803 -7.045 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.103 -7.968 -5.341 1.00 0.56 H new ATOM 551 N VAL A 37 -0.490 -6.485 -5.935 1.00 0.37 N ATOM 552 CA VAL A 37 -1.684 -6.471 -5.108 1.00 0.37 C ATOM 553 C VAL A 37 -2.202 -7.880 -4.853 1.00 0.36 C ATOM 554 O VAL A 37 -2.558 -8.603 -5.786 1.00 0.48 O ATOM 555 CB VAL A 37 -2.812 -5.637 -5.751 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.063 -5.665 -4.885 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.358 -4.204 -5.994 1.00 0.54 C ATOM 0 H VAL A 37 -0.669 -6.435 -6.938 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.396 -6.015 -4.161 1.00 0.37 H new ATOM 0 HB VAL A 37 -3.054 -6.083 -6.716 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.846 -5.071 -5.357 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.406 -6.694 -4.774 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.835 -5.250 -3.903 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.171 -3.637 -6.448 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.080 -3.745 -5.045 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.498 -4.203 -6.663 1.00 0.54 H new ATOM 567 N VAL A 38 -2.208 -8.271 -3.590 1.00 0.34 N ATOM 568 CA VAL A 38 -2.885 -9.484 -3.166 1.00 0.36 C ATOM 569 C VAL A 38 -4.386 -9.247 -3.224 1.00 0.42 C ATOM 570 O VAL A 38 -4.957 -8.618 -2.332 1.00 0.46 O ATOM 571 CB VAL A 38 -2.491 -9.886 -1.729 1.00 0.39 C ATOM 572 CG1 VAL A 38 -3.093 -11.231 -1.356 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.981 -9.912 -1.567 1.00 0.46 C ATOM 0 H VAL A 38 -1.748 -7.761 -2.836 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.590 -10.294 -3.833 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.893 -9.134 -1.050 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.800 -11.491 -0.339 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -4.180 -11.173 -1.417 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.731 -11.995 -2.044 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.730 -10.198 -0.546 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.553 -10.634 -2.262 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.575 -8.922 -1.777 1.00 0.46 H new ATOM 583 N GLY A 39 -5.011 -9.715 -4.291 1.00 0.58 N ATOM 584 CA GLY A 39 -6.418 -9.455 -4.493 1.00 0.74 C ATOM 585 C GLY A 39 -7.306 -10.346 -3.654 1.00 0.69 C ATOM 586 O GLY A 39 -6.826 -11.255 -2.976 1.00 0.84 O ATOM 0 H GLY A 39 -4.568 -10.271 -5.022 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.628 -8.412 -4.254 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.661 -9.596 -5.546 1.00 0.74 H new ATOM 682 N THR A 47 -7.467 -8.245 0.990 1.00 0.89 N ATOM 683 CA THR A 47 -6.734 -7.537 -0.043 1.00 0.62 C ATOM 684 C THR A 47 -5.677 -6.624 0.580 1.00 0.51 C ATOM 685 O THR A 47 -5.954 -5.892 1.533 1.00 0.59 O ATOM 686 CB THR A 47 -7.697 -6.714 -0.923 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.740 -7.570 -1.410 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.971 -6.076 -2.104 1.00 0.55 C ATOM 0 HA THR A 47 -6.232 -8.273 -0.671 1.00 0.62 H new ATOM 0 HB THR A 47 -8.116 -5.914 -0.313 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.996 -8.205 -0.709 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.681 -5.504 -2.702 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.190 -5.412 -1.735 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.523 -6.856 -2.720 1.00 0.55 H new ATOM 696 N GLN A 48 -4.469 -6.680 0.036 1.00 0.40 N ATOM 697 CA GLN A 48 -3.343 -5.921 0.563 1.00 0.36 C ATOM 698 C GLN A 48 -2.281 -5.772 -0.518 1.00 0.33 C ATOM 699 O GLN A 48 -2.157 -6.631 -1.387 1.00 0.40 O ATOM 700 CB GLN A 48 -2.758 -6.624 1.795 1.00 0.36 C ATOM 701 CG GLN A 48 -2.277 -8.046 1.527 1.00 0.39 C ATOM 702 CD GLN A 48 -1.830 -8.762 2.789 1.00 0.49 C ATOM 703 OE1 GLN A 48 -2.348 -8.515 3.879 1.00 1.06 O ATOM 704 NE2 GLN A 48 -0.862 -9.658 2.653 1.00 1.04 N ATOM 0 H GLN A 48 -4.242 -7.250 -0.779 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.686 -4.931 0.865 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.924 -6.035 2.175 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.514 -6.649 2.580 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.080 -8.614 1.057 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.450 -8.018 0.818 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -0.457 -9.836 1.734 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -0.522 -10.169 3.468 1.00 1.04 H new ATOM 713 N VAL A 49 -1.524 -4.689 -0.483 1.00 0.29 N ATOM 714 CA VAL A 49 -0.523 -4.453 -1.510 1.00 0.29 C ATOM 715 C VAL A 49 0.889 -4.553 -0.941 1.00 0.28 C ATOM 716 O VAL A 49 1.226 -3.905 0.052 1.00 0.30 O ATOM 717 CB VAL A 49 -0.728 -3.089 -2.214 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.612 -1.932 -1.234 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.262 -2.920 -3.358 1.00 0.36 C ATOM 0 H VAL A 49 -1.581 -3.967 0.235 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.648 -5.235 -2.259 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.738 -3.078 -2.623 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.761 -0.991 -1.763 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.370 -2.036 -0.457 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.378 -1.939 -0.778 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.101 -1.955 -3.839 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.279 -2.966 -2.969 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.116 -3.718 -4.086 1.00 0.36 H new ATOM 729 N ARG A 50 1.693 -5.407 -1.553 1.00 0.31 N ATOM 730 CA ARG A 50 3.082 -5.557 -1.157 1.00 0.30 C ATOM 731 C ARG A 50 3.984 -4.730 -2.062 1.00 0.27 C ATOM 732 O ARG A 50 3.796 -4.686 -3.281 1.00 0.30 O ATOM 733 CB ARG A 50 3.511 -7.030 -1.191 1.00 0.34 C ATOM 734 CG ARG A 50 3.376 -7.673 -2.562 1.00 0.39 C ATOM 735 CD ARG A 50 3.925 -9.092 -2.590 1.00 0.52 C ATOM 736 NE ARG A 50 3.297 -9.952 -1.588 1.00 1.34 N ATOM 737 CZ ARG A 50 2.368 -10.867 -1.865 1.00 1.60 C ATOM 738 NH1 ARG A 50 1.870 -10.976 -3.094 1.00 1.15 N ATOM 739 NH2 ARG A 50 1.912 -11.654 -0.900 1.00 2.62 N ATOM 0 H ARG A 50 1.407 -6.007 -2.327 1.00 0.31 H new ATOM 0 HA ARG A 50 3.179 -5.196 -0.133 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.548 -7.105 -0.865 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.910 -7.591 -0.475 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.326 -7.686 -2.853 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.903 -7.067 -3.299 1.00 0.39 H new ATOM 0 HD2 ARG A 50 3.770 -9.519 -3.581 1.00 0.52 H new ATOM 0 HD3 ARG A 50 5.001 -9.066 -2.419 1.00 0.52 H new ATOM 0 HE ARG A 50 3.588 -9.845 -0.616 1.00 1.34 H new ATOM 0 HH11 ARG A 50 2.199 -10.356 -3.834 1.00 1.15 H new ATOM 0 HH12 ARG A 50 1.159 -11.679 -3.296 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.272 -11.558 0.049 1.00 2.62 H new ATOM 0 HH22 ARG A 50 1.201 -12.356 -1.107 1.00 2.62 H new ATOM 753 N ILE A 51 4.944 -4.061 -1.454 1.00 0.24 N ATOM 754 CA ILE A 51 5.931 -3.295 -2.187 1.00 0.23 C ATOM 755 C ILE A 51 7.309 -3.888 -1.931 1.00 0.24 C ATOM 756 O ILE A 51 7.819 -3.834 -0.810 1.00 0.27 O ATOM 757 CB ILE A 51 5.916 -1.810 -1.767 1.00 0.28 C ATOM 758 CG1 ILE A 51 4.496 -1.247 -1.873 1.00 0.34 C ATOM 759 CG2 ILE A 51 6.874 -1.003 -2.633 1.00 0.31 C ATOM 760 CD1 ILE A 51 4.345 0.139 -1.287 1.00 0.42 C ATOM 0 H ILE A 51 5.061 -4.033 -0.441 1.00 0.24 H new ATOM 0 HA ILE A 51 5.690 -3.344 -3.249 1.00 0.23 H new ATOM 0 HB ILE A 51 6.245 -1.736 -0.730 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.202 -1.222 -2.922 1.00 0.34 H new ATOM 0 HG13 ILE A 51 3.808 -1.923 -1.365 1.00 0.34 H new ATOM 0 HG21 ILE A 51 6.851 0.042 -2.324 1.00 0.31 H new ATOM 0 HG22 ILE A 51 7.885 -1.394 -2.518 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.572 -1.079 -3.678 1.00 0.31 H new ATOM 0 HD11 ILE A 51 3.313 0.471 -1.399 1.00 0.42 H new ATOM 0 HD12 ILE A 51 4.606 0.117 -0.229 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.007 0.829 -1.810 1.00 0.42 H new ATOM 772 N VAL A 52 7.893 -4.471 -2.962 1.00 0.24 N ATOM 773 CA VAL A 52 9.159 -5.174 -2.826 1.00 0.30 C ATOM 774 C VAL A 52 10.238 -4.490 -3.654 1.00 0.34 C ATOM 775 O VAL A 52 10.002 -4.114 -4.801 1.00 0.33 O ATOM 776 CB VAL A 52 9.031 -6.650 -3.276 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.309 -7.425 -2.990 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.838 -7.322 -2.609 1.00 0.38 C ATOM 0 H VAL A 52 7.510 -4.472 -3.907 1.00 0.24 H new ATOM 0 HA VAL A 52 9.436 -5.151 -1.772 1.00 0.30 H new ATOM 0 HB VAL A 52 8.867 -6.653 -4.354 1.00 0.36 H new ATOM 0 HG11 VAL A 52 10.189 -8.458 -3.317 1.00 0.46 H new ATOM 0 HG12 VAL A 52 11.140 -6.968 -3.528 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.515 -7.405 -1.920 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.771 -8.358 -2.942 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.964 -7.296 -1.527 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.924 -6.794 -2.880 1.00 0.38 H new ATOM 788 N ALA A 53 11.419 -4.341 -3.078 1.00 0.42 N ATOM 789 CA ALA A 53 12.529 -3.714 -3.777 1.00 0.53 C ATOM 790 C ALA A 53 13.779 -4.576 -3.671 1.00 0.73 C ATOM 791 O ALA A 53 14.636 -4.343 -2.820 1.00 0.93 O ATOM 792 CB ALA A 53 12.795 -2.315 -3.235 1.00 0.70 C ATOM 0 H ALA A 53 11.634 -4.645 -2.129 1.00 0.42 H new ATOM 0 HA ALA A 53 12.259 -3.622 -4.829 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.630 -1.868 -3.775 1.00 0.70 H new ATOM 0 HB2 ALA A 53 11.906 -1.698 -3.367 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.040 -2.376 -2.175 1.00 0.70 H new ATOM 941 N ALA A 63 21.086 -6.209 5.515 1.00 0.92 N ATOM 942 CA ALA A 63 20.873 -7.462 4.803 1.00 0.91 C ATOM 943 C ALA A 63 19.389 -7.791 4.683 1.00 0.78 C ATOM 944 O ALA A 63 18.996 -8.956 4.703 1.00 0.94 O ATOM 945 CB ALA A 63 21.614 -8.592 5.502 1.00 1.16 C ATOM 0 HA ALA A 63 21.268 -7.348 3.793 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.448 -9.524 4.962 1.00 1.16 H new ATOM 0 HB2 ALA A 63 22.681 -8.369 5.523 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.244 -8.693 6.522 1.00 1.16 H new ATOM 951 N HIS A 64 18.568 -6.762 4.555 1.00 0.60 N ATOM 952 CA HIS A 64 17.130 -6.942 4.415 1.00 0.51 C ATOM 953 C HIS A 64 16.594 -6.137 3.243 1.00 0.47 C ATOM 954 O HIS A 64 16.694 -4.908 3.229 1.00 0.48 O ATOM 955 CB HIS A 64 16.394 -6.537 5.695 1.00 0.54 C ATOM 956 CG HIS A 64 16.406 -7.587 6.761 1.00 0.73 C ATOM 957 ND1 HIS A 64 15.331 -8.414 7.013 1.00 0.99 N ATOM 958 CD2 HIS A 64 17.366 -7.944 7.645 1.00 1.01 C ATOM 959 CE1 HIS A 64 15.631 -9.231 8.003 1.00 1.13 C ATOM 960 NE2 HIS A 64 16.858 -8.967 8.404 1.00 1.10 N ATOM 0 H HIS A 64 18.873 -5.789 4.545 1.00 0.60 H new ATOM 0 HA HIS A 64 16.952 -8.001 4.229 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.847 -5.627 6.090 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.360 -6.297 5.447 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.349 -7.505 7.736 1.00 1.01 H new ATOM 0 HE1 HIS A 64 14.981 -9.989 8.416 1.00 1.13 H new ATOM 0 HE2 HIS A 64 17.351 -9.446 9.158 1.00 1.10 H new ATOM 969 N PRO A 65 16.033 -6.823 2.238 1.00 0.58 N ATOM 970 CA PRO A 65 15.379 -6.169 1.108 1.00 0.64 C ATOM 971 C PRO A 65 14.033 -5.584 1.521 1.00 0.53 C ATOM 972 O PRO A 65 13.413 -6.051 2.481 1.00 0.54 O ATOM 973 CB PRO A 65 15.191 -7.306 0.100 1.00 0.84 C ATOM 974 CG PRO A 65 15.116 -8.540 0.928 1.00 1.08 C ATOM 975 CD PRO A 65 15.993 -8.296 2.126 1.00 0.77 C ATOM 0 HA PRO A 65 15.956 -5.335 0.709 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.283 -7.168 -0.487 1.00 0.84 H new ATOM 0 HB3 PRO A 65 16.022 -7.352 -0.604 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.089 -8.743 1.232 1.00 1.08 H new ATOM 0 HG3 PRO A 65 15.459 -9.408 0.365 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.580 -8.755 3.024 1.00 0.77 H new ATOM 0 HD3 PRO A 65 16.990 -8.714 1.984 1.00 0.77 H new ATOM 983 N LEU A 66 13.591 -4.555 0.816 1.00 0.50 N ATOM 984 CA LEU A 66 12.327 -3.911 1.134 1.00 0.44 C ATOM 985 C LEU A 66 11.154 -4.842 0.852 1.00 0.35 C ATOM 986 O LEU A 66 10.927 -5.244 -0.288 1.00 0.37 O ATOM 987 CB LEU A 66 12.168 -2.618 0.338 1.00 0.52 C ATOM 988 CG LEU A 66 10.817 -1.914 0.495 1.00 0.71 C ATOM 989 CD1 LEU A 66 10.609 -1.450 1.927 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.716 -0.744 -0.466 1.00 1.05 C ATOM 0 H LEU A 66 14.087 -4.149 0.022 1.00 0.50 H new ATOM 0 HA LEU A 66 12.332 -3.673 2.198 1.00 0.44 H new ATOM 0 HB2 LEU A 66 12.956 -1.927 0.638 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.323 -2.840 -0.718 1.00 0.52 H new ATOM 0 HG LEU A 66 10.030 -2.629 0.256 1.00 0.71 H new ATOM 0 HD11 LEU A 66 9.642 -0.953 2.012 1.00 1.20 H new ATOM 0 HD12 LEU A 66 10.635 -2.310 2.596 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.401 -0.753 2.202 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.750 -0.254 -0.342 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.514 -0.031 -0.257 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.811 -1.105 -1.490 1.00 1.05 H new ATOM 1002 N ASN A 67 10.430 -5.191 1.904 1.00 0.32 N ATOM 1003 CA ASN A 67 9.219 -5.988 1.779 1.00 0.31 C ATOM 1004 C ASN A 67 8.132 -5.378 2.653 1.00 0.30 C ATOM 1005 O ASN A 67 8.053 -5.654 3.853 1.00 0.40 O ATOM 1006 CB ASN A 67 9.476 -7.441 2.196 1.00 0.42 C ATOM 1007 CG ASN A 67 8.355 -8.377 1.773 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.425 -9.006 0.716 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.313 -8.467 2.586 1.00 0.54 N ATOM 0 H ASN A 67 10.663 -4.932 2.863 1.00 0.32 H new ATOM 0 HA ASN A 67 8.899 -5.989 0.737 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.414 -7.781 1.756 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.596 -7.489 3.278 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.530 -9.074 2.346 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.294 -7.929 3.452 1.00 0.54 H new ATOM 1016 N LEU A 68 7.323 -4.523 2.053 1.00 0.26 N ATOM 1017 CA LEU A 68 6.296 -3.794 2.782 1.00 0.24 C ATOM 1018 C LEU A 68 4.907 -4.336 2.467 1.00 0.23 C ATOM 1019 O LEU A 68 4.556 -4.532 1.308 1.00 0.25 O ATOM 1020 CB LEU A 68 6.381 -2.302 2.432 1.00 0.26 C ATOM 1021 CG LEU A 68 5.222 -1.427 2.920 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.127 -1.442 4.434 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.394 -0.004 2.419 1.00 0.32 C ATOM 0 H LEU A 68 7.357 -4.314 1.055 1.00 0.26 H new ATOM 0 HA LEU A 68 6.468 -3.926 3.850 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.308 -1.905 2.846 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.449 -2.207 1.348 1.00 0.26 H new ATOM 0 HG LEU A 68 4.295 -1.836 2.519 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.296 -0.813 4.753 1.00 0.31 H new ATOM 0 HD12 LEU A 68 4.962 -2.463 4.778 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.055 -1.061 4.861 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.565 0.609 2.772 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.332 0.403 2.796 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.409 -0.001 1.329 1.00 0.32 H new ATOM 1035 N ALA A 69 4.133 -4.587 3.512 1.00 0.24 N ATOM 1036 CA ALA A 69 2.751 -5.012 3.352 1.00 0.25 C ATOM 1037 C ALA A 69 1.800 -3.959 3.906 1.00 0.24 C ATOM 1038 O ALA A 69 1.690 -3.777 5.121 1.00 0.28 O ATOM 1039 CB ALA A 69 2.521 -6.351 4.036 1.00 0.30 C ATOM 0 H ALA A 69 4.439 -4.503 4.481 1.00 0.24 H new ATOM 0 HA ALA A 69 2.550 -5.131 2.287 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.482 -6.652 3.906 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.175 -7.103 3.594 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.741 -6.259 5.100 1.00 0.30 H new ATOM 1045 N LEU A 70 1.129 -3.259 3.005 1.00 0.22 N ATOM 1046 CA LEU A 70 0.200 -2.199 3.379 1.00 0.22 C ATOM 1047 C LEU A 70 -1.207 -2.751 3.537 1.00 0.23 C ATOM 1048 O LEU A 70 -1.736 -3.388 2.622 1.00 0.28 O ATOM 1049 CB LEU A 70 0.193 -1.097 2.311 1.00 0.23 C ATOM 1050 CG LEU A 70 1.486 -0.286 2.173 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.410 0.619 0.958 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.736 0.540 3.422 1.00 0.25 C ATOM 0 H LEU A 70 1.211 -3.407 1.999 1.00 0.22 H new ATOM 0 HA LEU A 70 0.529 -1.782 4.331 1.00 0.22 H new ATOM 0 HB2 LEU A 70 -0.030 -1.554 1.347 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.622 -0.408 2.533 1.00 0.23 H new ATOM 0 HG LEU A 70 2.315 -0.982 2.046 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.335 1.190 0.871 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.271 0.014 0.062 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.569 1.304 1.067 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.659 1.108 3.304 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.904 1.227 3.576 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.825 -0.121 4.284 1.00 0.25 H new ATOM 1064 N THR A 71 -1.813 -2.509 4.693 1.00 0.21 N ATOM 1065 CA THR A 71 -3.180 -2.935 4.942 1.00 0.23 C ATOM 1066 C THR A 71 -3.987 -1.772 5.516 1.00 0.22 C ATOM 1067 O THR A 71 -3.432 -0.912 6.204 1.00 0.21 O ATOM 1068 CB THR A 71 -3.222 -4.130 5.918 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.500 -3.813 7.115 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.619 -5.377 5.286 1.00 0.52 C ATOM 0 H THR A 71 -1.376 -2.018 5.473 1.00 0.21 H new ATOM 0 HA THR A 71 -3.616 -3.252 3.995 1.00 0.23 H new ATOM 0 HB THR A 71 -4.267 -4.329 6.157 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.802 -3.156 6.912 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.662 -6.202 5.997 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.182 -5.639 4.390 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.580 -5.183 5.018 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.287 -1.748 5.245 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.133 -0.643 5.679 1.00 0.27 C ATOM 1080 C TRP A 72 -7.390 -1.157 6.372 1.00 0.28 C ATOM 1081 O TRP A 72 -7.852 -2.271 6.111 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.512 0.246 4.487 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.344 0.961 3.874 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.823 2.164 4.259 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.554 0.524 2.763 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.756 2.496 3.462 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.572 1.507 2.536 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.579 -0.604 1.940 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.630 1.396 1.522 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.639 -0.713 0.932 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.676 0.284 0.733 1.00 0.31 C ATOM 0 H TRP A 72 -5.777 -2.479 4.728 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.566 -0.048 6.395 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.992 -0.368 3.725 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.247 0.982 4.813 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.197 2.767 5.073 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.193 3.342 3.547 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.319 -1.377 2.088 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.887 2.163 1.363 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.648 -1.580 0.288 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.954 0.170 -0.062 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.921 -0.329 7.264 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.105 -0.663 8.048 1.00 0.35 C ATOM 1104 C ASN A 73 -10.327 -0.840 7.155 1.00 0.31 C ATOM 1105 O ASN A 73 -10.644 0.021 6.332 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.368 0.439 9.076 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.269 0.539 10.119 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.661 -0.464 10.500 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.993 1.754 10.572 1.00 0.94 N ATOM 0 H ASN A 73 -7.541 0.596 7.465 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.921 -1.608 8.560 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.464 1.395 8.562 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.319 0.248 9.573 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.253 1.885 11.262 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.520 2.558 10.230 1.00 0.94 H new ATOM 1116 N THR A 74 -11.013 -1.964 7.344 1.00 0.36 N ATOM 1117 CA THR A 74 -12.162 -2.334 6.527 1.00 0.38 C ATOM 1118 C THR A 74 -13.290 -1.302 6.629 1.00 0.37 C ATOM 1119 O THR A 74 -14.083 -1.147 5.699 1.00 0.38 O ATOM 1120 CB THR A 74 -12.689 -3.725 6.936 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.585 -4.635 7.059 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.676 -4.267 5.911 1.00 0.71 C ATOM 0 H THR A 74 -10.786 -2.644 8.070 1.00 0.36 H new ATOM 0 HA THR A 74 -11.826 -2.364 5.491 1.00 0.38 H new ATOM 0 HB THR A 74 -13.206 -3.627 7.890 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.917 -5.519 7.321 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.028 -5.248 6.229 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.524 -3.587 5.827 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.184 -4.354 4.943 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.368 -0.606 7.759 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.347 0.467 7.930 1.00 0.45 C ATOM 1132 C ASP A 75 -14.110 1.573 6.911 1.00 0.40 C ATOM 1133 O ASP A 75 -15.040 2.026 6.239 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.278 1.050 9.345 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.786 0.095 10.403 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -14.038 -0.826 10.792 1.00 1.98 O ATOM 1137 OD2 ASP A 75 -15.936 0.264 10.861 1.00 1.37 O ATOM 0 H ASP A 75 -12.768 -0.763 8.569 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.338 0.042 7.773 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.246 1.319 9.571 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.863 1.969 9.382 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.860 2.014 6.820 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.473 3.028 5.851 1.00 0.44 C ATOM 1144 C GLU A 76 -12.730 2.546 4.423 1.00 0.38 C ATOM 1145 O GLU A 76 -13.213 3.305 3.585 1.00 0.41 O ATOM 1146 CB GLU A 76 -11.000 3.402 6.024 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.612 4.677 5.294 1.00 0.85 C ATOM 1148 CD GLU A 76 -11.279 5.906 5.878 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -12.510 6.059 5.724 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -10.573 6.723 6.504 1.00 1.25 O ATOM 0 H GLU A 76 -12.096 1.682 7.409 1.00 0.39 H new ATOM 0 HA GLU A 76 -13.083 3.913 6.030 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.785 3.520 7.086 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.380 2.582 5.663 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -9.530 4.801 5.335 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -10.882 4.586 4.242 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.414 1.280 4.153 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.678 0.685 2.840 1.00 0.34 C ATOM 1159 C ILE A 77 -14.167 0.769 2.503 1.00 0.34 C ATOM 1160 O ILE A 77 -14.548 1.054 1.369 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.227 -0.798 2.787 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.731 -0.924 3.116 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.524 -1.404 1.417 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.222 -2.355 3.101 1.00 0.40 C ATOM 0 H ILE A 77 -11.976 0.647 4.822 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.103 1.251 2.107 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.792 -1.350 3.538 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.159 -0.337 2.398 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.547 -0.492 4.100 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.200 -2.445 1.401 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.595 -1.355 1.222 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.989 -0.846 0.649 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.159 -2.366 3.342 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.767 -2.943 3.839 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.374 -2.785 2.111 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.997 0.538 3.511 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.443 0.649 3.376 1.00 0.37 C ATOM 1178 C GLU A 78 -16.835 2.071 2.973 1.00 0.38 C ATOM 1179 O GLU A 78 -17.709 2.277 2.129 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.099 0.285 4.708 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.611 0.400 4.722 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.167 0.308 6.123 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.032 -0.762 6.751 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.725 1.311 6.609 1.00 2.15 O ATOM 0 H GLU A 78 -14.687 0.269 4.445 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.784 -0.034 2.598 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.824 -0.738 4.966 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.692 0.930 5.486 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.908 1.349 4.275 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -19.041 -0.391 4.107 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.168 3.043 3.580 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.434 4.452 3.314 1.00 0.45 C ATOM 1193 C ARG A 79 -16.110 4.824 1.873 1.00 0.42 C ATOM 1194 O ARG A 79 -16.727 5.728 1.314 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.633 5.342 4.267 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.244 5.474 5.656 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.614 6.134 5.596 1.00 1.60 C ATOM 1198 NE ARG A 79 -17.572 7.416 4.891 1.00 2.14 N ATOM 1199 CZ ARG A 79 -18.630 7.984 4.308 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -19.820 7.403 4.368 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -18.498 9.140 3.673 1.00 3.96 N ATOM 0 H ARG A 79 -15.432 2.880 4.267 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.499 4.615 3.477 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -14.625 4.939 4.362 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -15.539 6.335 3.827 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -16.332 4.488 6.112 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -15.582 6.061 6.293 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -18.316 5.467 5.096 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -17.987 6.289 6.608 1.00 1.60 H new ATOM 0 HE ARG A 79 -16.679 7.906 4.842 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -19.931 6.517 4.862 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -20.625 7.842 3.921 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -17.587 9.597 3.629 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -19.307 9.573 3.228 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.153 4.115 1.278 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.699 4.411 -0.082 1.00 0.44 C ATOM 1217 C LEU A 80 -15.827 4.242 -1.096 1.00 0.47 C ATOM 1218 O LEU A 80 -15.752 4.756 -2.212 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.526 3.506 -0.478 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.292 3.577 0.430 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.167 2.731 -0.148 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.834 5.018 0.622 1.00 0.55 C ATOM 0 H LEU A 80 -14.675 3.328 1.717 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.372 5.451 -0.089 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.879 2.475 -0.500 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.222 3.761 -1.493 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.564 3.180 1.408 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.296 2.789 0.505 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.494 1.694 -0.225 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.904 3.103 -1.138 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.958 5.038 1.270 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.580 5.451 -0.345 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.636 5.597 1.079 1.00 0.55 H new ATOM 1234 N MET A 81 -16.866 3.510 -0.709 1.00 0.49 N ATOM 1235 CA MET A 81 -17.996 3.260 -1.596 1.00 0.57 C ATOM 1236 C MET A 81 -18.893 4.487 -1.730 1.00 0.53 C ATOM 1237 O MET A 81 -19.729 4.556 -2.629 1.00 0.61 O ATOM 1238 CB MET A 81 -18.817 2.067 -1.094 1.00 0.67 C ATOM 1239 CG MET A 81 -18.028 0.768 -1.042 1.00 0.79 C ATOM 1240 SD MET A 81 -19.061 -0.665 -0.681 1.00 1.85 S ATOM 1241 CE MET A 81 -19.596 -0.293 0.987 1.00 2.59 C ATOM 0 H MET A 81 -16.949 3.080 0.212 1.00 0.49 H new ATOM 0 HA MET A 81 -17.591 3.031 -2.582 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.198 2.292 -0.098 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.682 1.932 -1.743 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.525 0.616 -1.997 1.00 0.79 H new ATOM 0 HG3 MET A 81 -17.251 0.851 -0.282 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.014 -1.190 1.444 1.00 2.59 H new ATOM 0 HE2 MET A 81 -18.744 0.050 1.574 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.356 0.488 0.960 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.714 5.452 -0.844 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.529 6.658 -0.856 1.00 0.48 C ATOM 1253 C GLU A 82 -18.827 7.780 -1.615 1.00 0.43 C ATOM 1254 O GLU A 82 -17.632 7.680 -1.897 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.838 7.099 0.580 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.714 6.121 1.340 1.00 1.21 C ATOM 1257 CD GLU A 82 -22.121 6.042 0.786 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.331 5.348 -0.233 1.00 2.34 O ATOM 1259 OE2 GLU A 82 -23.027 6.668 1.372 1.00 1.61 O ATOM 0 H GLU A 82 -18.011 5.425 -0.106 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.465 6.436 -1.368 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.901 7.230 1.121 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.330 8.071 0.555 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -20.259 5.131 1.307 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.757 6.417 2.388 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.561 8.839 -1.946 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.982 9.973 -2.664 1.00 0.61 C ATOM 1268 C ALA A 83 -17.823 10.588 -1.878 1.00 0.55 C ATOM 1269 O ALA A 83 -16.728 10.780 -2.418 1.00 0.57 O ATOM 1270 CB ALA A 83 -20.048 11.019 -2.960 1.00 0.79 C ATOM 0 H ALA A 83 -20.553 8.937 -1.730 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.586 9.607 -3.611 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.598 11.856 -3.495 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.832 10.576 -3.573 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.478 11.376 -2.024 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.055 10.865 -0.594 1.00 0.57 N ATOM 1277 CA ASP A 84 -17.009 11.401 0.279 1.00 0.61 C ATOM 1278 C ASP A 84 -15.908 10.373 0.485 1.00 0.49 C ATOM 1279 O ASP A 84 -14.808 10.702 0.926 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.573 11.823 1.640 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.450 13.053 1.557 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -17.913 14.179 1.630 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -19.683 12.899 1.414 1.00 1.76 O ATOM 0 H ASP A 84 -18.956 10.727 -0.136 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.597 12.283 -0.212 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.150 10.999 2.060 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.748 12.017 2.326 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.207 9.132 0.142 1.00 0.43 N ATOM 1289 CA GLY A 85 -15.238 8.073 0.267 1.00 0.41 C ATOM 1290 C GLY A 85 -14.197 8.166 -0.819 1.00 0.38 C ATOM 1291 O GLY A 85 -13.001 8.067 -0.552 1.00 0.39 O ATOM 0 H GLY A 85 -17.113 8.840 -0.224 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.757 8.128 1.243 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.740 7.107 0.213 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.652 8.359 -2.053 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.756 8.651 -3.162 1.00 0.46 C ATOM 1297 C ALA A 86 -12.909 9.886 -2.863 1.00 0.45 C ATOM 1298 O ALA A 86 -11.723 9.930 -3.188 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.551 8.845 -4.444 1.00 0.57 C ATOM 0 H ALA A 86 -15.639 8.318 -2.309 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.083 7.803 -3.294 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.869 9.063 -5.266 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.109 7.936 -4.667 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.246 9.676 -4.319 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.520 10.871 -2.211 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.815 12.092 -1.836 1.00 0.53 C ATOM 1307 C ALA A 87 -11.749 11.793 -0.783 1.00 0.48 C ATOM 1308 O ALA A 87 -10.695 12.433 -0.742 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.794 13.139 -1.326 1.00 0.63 C ATOM 0 H ALA A 87 -14.501 10.847 -1.932 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.320 12.490 -2.722 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.250 14.043 -1.051 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.516 13.374 -2.108 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.319 12.752 -0.453 1.00 0.63 H new ATOM 1315 N ARG A 88 -12.031 10.803 0.057 1.00 0.45 N ATOM 1316 CA ARG A 88 -11.099 10.364 1.088 1.00 0.48 C ATOM 1317 C ARG A 88 -9.873 9.732 0.431 1.00 0.40 C ATOM 1318 O ARG A 88 -8.735 9.993 0.822 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.794 9.356 2.016 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.985 8.938 3.240 1.00 0.96 C ATOM 1321 CD ARG A 88 -10.966 10.021 4.311 1.00 1.41 C ATOM 1322 NE ARG A 88 -10.206 11.199 3.898 1.00 1.91 N ATOM 1323 CZ ARG A 88 -10.604 12.456 4.106 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -11.741 12.701 4.745 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -9.858 13.465 3.684 1.00 3.71 N ATOM 0 H ARG A 88 -12.909 10.284 0.042 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.777 11.220 1.682 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.737 9.786 2.353 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -12.039 8.464 1.440 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -11.406 8.023 3.657 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.963 8.709 2.938 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.989 10.315 4.544 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -10.534 9.616 5.226 1.00 1.41 H new ATOM 0 HE ARG A 88 -9.316 11.051 3.421 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -12.315 11.927 5.080 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -12.041 13.663 4.902 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -8.979 13.282 3.200 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -10.162 14.426 3.843 1.00 3.71 H new ATOM 1339 N PHE A 89 -10.125 8.930 -0.599 1.00 0.35 N ATOM 1340 CA PHE A 89 -9.068 8.250 -1.343 1.00 0.34 C ATOM 1341 C PHE A 89 -8.180 9.256 -2.070 1.00 0.33 C ATOM 1342 O PHE A 89 -6.954 9.135 -2.066 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.689 7.273 -2.350 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.686 6.472 -3.133 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.019 5.406 -2.549 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.416 6.779 -4.458 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.104 4.666 -3.269 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.503 6.041 -5.181 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.847 4.984 -4.588 1.00 0.58 C ATOM 0 H PHE A 89 -11.065 8.733 -0.942 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.449 7.697 -0.637 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.347 6.587 -1.815 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.312 7.834 -3.046 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.218 5.152 -1.518 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.927 7.606 -4.929 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.590 3.839 -2.802 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.302 6.291 -6.212 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.133 4.405 -5.154 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.806 10.261 -2.674 1.00 0.35 N ATOM 1360 CA GLU A 90 -8.080 11.290 -3.409 1.00 0.39 C ATOM 1361 C GLU A 90 -7.157 12.067 -2.481 1.00 0.38 C ATOM 1362 O GLU A 90 -6.055 12.472 -2.870 1.00 0.41 O ATOM 1363 CB GLU A 90 -9.064 12.244 -4.090 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.252 11.982 -5.575 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.440 10.518 -5.904 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -10.586 10.032 -5.822 1.00 2.10 O ATOM 1367 OE2 GLU A 90 -8.443 9.843 -6.233 1.00 1.67 O ATOM 0 H GLU A 90 -9.818 10.385 -2.668 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.471 10.802 -4.171 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -10.031 12.168 -3.593 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.715 13.268 -3.953 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.118 12.541 -5.929 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -8.385 12.361 -6.116 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.614 12.268 -1.254 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.841 12.985 -0.253 1.00 0.44 C ATOM 1376 C ARG A 91 -5.626 12.163 0.171 1.00 0.37 C ATOM 1377 O ARG A 91 -4.569 12.710 0.481 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.720 13.297 0.960 1.00 0.53 C ATOM 1379 CG ARG A 91 -7.044 14.158 2.013 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.665 15.521 1.465 1.00 1.31 C ATOM 1381 NE ARG A 91 -6.193 16.414 2.516 1.00 2.11 N ATOM 1382 CZ ARG A 91 -6.230 17.740 2.427 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -6.672 18.319 1.318 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -5.820 18.488 3.443 1.00 4.06 N ATOM 0 H ARG A 91 -8.523 11.942 -0.927 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.490 13.922 -0.685 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.624 13.802 0.619 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.032 12.359 1.419 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.712 14.281 2.866 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.151 13.652 2.379 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.888 15.406 0.709 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -7.528 15.966 0.970 1.00 1.31 H new ATOM 0 HE ARG A 91 -5.813 15.999 3.367 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -6.984 17.747 0.533 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -6.700 19.336 1.250 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -5.475 18.046 4.295 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -5.849 19.505 3.372 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.780 10.845 0.154 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.709 9.946 0.554 1.00 0.32 C ATOM 1400 C TYR A 92 -3.612 9.932 -0.501 1.00 0.30 C ATOM 1401 O TYR A 92 -2.425 9.887 -0.175 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.255 8.531 0.771 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.208 7.520 1.199 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.728 7.498 2.504 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.707 6.584 0.300 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -2.780 6.574 2.898 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.758 5.658 0.690 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.300 5.658 1.989 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.360 4.736 2.385 1.00 0.64 O ATOM 0 H TYR A 92 -6.639 10.376 -0.133 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.286 10.303 1.493 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.039 8.568 1.527 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.720 8.187 -0.153 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.102 8.214 3.220 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.065 6.581 -0.719 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.417 6.570 3.915 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.378 4.938 -0.020 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.126 4.161 1.627 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.013 9.985 -1.767 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.059 9.994 -2.868 1.00 0.34 C ATOM 1421 C LEU A 93 -2.200 11.251 -2.813 1.00 0.35 C ATOM 1422 O LEU A 93 -0.998 11.211 -3.081 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.774 9.916 -4.221 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.633 8.669 -4.451 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.247 8.705 -5.839 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.813 7.399 -4.268 1.00 0.44 C ATOM 0 H LEU A 93 -4.991 10.022 -2.055 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.422 9.116 -2.764 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.409 10.796 -4.326 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.024 9.968 -5.010 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.433 8.665 -3.710 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -5.855 7.813 -5.991 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.872 9.592 -5.937 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.455 8.735 -6.587 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.447 6.529 -4.437 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -2.989 7.392 -4.982 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.415 7.366 -3.254 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.824 12.367 -2.466 1.00 0.36 N ATOM 1439 CA ALA A 94 -2.121 13.635 -2.353 1.00 0.39 C ATOM 1440 C ALA A 94 -1.095 13.619 -1.222 1.00 0.37 C ATOM 1441 O ALA A 94 -0.146 14.408 -1.223 1.00 0.44 O ATOM 1442 CB ALA A 94 -3.117 14.761 -2.135 1.00 0.43 C ATOM 0 H ALA A 94 -3.821 12.419 -2.257 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.581 13.798 -3.285 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -2.583 15.708 -2.051 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.806 14.806 -2.979 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.678 14.578 -1.218 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.278 12.720 -0.266 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.412 12.668 0.900 1.00 0.35 C ATOM 1450 C ALA A 95 0.575 11.510 0.824 1.00 0.33 C ATOM 1451 O ALA A 95 1.283 11.237 1.792 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.241 12.564 2.165 1.00 0.40 C ATOM 0 H ALA A 95 -2.018 12.018 -0.276 1.00 0.33 H new ATOM 0 HA ALA A 95 0.165 13.593 0.921 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.580 12.526 3.031 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.894 13.433 2.245 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.846 11.658 2.130 1.00 0.40 H new ATOM 1458 N LEU A 96 0.627 10.840 -0.322 1.00 0.35 N ATOM 1459 CA LEU A 96 1.562 9.728 -0.518 1.00 0.36 C ATOM 1460 C LEU A 96 3.006 10.133 -0.195 1.00 0.35 C ATOM 1461 O LEU A 96 3.664 9.453 0.587 1.00 0.34 O ATOM 1462 CB LEU A 96 1.479 9.167 -1.944 1.00 0.44 C ATOM 1463 CG LEU A 96 0.164 8.481 -2.307 1.00 0.49 C ATOM 1464 CD1 LEU A 96 0.174 8.061 -3.768 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.088 7.277 -1.408 1.00 0.49 C ATOM 0 H LEU A 96 0.037 11.043 -1.129 1.00 0.35 H new ATOM 0 HA LEU A 96 1.265 8.945 0.179 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.649 9.983 -2.647 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.291 8.453 -2.082 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.647 9.193 -2.153 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.770 7.573 -4.013 1.00 0.56 H new ATOM 0 HD12 LEU A 96 0.302 8.941 -4.399 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.997 7.367 -3.942 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.031 6.806 -1.687 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.725 6.560 -1.524 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.139 7.603 -0.369 1.00 0.49 H new ATOM 1477 N PRO A 97 3.527 11.247 -0.765 1.00 0.37 N ATOM 1478 CA PRO A 97 4.899 11.698 -0.484 1.00 0.39 C ATOM 1479 C PRO A 97 5.121 12.008 0.998 1.00 0.35 C ATOM 1480 O PRO A 97 6.231 11.858 1.515 1.00 0.36 O ATOM 1481 CB PRO A 97 5.047 12.974 -1.324 1.00 0.46 C ATOM 1482 CG PRO A 97 3.650 13.411 -1.608 1.00 0.46 C ATOM 1483 CD PRO A 97 2.854 12.146 -1.723 1.00 0.42 C ATOM 0 HA PRO A 97 5.631 10.928 -0.728 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.599 13.742 -0.782 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.595 12.779 -2.246 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.266 14.045 -0.809 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.599 13.992 -2.529 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.807 12.302 -1.464 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.875 11.746 -2.737 1.00 0.42 H new ATOM 1491 N ARG A 98 4.054 12.409 1.680 1.00 0.34 N ATOM 1492 CA ARG A 98 4.147 12.809 3.078 1.00 0.35 C ATOM 1493 C ARG A 98 4.219 11.588 3.984 1.00 0.31 C ATOM 1494 O ARG A 98 5.047 11.526 4.893 1.00 0.33 O ATOM 1495 CB ARG A 98 2.946 13.684 3.463 1.00 0.44 C ATOM 1496 CG ARG A 98 2.996 14.234 4.886 1.00 1.33 C ATOM 1497 CD ARG A 98 4.058 15.315 5.045 1.00 1.71 C ATOM 1498 NE ARG A 98 5.421 14.786 4.958 1.00 2.37 N ATOM 1499 CZ ARG A 98 6.370 15.287 4.163 1.00 3.24 C ATOM 1500 NH1 ARG A 98 6.108 16.317 3.368 1.00 3.56 N ATOM 1501 NH2 ARG A 98 7.582 14.751 4.166 1.00 4.22 N ATOM 0 H ARG A 98 3.115 12.466 1.287 1.00 0.34 H new ATOM 0 HA ARG A 98 5.061 13.389 3.208 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.882 14.519 2.766 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.034 13.100 3.344 1.00 0.44 H new ATOM 0 HG2 ARG A 98 2.021 14.643 5.151 1.00 1.33 H new ATOM 0 HG3 ARG A 98 3.200 13.420 5.582 1.00 1.33 H new ATOM 0 HD2 ARG A 98 3.917 16.073 4.275 1.00 1.71 H new ATOM 0 HD3 ARG A 98 3.926 15.810 6.007 1.00 1.71 H new ATOM 0 HE ARG A 98 5.661 13.984 5.541 1.00 2.37 H new ATOM 0 HH11 ARG A 98 5.176 16.732 3.361 1.00 3.56 H new ATOM 0 HH12 ARG A 98 6.838 16.694 2.764 1.00 3.56 H new ATOM 0 HH21 ARG A 98 7.788 13.958 4.774 1.00 4.22 H new ATOM 0 HH22 ARG A 98 8.309 15.131 3.560 1.00 4.22 H new ATOM 1515 N LYS A 99 3.366 10.609 3.719 1.00 0.31 N ATOM 1516 CA LYS A 99 3.314 9.412 4.539 1.00 0.36 C ATOM 1517 C LYS A 99 4.516 8.528 4.250 1.00 0.32 C ATOM 1518 O LYS A 99 5.050 7.877 5.143 1.00 0.32 O ATOM 1519 CB LYS A 99 2.010 8.647 4.312 1.00 0.47 C ATOM 1520 CG LYS A 99 0.780 9.413 4.775 1.00 0.86 C ATOM 1521 CD LYS A 99 -0.413 8.497 4.992 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.633 9.288 5.436 1.00 1.52 C ATOM 1523 NZ LYS A 99 -2.716 8.411 5.957 1.00 1.44 N ATOM 0 H LYS A 99 2.703 10.622 2.944 1.00 0.31 H new ATOM 0 HA LYS A 99 3.344 9.711 5.587 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.910 8.418 3.251 1.00 0.47 H new ATOM 0 HB3 LYS A 99 2.058 7.695 4.840 1.00 0.47 H new ATOM 0 HG2 LYS A 99 1.008 9.938 5.703 1.00 0.86 H new ATOM 0 HG3 LYS A 99 0.525 10.171 4.034 1.00 0.86 H new ATOM 0 HD2 LYS A 99 -0.638 7.962 4.069 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.168 7.747 5.744 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.341 9.999 6.209 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -2.012 9.869 4.595 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -3.513 8.997 6.279 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -3.039 7.772 5.202 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -2.355 7.850 6.755 1.00 1.44 H new ATOM 1537 N LEU A 100 4.941 8.528 2.993 1.00 0.33 N ATOM 1538 CA LEU A 100 6.099 7.757 2.564 1.00 0.35 C ATOM 1539 C LEU A 100 7.337 8.190 3.339 1.00 0.34 C ATOM 1540 O LEU A 100 8.049 7.359 3.904 1.00 0.35 O ATOM 1541 CB LEU A 100 6.332 7.954 1.064 1.00 0.42 C ATOM 1542 CG LEU A 100 7.378 7.034 0.432 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.852 5.611 0.326 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.788 7.556 -0.935 1.00 1.58 C ATOM 0 H LEU A 100 4.495 9.060 2.246 1.00 0.33 H new ATOM 0 HA LEU A 100 5.909 6.702 2.762 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.385 7.808 0.545 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.633 8.988 0.894 1.00 0.42 H new ATOM 0 HG LEU A 100 8.258 7.023 1.076 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.613 4.975 -0.126 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.611 5.237 1.321 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.955 5.600 -0.293 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.533 6.890 -1.371 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.914 7.598 -1.585 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.212 8.555 -0.831 1.00 1.58 H new ATOM 1556 N ALA A 101 7.571 9.499 3.379 1.00 0.33 N ATOM 1557 CA ALA A 101 8.717 10.054 4.090 1.00 0.36 C ATOM 1558 C ALA A 101 8.613 9.774 5.585 1.00 0.33 C ATOM 1559 O ALA A 101 9.618 9.534 6.260 1.00 0.35 O ATOM 1560 CB ALA A 101 8.815 11.548 3.836 1.00 0.41 C ATOM 0 H ALA A 101 6.980 10.196 2.926 1.00 0.33 H new ATOM 0 HA ALA A 101 9.621 9.573 3.717 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.674 11.953 4.371 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.935 11.728 2.768 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.906 12.037 4.186 1.00 0.41 H new ATOM 1566 N ALA A 102 7.385 9.789 6.086 1.00 0.32 N ATOM 1567 CA ALA A 102 7.131 9.537 7.493 1.00 0.33 C ATOM 1568 C ALA A 102 7.506 8.105 7.857 1.00 0.32 C ATOM 1569 O ALA A 102 8.133 7.861 8.890 1.00 0.35 O ATOM 1570 CB ALA A 102 5.674 9.813 7.828 1.00 0.35 C ATOM 0 H ALA A 102 6.548 9.974 5.534 1.00 0.32 H new ATOM 0 HA ALA A 102 7.752 10.212 8.082 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.501 9.619 8.887 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.441 10.855 7.607 1.00 0.35 H new ATOM 0 HB3 ALA A 102 5.034 9.163 7.231 1.00 0.35 H new ATOM 1576 N TRP A 103 7.141 7.167 6.990 1.00 0.30 N ATOM 1577 CA TRP A 103 7.428 5.758 7.220 1.00 0.32 C ATOM 1578 C TRP A 103 8.924 5.486 7.152 1.00 0.32 C ATOM 1579 O TRP A 103 9.440 4.680 7.923 1.00 0.34 O ATOM 1580 CB TRP A 103 6.690 4.868 6.211 1.00 0.33 C ATOM 1581 CG TRP A 103 5.202 4.858 6.390 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.513 4.904 7.569 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.218 4.773 5.354 1.00 0.35 C ATOM 1584 NE1 TRP A 103 3.162 4.872 7.326 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.955 4.792 5.974 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.283 4.693 3.963 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.769 4.732 5.250 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.106 4.633 3.244 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.863 4.653 3.889 1.00 0.44 C ATOM 0 H TRP A 103 6.645 7.359 6.120 1.00 0.30 H new ATOM 0 HA TRP A 103 7.073 5.515 8.221 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.923 5.208 5.202 1.00 0.33 H new ATOM 0 HB3 TRP A 103 7.064 3.848 6.298 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.965 4.958 8.548 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.431 4.903 8.037 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.237 4.678 3.457 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.809 4.747 5.745 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.144 4.570 2.167 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.960 4.605 3.298 1.00 0.44 H new ATOM 1600 N GLU A 104 9.624 6.160 6.243 1.00 0.34 N ATOM 1601 CA GLU A 104 11.068 5.979 6.122 1.00 0.38 C ATOM 1602 C GLU A 104 11.764 6.308 7.440 1.00 0.39 C ATOM 1603 O GLU A 104 12.531 5.500 7.973 1.00 0.41 O ATOM 1604 CB GLU A 104 11.654 6.853 5.002 1.00 0.42 C ATOM 1605 CG GLU A 104 11.122 6.538 3.611 1.00 0.45 C ATOM 1606 CD GLU A 104 12.029 7.070 2.517 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.856 8.235 2.101 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.939 6.333 2.079 1.00 0.52 O ATOM 0 H GLU A 104 9.221 6.829 5.587 1.00 0.34 H new ATOM 0 HA GLU A 104 11.243 4.933 5.871 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.446 7.899 5.228 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.738 6.737 4.997 1.00 0.42 H new ATOM 0 HG2 GLU A 104 11.016 5.459 3.500 1.00 0.45 H new ATOM 0 HG3 GLU A 104 10.127 6.969 3.498 1.00 0.45 H new ATOM 1615 N ASN A 105 11.449 7.478 7.975 1.00 0.41 N ATOM 1616 CA ASN A 105 12.076 7.971 9.197 1.00 0.47 C ATOM 1617 C ASN A 105 11.707 7.114 10.409 1.00 0.46 C ATOM 1618 O ASN A 105 12.553 6.814 11.250 1.00 0.50 O ATOM 1619 CB ASN A 105 11.652 9.424 9.437 1.00 0.53 C ATOM 1620 CG ASN A 105 12.262 10.037 10.690 1.00 1.24 C ATOM 1621 OD1 ASN A 105 11.630 10.855 11.355 1.00 2.01 O ATOM 1622 ND2 ASN A 105 13.495 9.673 11.010 1.00 1.70 N ATOM 0 H ASN A 105 10.755 8.112 7.578 1.00 0.41 H new ATOM 0 HA ASN A 105 13.157 7.914 9.070 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.937 10.024 8.573 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.566 9.469 9.512 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.949 10.075 11.831 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.991 8.991 10.436 1.00 1.70 H new ATOM 1629 N ALA A 106 10.453 6.693 10.473 1.00 0.45 N ATOM 1630 CA ALA A 106 9.940 6.032 11.668 1.00 0.48 C ATOM 1631 C ALA A 106 10.183 4.527 11.649 1.00 0.50 C ATOM 1632 O ALA A 106 10.518 3.934 12.672 1.00 0.66 O ATOM 1633 CB ALA A 106 8.455 6.318 11.830 1.00 0.52 C ATOM 0 H ALA A 106 9.774 6.795 9.718 1.00 0.45 H new ATOM 0 HA ALA A 106 10.486 6.438 12.519 1.00 0.48 H new ATOM 0 HB1 ALA A 106 8.084 5.819 12.725 1.00 0.52 H new ATOM 0 HB2 ALA A 106 8.299 7.393 11.923 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.916 5.947 10.958 1.00 0.52 H new ATOM 1639 N ARG A 107 10.022 3.914 10.488 1.00 0.43 N ATOM 1640 CA ARG A 107 10.048 2.459 10.397 1.00 0.47 C ATOM 1641 C ARG A 107 11.436 1.924 10.058 1.00 0.48 C ATOM 1642 O ARG A 107 11.637 0.710 9.991 1.00 0.56 O ATOM 1643 CB ARG A 107 9.034 1.969 9.359 1.00 0.51 C ATOM 1644 CG ARG A 107 7.609 2.460 9.599 1.00 0.59 C ATOM 1645 CD ARG A 107 7.092 2.076 10.984 1.00 0.72 C ATOM 1646 NE ARG A 107 7.130 0.632 11.211 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.136 -0.064 11.758 1.00 1.10 C ATOM 1648 NH1 ARG A 107 5.008 0.545 12.120 1.00 1.35 N ATOM 1649 NH2 ARG A 107 6.272 -1.370 11.949 1.00 1.26 N ATOM 0 H ARG A 107 9.873 4.394 9.601 1.00 0.43 H new ATOM 0 HA ARG A 107 9.778 2.075 11.381 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.357 2.294 8.370 1.00 0.51 H new ATOM 0 HB3 ARG A 107 9.035 0.879 9.352 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.577 3.544 9.489 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.950 2.042 8.838 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.691 2.577 11.744 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.068 2.433 11.099 1.00 0.72 H new ATOM 0 HE ARG A 107 7.971 0.126 10.933 1.00 0.81 H new ATOM 0 HH11 ARG A 107 4.903 1.550 11.978 1.00 1.35 H new ATOM 0 HH12 ARG A 107 4.250 0.007 12.539 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.137 -1.838 11.677 1.00 1.26 H new ATOM 0 HH22 ARG A 107 5.512 -1.906 12.368 1.00 1.26 H new ATOM 1663 N GLY A 108 12.391 2.825 9.849 1.00 0.45 N ATOM 1664 CA GLY A 108 13.745 2.403 9.528 1.00 0.49 C ATOM 1665 C GLY A 108 13.835 1.816 8.137 1.00 0.46 C ATOM 1666 O GLY A 108 14.490 0.796 7.917 1.00 0.50 O ATOM 0 H GLY A 108 12.254 3.835 9.895 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.420 3.255 9.607 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.078 1.664 10.257 1.00 0.49 H new ATOM 1670 N VAL A 109 13.176 2.475 7.200 1.00 0.42 N ATOM 1671 CA VAL A 109 13.086 2.000 5.831 1.00 0.41 C ATOM 1672 C VAL A 109 13.635 3.065 4.894 1.00 0.43 C ATOM 1673 O VAL A 109 13.434 4.253 5.130 1.00 0.46 O ATOM 1674 CB VAL A 109 11.618 1.669 5.453 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.494 1.285 3.987 1.00 0.42 C ATOM 1676 CG2 VAL A 109 11.069 0.553 6.331 1.00 0.43 C ATOM 0 H VAL A 109 12.688 3.355 7.367 1.00 0.42 H new ATOM 0 HA VAL A 109 13.673 1.086 5.738 1.00 0.41 H new ATOM 0 HB VAL A 109 11.029 2.571 5.621 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.453 1.060 3.757 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.832 2.113 3.364 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.108 0.407 3.788 1.00 0.42 H new ATOM 0 HG21 VAL A 109 10.039 0.340 6.046 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.675 -0.344 6.201 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.100 0.863 7.375 1.00 0.43 H new ATOM 1686 N ASP A 110 14.349 2.654 3.857 1.00 0.44 N ATOM 1687 CA ASP A 110 14.882 3.607 2.895 1.00 0.49 C ATOM 1688 C ASP A 110 14.594 3.136 1.475 1.00 0.54 C ATOM 1689 O ASP A 110 15.260 2.235 0.958 1.00 0.57 O ATOM 1690 CB ASP A 110 16.385 3.800 3.095 1.00 0.53 C ATOM 1691 CG ASP A 110 16.896 5.038 2.390 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.987 5.030 1.144 1.00 0.79 O ATOM 1693 OD2 ASP A 110 17.222 6.026 3.078 1.00 0.84 O ATOM 0 H ASP A 110 14.571 1.678 3.661 1.00 0.44 H new ATOM 0 HA ASP A 110 14.391 4.567 3.056 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.603 3.874 4.161 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.916 2.925 2.721 1.00 0.53 H new ATOM 1698 N PHE A 111 13.597 3.750 0.854 1.00 0.60 N ATOM 1699 CA PHE A 111 13.138 3.340 -0.470 1.00 0.68 C ATOM 1700 C PHE A 111 14.182 3.625 -1.547 1.00 0.77 C ATOM 1701 O PHE A 111 14.253 2.917 -2.552 1.00 0.90 O ATOM 1702 CB PHE A 111 11.820 4.037 -0.812 1.00 0.73 C ATOM 1703 CG PHE A 111 10.652 3.540 -0.001 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.521 3.878 1.335 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.690 2.726 -0.577 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.454 3.418 2.082 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.622 2.262 0.163 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.503 2.606 1.495 1.00 0.62 C ATOM 0 H PHE A 111 13.086 4.540 1.248 1.00 0.60 H new ATOM 0 HA PHE A 111 12.979 2.262 -0.444 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.933 5.109 -0.653 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.605 3.892 -1.871 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.263 4.510 1.800 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.777 2.451 -1.618 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.363 3.693 3.123 1.00 0.61 H new ATOM 0 HE2 PHE A 111 7.879 1.630 -0.300 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.669 2.241 2.076 1.00 0.62 H new ATOM 1718 N GLY A 112 15.001 4.648 -1.331 1.00 0.76 N ATOM 1719 CA GLY A 112 16.029 4.983 -2.296 1.00 0.84 C ATOM 1720 C GLY A 112 17.168 3.989 -2.264 1.00 0.79 C ATOM 1721 O GLY A 112 17.848 3.768 -3.268 1.00 0.89 O ATOM 0 H GLY A 112 14.971 5.249 -0.507 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.596 5.009 -3.296 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.412 5.982 -2.089 1.00 0.84 H new ATOM 1725 N SER A 113 17.367 3.386 -1.105 1.00 0.71 N ATOM 1726 CA SER A 113 18.413 2.398 -0.926 1.00 0.70 C ATOM 1727 C SER A 113 17.876 0.991 -1.180 1.00 0.68 C ATOM 1728 O SER A 113 18.639 0.028 -1.242 1.00 0.72 O ATOM 1729 CB SER A 113 18.978 2.507 0.489 1.00 0.71 C ATOM 1730 OG SER A 113 19.301 3.854 0.797 1.00 1.38 O ATOM 0 H SER A 113 16.812 3.566 -0.268 1.00 0.71 H new ATOM 0 HA SER A 113 19.209 2.589 -1.646 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.250 2.129 1.207 1.00 0.71 H new ATOM 0 HB3 SER A 113 19.868 1.884 0.580 1.00 0.71 H new ATOM 0 HG SER A 113 18.532 4.428 0.598 1.00 1.38 H new ATOM 1736 N ARG A 114 16.549 0.887 -1.309 1.00 0.68 N ATOM 1737 CA ARG A 114 15.879 -0.379 -1.629 1.00 0.75 C ATOM 1738 C ARG A 114 16.108 -1.416 -0.529 1.00 0.68 C ATOM 1739 O ARG A 114 15.950 -2.617 -0.741 1.00 0.72 O ATOM 1740 CB ARG A 114 16.366 -0.911 -2.984 1.00 0.91 C ATOM 1741 CG ARG A 114 16.147 0.072 -4.124 1.00 1.10 C ATOM 1742 CD ARG A 114 16.821 -0.383 -5.409 1.00 1.31 C ATOM 1743 NE ARG A 114 16.206 -1.588 -5.965 1.00 1.48 N ATOM 1744 CZ ARG A 114 15.756 -1.684 -7.217 1.00 1.92 C ATOM 1745 NH1 ARG A 114 15.846 -0.652 -8.048 1.00 2.13 N ATOM 1746 NH2 ARG A 114 15.223 -2.820 -7.641 1.00 2.70 N ATOM 0 H ARG A 114 15.911 1.675 -1.195 1.00 0.68 H new ATOM 0 HA ARG A 114 14.807 -0.191 -1.693 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.428 -1.147 -2.915 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.846 -1.842 -3.210 1.00 0.91 H new ATOM 0 HG2 ARG A 114 15.078 0.192 -4.299 1.00 1.10 H new ATOM 0 HG3 ARG A 114 16.535 1.050 -3.838 1.00 1.10 H new ATOM 0 HD2 ARG A 114 16.772 0.419 -6.145 1.00 1.31 H new ATOM 0 HD3 ARG A 114 17.876 -0.574 -5.215 1.00 1.31 H new ATOM 0 HE ARG A 114 16.116 -2.404 -5.359 1.00 1.48 H new ATOM 0 HH11 ARG A 114 16.262 0.224 -7.731 1.00 2.13 H new ATOM 0 HH12 ARG A 114 15.499 -0.735 -9.004 1.00 2.13 H new ATOM 0 HH21 ARG A 114 15.157 -3.619 -7.011 1.00 2.70 H new ATOM 0 HH22 ARG A 114 14.878 -2.896 -8.598 1.00 2.70 H new ATOM 1760 N THR A 115 16.456 -0.935 0.655 1.00 0.60 N ATOM 1761 CA THR A 115 16.774 -1.801 1.776 1.00 0.57 C ATOM 1762 C THR A 115 16.131 -1.280 3.058 1.00 0.52 C ATOM 1763 O THR A 115 15.565 -0.182 3.080 1.00 0.53 O ATOM 1764 CB THR A 115 18.302 -1.916 1.960 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.923 -0.650 1.699 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.894 -2.971 1.037 1.00 0.78 C ATOM 0 H THR A 115 16.525 0.061 0.863 1.00 0.60 H new ATOM 0 HA THR A 115 16.373 -2.791 1.561 1.00 0.57 H new ATOM 0 HB THR A 115 18.493 -2.216 2.991 1.00 0.63 H new ATOM 0 HG1 THR A 115 18.918 -0.476 0.735 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.972 -3.027 1.192 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.445 -3.940 1.257 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.690 -2.703 0.000 1.00 0.78 H new ATOM 1774 N GLN A 116 16.205 -2.070 4.121 1.00 0.50 N ATOM 1775 CA GLN A 116 15.609 -1.694 5.391 1.00 0.51 C ATOM 1776 C GLN A 116 16.411 -2.260 6.554 1.00 0.54 C ATOM 1777 O GLN A 116 17.067 -3.292 6.421 1.00 0.55 O ATOM 1778 CB GLN A 116 14.161 -2.191 5.463 1.00 0.50 C ATOM 1779 CG GLN A 116 14.018 -3.698 5.301 1.00 0.45 C ATOM 1780 CD GLN A 116 12.591 -4.176 5.489 1.00 0.55 C ATOM 1781 OE1 GLN A 116 12.352 -5.304 5.911 1.00 1.21 O ATOM 1782 NE2 GLN A 116 11.632 -3.320 5.183 1.00 1.00 N ATOM 0 H GLN A 116 16.673 -2.976 4.126 1.00 0.50 H new ATOM 0 HA GLN A 116 15.617 -0.606 5.463 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.733 -1.896 6.421 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.578 -1.695 4.687 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.365 -3.987 4.309 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.662 -4.199 6.023 1.00 0.45 H new ATOM 0 HE21 GLN A 116 11.869 -2.391 4.835 1.00 1.00 H new ATOM 0 HE22 GLN A 116 10.654 -3.588 5.295 1.00 1.00 H new ATOM 1791 N ALA A 117 16.353 -1.574 7.690 1.00 0.62 N ATOM 1792 CA ALA A 117 17.058 -2.012 8.887 1.00 0.68 C ATOM 1793 C ALA A 117 16.130 -2.802 9.803 1.00 0.68 C ATOM 1794 O ALA A 117 16.480 -3.119 10.941 1.00 0.84 O ATOM 1795 CB ALA A 117 17.634 -0.815 9.625 1.00 0.83 C ATOM 0 H ALA A 117 15.823 -0.710 7.806 1.00 0.62 H new ATOM 0 HA ALA A 117 17.876 -2.666 8.584 1.00 0.68 H new ATOM 0 HB1 ALA A 117 18.158 -1.156 10.518 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.331 -0.287 8.974 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.826 -0.142 9.913 1.00 0.83 H new ATOM 1801 N ASP A 118 14.948 -3.115 9.297 1.00 0.69 N ATOM 1802 CA ASP A 118 13.967 -3.877 10.057 1.00 0.73 C ATOM 1803 C ASP A 118 13.987 -5.326 9.592 1.00 0.67 C ATOM 1804 O ASP A 118 14.642 -5.652 8.602 1.00 0.67 O ATOM 1805 CB ASP A 118 12.558 -3.290 9.869 1.00 0.81 C ATOM 1806 CG ASP A 118 11.617 -3.620 11.019 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.151 -4.778 11.093 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.333 -2.732 11.848 1.00 1.04 O ATOM 0 H ASP A 118 14.643 -2.853 8.360 1.00 0.69 H new ATOM 0 HA ASP A 118 14.223 -3.824 11.115 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.632 -2.207 9.767 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.134 -3.669 8.939 1.00 0.81 H new ATOM 1813 N ALA A 119 13.282 -6.189 10.299 1.00 0.72 N ATOM 1814 CA ALA A 119 13.143 -7.573 9.885 1.00 0.73 C ATOM 1815 C ALA A 119 12.131 -7.668 8.751 1.00 0.66 C ATOM 1816 O ALA A 119 12.359 -8.346 7.747 1.00 0.73 O ATOM 1817 CB ALA A 119 12.709 -8.436 11.062 1.00 0.91 C ATOM 0 H ALA A 119 12.796 -5.956 11.165 1.00 0.72 H new ATOM 0 HA ALA A 119 14.107 -7.939 9.531 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.609 -9.471 10.737 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.456 -8.375 11.853 1.00 0.91 H new ATOM 0 HB3 ALA A 119 11.751 -8.080 11.440 1.00 0.91 H new ATOM 1823 N LEU A 120 11.030 -6.948 8.914 1.00 0.69 N ATOM 1824 CA LEU A 120 9.928 -6.966 7.969 1.00 0.63 C ATOM 1825 C LEU A 120 8.986 -5.816 8.303 1.00 0.57 C ATOM 1826 O LEU A 120 8.639 -5.627 9.468 1.00 0.65 O ATOM 1827 CB LEU A 120 9.187 -8.305 8.062 1.00 0.73 C ATOM 1828 CG LEU A 120 7.958 -8.449 7.166 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.349 -8.377 5.705 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.237 -9.754 7.462 1.00 1.00 C ATOM 0 H LEU A 120 10.878 -6.331 9.712 1.00 0.69 H new ATOM 0 HA LEU A 120 10.302 -6.850 6.952 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.887 -9.104 7.817 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.879 -8.457 9.096 1.00 0.73 H new ATOM 0 HG LEU A 120 7.280 -7.623 7.378 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.459 -8.482 5.085 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.822 -7.416 5.502 1.00 0.89 H new ATOM 0 HD13 LEU A 120 9.048 -9.181 5.475 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.364 -9.842 6.816 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.910 -10.591 7.278 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.919 -9.766 8.505 1.00 1.00 H new ATOM 1842 N VAL A 121 8.562 -5.049 7.311 1.00 0.50 N ATOM 1843 CA VAL A 121 7.743 -3.883 7.599 1.00 0.47 C ATOM 1844 C VAL A 121 6.285 -4.127 7.213 1.00 0.39 C ATOM 1845 O VAL A 121 5.892 -4.049 6.049 1.00 0.33 O ATOM 1846 CB VAL A 121 8.302 -2.589 6.946 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.428 -2.726 5.439 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.442 -1.384 7.310 1.00 0.50 C ATOM 0 H VAL A 121 8.765 -5.206 6.324 1.00 0.50 H new ATOM 0 HA VAL A 121 7.781 -3.724 8.677 1.00 0.47 H new ATOM 0 HB VAL A 121 9.305 -2.431 7.343 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.822 -1.800 5.021 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.105 -3.547 5.204 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.447 -2.929 5.009 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.852 -0.489 6.842 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.423 -1.544 6.957 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.434 -1.256 8.392 1.00 0.50 H new ATOM 1858 N LEU A 122 5.503 -4.491 8.209 1.00 0.41 N ATOM 1859 CA LEU A 122 4.074 -4.670 8.046 1.00 0.39 C ATOM 1860 C LEU A 122 3.358 -3.467 8.635 1.00 0.42 C ATOM 1861 O LEU A 122 3.691 -3.028 9.737 1.00 0.73 O ATOM 1862 CB LEU A 122 3.618 -5.954 8.748 1.00 0.50 C ATOM 1863 CG LEU A 122 4.369 -7.230 8.344 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.885 -8.417 9.162 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.202 -7.507 6.858 1.00 0.46 C ATOM 0 H LEU A 122 5.840 -4.671 9.155 1.00 0.41 H new ATOM 0 HA LEU A 122 3.834 -4.756 6.986 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.724 -5.816 9.824 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.556 -6.099 8.548 1.00 0.50 H new ATOM 0 HG LEU A 122 5.429 -7.078 8.547 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.429 -9.312 8.861 1.00 0.66 H new ATOM 0 HD12 LEU A 122 4.060 -8.225 10.221 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.819 -8.566 8.991 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.743 -8.416 6.594 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.144 -7.634 6.628 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.599 -6.669 6.285 1.00 0.46 H new ATOM 1877 N LEU A 123 2.381 -2.933 7.920 1.00 0.24 N ATOM 1878 CA LEU A 123 1.700 -1.728 8.368 1.00 0.24 C ATOM 1879 C LEU A 123 0.199 -1.973 8.421 1.00 0.24 C ATOM 1880 O LEU A 123 -0.473 -2.022 7.386 1.00 0.25 O ATOM 1881 CB LEU A 123 2.004 -0.540 7.445 1.00 0.26 C ATOM 1882 CG LEU A 123 3.483 -0.161 7.301 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.632 1.091 6.451 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.131 0.054 8.659 1.00 0.37 C ATOM 0 H LEU A 123 2.044 -3.310 7.035 1.00 0.24 H new ATOM 0 HA LEU A 123 2.065 -1.483 9.365 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.609 -0.765 6.454 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.461 0.330 7.815 1.00 0.26 H new ATOM 0 HG LEU A 123 3.991 -0.989 6.807 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.688 1.345 6.360 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.215 0.910 5.460 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.100 1.917 6.923 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.179 0.321 8.524 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.616 0.858 9.185 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.063 -0.863 9.244 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.317 -2.143 9.628 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.729 -2.401 9.805 1.00 0.28 C ATOM 1898 C GLY A 124 -2.428 -1.267 10.517 1.00 0.30 C ATOM 1899 O GLY A 124 -1.781 -0.451 11.181 1.00 0.34 O ATOM 0 H GLY A 124 0.222 -2.106 10.493 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.193 -2.558 8.831 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.861 -3.322 10.374 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.746 -1.211 10.386 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.512 -0.165 11.034 1.00 0.36 C ATOM 1905 C GLY A 125 -4.378 1.176 10.342 1.00 0.35 C ATOM 1906 O GLY A 125 -4.552 2.217 10.971 1.00 0.40 O ATOM 0 H GLY A 125 -4.300 -1.872 9.842 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.563 -0.453 11.058 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.184 -0.069 12.069 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.059 1.158 9.056 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.937 2.391 8.289 1.00 0.31 C ATOM 1912 C LEU A 126 -5.302 2.867 7.805 1.00 0.33 C ATOM 1913 O LEU A 126 -6.233 2.075 7.649 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.994 2.210 7.094 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.501 2.412 7.379 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.994 1.404 8.397 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.702 2.309 6.088 1.00 0.39 C ATOM 0 H LEU A 126 -3.880 0.307 8.523 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.515 3.147 8.951 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.135 1.206 6.694 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.292 2.909 6.312 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.368 3.409 7.800 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.068 1.572 8.578 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.545 1.521 9.330 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.141 0.394 8.013 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.357 2.454 6.303 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.851 1.324 5.646 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.039 3.075 5.390 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.404 4.165 7.561 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.642 4.777 7.099 1.00 0.41 C ATOM 1931 C ASP A 127 -6.335 5.653 5.891 1.00 0.39 C ATOM 1932 O ASP A 127 -5.171 5.839 5.531 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.284 5.638 8.201 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.739 4.846 9.414 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.843 4.260 9.376 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -7.010 4.840 10.431 1.00 1.11 O ATOM 0 H ASP A 127 -4.633 4.823 7.677 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.344 3.987 6.833 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.567 6.394 8.521 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -8.140 6.167 7.783 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.369 6.209 5.280 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.190 7.048 4.102 1.00 0.42 C ATOM 1943 C PHE A 128 -7.351 8.516 4.465 1.00 0.49 C ATOM 1944 O PHE A 128 -7.754 9.342 3.643 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.168 6.647 2.994 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.796 5.360 2.303 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.252 4.142 2.787 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -6.996 5.364 1.171 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -7.918 2.959 2.156 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -6.660 4.183 0.535 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.096 2.987 1.026 1.00 0.58 C ATOM 0 H PHE A 128 -8.338 6.096 5.577 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.178 6.899 3.725 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.166 6.547 3.420 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.216 7.447 2.255 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.876 4.118 3.668 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -6.630 6.302 0.780 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.290 2.018 2.534 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.049 4.207 -0.355 1.00 0.55 H new ATOM 0 HZ PHE A 128 -6.807 2.065 0.543 1.00 0.58 H new ATOM 1961 N GLU A 129 -7.024 8.833 5.708 1.00 0.52 N ATOM 1962 CA GLU A 129 -7.087 10.197 6.197 1.00 0.63 C ATOM 1963 C GLU A 129 -5.760 10.898 5.952 1.00 0.64 C ATOM 1964 O GLU A 129 -4.702 10.263 6.003 1.00 0.80 O ATOM 1965 CB GLU A 129 -7.403 10.217 7.691 1.00 0.83 C ATOM 1966 CG GLU A 129 -8.670 9.472 8.063 1.00 1.58 C ATOM 1967 CD GLU A 129 -8.973 9.572 9.542 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -8.271 8.919 10.341 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -9.930 10.286 9.911 1.00 3.00 O ATOM 0 H GLU A 129 -6.709 8.154 6.401 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.880 10.718 5.660 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -6.565 9.782 8.235 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -7.493 11.253 8.019 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -9.508 9.874 7.493 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -8.569 8.423 7.784 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.817 12.191 5.685 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.618 12.983 5.475 1.00 0.92 C ATOM 1978 C ALA A 130 -4.921 14.463 5.667 1.00 1.47 C ATOM 1979 O ALA A 130 -5.093 15.183 4.662 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.040 12.723 4.094 1.00 0.97 C ATOM 1981 OXT ALA A 130 -5.012 14.898 6.831 1.00 2.26 O ATOM 0 H ALA A 130 -6.687 12.718 5.608 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.873 12.688 6.213 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.142 13.326 3.956 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -3.787 11.667 3.999 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -4.776 12.989 3.335 1.00 0.97 H new