USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 4 GLN : amide:sc= 0.925 K(o=0.93,f=0) USER MOD Single : A 8 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0863 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.38) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -162:sc= 1.3 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.133 X(o=0.13,f=-0.068) USER MOD Single : A 52 MET CE :methyl 177:sc= 0 (180deg=-0.0225) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 1.02 (180deg=0.512) USER MOD Single : A 61 MET CE :methyl -153:sc= -0.0945 (180deg=-0.624) USER MOD Single : A 66 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.93) USER MOD Single : A 72 MET CE :methyl -164:sc= -0.0791 (180deg=-0.553) USER MOD Single : A 74 ASN : amide:sc= 1.76 K(o=1.8,f=-3.5!) USER MOD Single : A 75 MET CE :methyl 180:sc= -0.0785 (180deg=-0.0785) USER MOD Single : A 83 SER OG : rot -97:sc= 1.21 USER MOD Single : A 87 SER OG : rot 77:sc= 0.0132 USER MOD Single : A 88 TYR OH : rot -35:sc= 1.22 USER MOD Single : A 93 THR OG1 : rot -69:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.320 6.057 6.666 1.00 1.17 N ATOM 13 CA GLY A 2 9.170 5.405 6.023 1.00 0.68 C ATOM 14 C GLY A 2 8.180 4.784 7.024 1.00 0.75 C ATOM 15 O GLY A 2 6.977 4.782 6.775 1.00 0.92 O ATOM 0 HA2 GLY A 2 8.644 6.136 5.409 1.00 0.68 H new ATOM 0 HA3 GLY A 2 9.532 4.627 5.351 1.00 0.68 H new ATOM 19 N GLU A 3 8.648 4.342 8.197 1.00 0.83 N ATOM 20 CA GLU A 3 7.785 3.904 9.308 1.00 0.99 C ATOM 21 C GLU A 3 7.047 5.084 9.961 1.00 0.92 C ATOM 22 O GLU A 3 5.879 4.950 10.325 1.00 0.91 O ATOM 23 CB GLU A 3 8.637 3.105 10.310 1.00 1.26 C ATOM 24 CG GLU A 3 7.919 2.632 11.584 1.00 1.65 C ATOM 25 CD GLU A 3 7.846 3.692 12.696 1.00 2.84 C ATOM 26 OE1 GLU A 3 8.821 4.463 12.882 1.00 3.20 O ATOM 27 OE2 GLU A 3 6.836 3.723 13.439 1.00 4.32 O ATOM 0 H GLU A 3 9.644 4.276 8.407 1.00 0.83 H new ATOM 0 HA GLU A 3 6.999 3.254 8.924 1.00 0.99 H new ATOM 0 HB2 GLU A 3 9.038 2.230 9.798 1.00 1.26 H new ATOM 0 HB3 GLU A 3 9.487 3.720 10.604 1.00 1.26 H new ATOM 0 HG2 GLU A 3 6.906 2.324 11.324 1.00 1.65 H new ATOM 0 HG3 GLU A 3 8.431 1.751 11.970 1.00 1.65 H new ATOM 34 N GLN A 4 7.676 6.262 10.046 1.00 0.94 N ATOM 35 CA GLN A 4 7.036 7.484 10.551 1.00 0.98 C ATOM 36 C GLN A 4 5.963 7.998 9.570 1.00 0.96 C ATOM 37 O GLN A 4 4.900 8.451 10.012 1.00 1.10 O ATOM 38 CB GLN A 4 8.096 8.566 10.840 1.00 1.08 C ATOM 39 CG GLN A 4 9.178 8.166 11.863 1.00 1.93 C ATOM 40 CD GLN A 4 8.671 8.160 13.301 1.00 2.88 C ATOM 41 OE1 GLN A 4 8.669 9.176 13.983 1.00 3.10 O ATOM 42 NE2 GLN A 4 8.215 7.045 13.827 1.00 4.48 N ATOM 0 H GLN A 4 8.647 6.396 9.765 1.00 0.94 H new ATOM 0 HA GLN A 4 6.531 7.244 11.487 1.00 0.98 H new ATOM 0 HB2 GLN A 4 8.585 8.833 9.903 1.00 1.08 H new ATOM 0 HB3 GLN A 4 7.590 9.461 11.201 1.00 1.08 H new ATOM 0 HG2 GLN A 4 9.556 7.175 11.614 1.00 1.93 H new ATOM 0 HG3 GLN A 4 10.018 8.857 11.783 1.00 1.93 H new ATOM 0 HE21 GLN A 4 8.208 6.187 13.276 1.00 4.48 H new ATOM 0 HE22 GLN A 4 7.868 7.038 14.786 1.00 4.48 H new ATOM 51 N ILE A 5 6.182 7.842 8.254 1.00 0.87 N ATOM 52 CA ILE A 5 5.157 8.060 7.217 1.00 0.89 C ATOM 53 C ILE A 5 4.020 7.043 7.385 1.00 0.87 C ATOM 54 O ILE A 5 2.860 7.445 7.456 1.00 0.94 O ATOM 55 CB ILE A 5 5.737 8.021 5.780 1.00 0.89 C ATOM 56 CG1 ILE A 5 6.789 9.136 5.569 1.00 0.99 C ATOM 57 CG2 ILE A 5 4.595 8.187 4.749 1.00 0.98 C ATOM 58 CD1 ILE A 5 7.593 9.001 4.271 1.00 1.08 C ATOM 0 H ILE A 5 7.085 7.558 7.875 1.00 0.87 H new ATOM 0 HA ILE A 5 4.761 9.066 7.354 1.00 0.89 H new ATOM 0 HB ILE A 5 6.226 7.057 5.639 1.00 0.89 H new ATOM 0 HG12 ILE A 5 6.284 10.102 5.572 1.00 0.99 H new ATOM 0 HG13 ILE A 5 7.479 9.134 6.413 1.00 0.99 H new ATOM 0 HG21 ILE A 5 5.008 8.159 3.741 1.00 0.98 H new ATOM 0 HG22 ILE A 5 3.876 7.377 4.869 1.00 0.98 H new ATOM 0 HG23 ILE A 5 4.096 9.142 4.910 1.00 0.98 H new ATOM 0 HD11 ILE A 5 8.308 9.821 4.199 1.00 1.08 H new ATOM 0 HD12 ILE A 5 8.128 8.052 4.272 1.00 1.08 H new ATOM 0 HD13 ILE A 5 6.915 9.035 3.418 1.00 1.08 H new ATOM 70 N PHE A 6 4.315 5.743 7.523 1.00 0.84 N ATOM 71 CA PHE A 6 3.274 4.726 7.725 1.00 0.89 C ATOM 72 C PHE A 6 2.433 5.024 8.975 1.00 0.98 C ATOM 73 O PHE A 6 1.204 4.962 8.917 1.00 1.09 O ATOM 74 CB PHE A 6 3.880 3.312 7.779 1.00 0.87 C ATOM 75 CG PHE A 6 2.839 2.206 7.650 1.00 1.24 C ATOM 76 CD1 PHE A 6 2.049 1.835 8.756 1.00 1.58 C ATOM 77 CD2 PHE A 6 2.624 1.576 6.409 1.00 2.18 C ATOM 78 CE1 PHE A 6 1.043 0.862 8.620 1.00 1.90 C ATOM 79 CE2 PHE A 6 1.623 0.597 6.272 1.00 2.58 C ATOM 80 CZ PHE A 6 0.827 0.243 7.377 1.00 2.13 C ATOM 0 H PHE A 6 5.265 5.371 7.498 1.00 0.84 H new ATOM 0 HA PHE A 6 2.604 4.765 6.866 1.00 0.89 H new ATOM 0 HB2 PHE A 6 4.613 3.207 6.979 1.00 0.87 H new ATOM 0 HB3 PHE A 6 4.416 3.189 8.720 1.00 0.87 H new ATOM 0 HD1 PHE A 6 2.217 2.301 9.715 1.00 1.58 H new ATOM 0 HD2 PHE A 6 3.231 1.846 5.558 1.00 2.18 H new ATOM 0 HE1 PHE A 6 0.436 0.590 9.471 1.00 1.90 H new ATOM 0 HE2 PHE A 6 1.465 0.117 5.318 1.00 2.58 H new ATOM 0 HZ PHE A 6 0.052 -0.502 7.270 1.00 2.13 H new ATOM 90 N ARG A 7 3.055 5.441 10.085 1.00 1.00 N ATOM 91 CA ARG A 7 2.328 5.790 11.307 1.00 1.22 C ATOM 92 C ARG A 7 1.457 7.037 11.145 1.00 1.37 C ATOM 93 O ARG A 7 0.331 7.052 11.636 1.00 1.79 O ATOM 94 CB ARG A 7 3.325 5.921 12.469 1.00 1.26 C ATOM 95 CG ARG A 7 2.592 5.821 13.814 1.00 1.68 C ATOM 96 CD ARG A 7 3.570 5.768 14.994 1.00 1.84 C ATOM 97 NE ARG A 7 2.871 5.398 16.234 1.00 2.56 N ATOM 98 CZ ARG A 7 2.581 4.140 16.622 1.00 3.44 C ATOM 99 NH1 ARG A 7 3.001 3.073 15.923 1.00 3.92 N ATOM 100 NH2 ARG A 7 1.849 3.944 17.726 1.00 4.40 N ATOM 0 H ARG A 7 4.067 5.545 10.159 1.00 1.00 H new ATOM 0 HA ARG A 7 1.628 4.985 11.531 1.00 1.22 H new ATOM 0 HB2 ARG A 7 4.080 5.138 12.399 1.00 1.26 H new ATOM 0 HB3 ARG A 7 3.848 6.875 12.402 1.00 1.26 H new ATOM 0 HG2 ARG A 7 1.928 6.678 13.931 1.00 1.68 H new ATOM 0 HG3 ARG A 7 1.966 4.929 13.821 1.00 1.68 H new ATOM 0 HD2 ARG A 7 4.359 5.045 14.786 1.00 1.84 H new ATOM 0 HD3 ARG A 7 4.051 6.738 15.118 1.00 1.84 H new ATOM 0 HE ARG A 7 2.582 6.156 16.852 1.00 2.56 H new ATOM 0 HH11 ARG A 7 3.554 3.204 15.076 1.00 3.92 H new ATOM 0 HH12 ARG A 7 2.767 2.132 16.239 1.00 3.92 H new ATOM 0 HH21 ARG A 7 1.516 4.743 18.266 1.00 4.40 H new ATOM 0 HH22 ARG A 7 1.625 2.996 18.027 1.00 4.40 H new ATOM 114 N THR A 8 1.915 8.046 10.400 1.00 1.15 N ATOM 115 CA THR A 8 1.159 9.297 10.173 1.00 1.34 C ATOM 116 C THR A 8 0.138 9.253 9.035 1.00 1.38 C ATOM 117 O THR A 8 -0.772 10.084 9.031 1.00 1.65 O ATOM 118 CB THR A 8 2.082 10.516 9.989 1.00 1.42 C ATOM 119 OG1 THR A 8 3.093 10.275 9.032 1.00 1.43 O ATOM 120 CG2 THR A 8 2.772 10.902 11.291 1.00 1.47 C ATOM 0 H THR A 8 2.822 8.026 9.933 1.00 1.15 H new ATOM 0 HA THR A 8 0.585 9.405 11.093 1.00 1.34 H new ATOM 0 HB THR A 8 1.433 11.324 9.651 1.00 1.42 H new ATOM 0 HG1 THR A 8 3.807 9.740 9.438 1.00 1.43 H new ATOM 0 HG21 THR A 8 3.414 11.766 11.120 1.00 1.47 H new ATOM 0 HG22 THR A 8 2.021 11.151 12.041 1.00 1.47 H new ATOM 0 HG23 THR A 8 3.375 10.066 11.645 1.00 1.47 H new ATOM 128 N ARG A 9 0.241 8.315 8.084 1.00 1.21 N ATOM 129 CA ARG A 9 -0.625 8.256 6.888 1.00 1.33 C ATOM 130 C ARG A 9 -1.387 6.937 6.711 1.00 1.19 C ATOM 131 O ARG A 9 -2.395 6.920 6.002 1.00 1.30 O ATOM 132 CB ARG A 9 0.216 8.562 5.633 1.00 1.58 C ATOM 133 CG ARG A 9 0.861 9.961 5.616 1.00 1.37 C ATOM 134 CD ARG A 9 -0.183 11.082 5.567 1.00 1.50 C ATOM 135 NE ARG A 9 0.448 12.408 5.515 1.00 1.70 N ATOM 136 CZ ARG A 9 -0.218 13.575 5.466 1.00 2.45 C ATOM 137 NH1 ARG A 9 -1.559 13.619 5.438 1.00 3.27 N ATOM 138 NH2 ARG A 9 0.472 14.723 5.450 1.00 3.23 N ATOM 0 H ARG A 9 0.933 7.566 8.119 1.00 1.21 H new ATOM 0 HA ARG A 9 -1.397 9.012 7.034 1.00 1.33 H new ATOM 0 HB2 ARG A 9 1.003 7.813 5.548 1.00 1.58 H new ATOM 0 HB3 ARG A 9 -0.419 8.459 4.753 1.00 1.58 H new ATOM 0 HG2 ARG A 9 1.481 10.084 6.504 1.00 1.37 H new ATOM 0 HG3 ARG A 9 1.521 10.044 4.752 1.00 1.37 H new ATOM 0 HD2 ARG A 9 -0.821 10.948 4.693 1.00 1.50 H new ATOM 0 HD3 ARG A 9 -0.827 11.019 6.444 1.00 1.50 H new ATOM 0 HE ARG A 9 1.467 12.446 5.516 1.00 1.70 H new ATOM 0 HH11 ARG A 9 -2.098 12.753 5.454 1.00 3.27 H new ATOM 0 HH12 ARG A 9 -2.039 14.518 5.401 1.00 3.27 H new ATOM 0 HH21 ARG A 9 1.492 14.706 5.475 1.00 3.23 H new ATOM 0 HH22 ARG A 9 -0.022 15.615 5.413 1.00 3.23 H new ATOM 152 N CYS A 10 -0.948 5.841 7.336 1.00 1.05 N ATOM 153 CA CYS A 10 -1.347 4.475 6.959 1.00 0.98 C ATOM 154 C CYS A 10 -1.786 3.546 8.105 1.00 0.94 C ATOM 155 O CYS A 10 -2.135 2.394 7.824 1.00 0.95 O ATOM 156 CB CYS A 10 -0.202 3.811 6.177 1.00 1.00 C ATOM 157 SG CYS A 10 0.553 4.779 4.832 1.00 1.17 S ATOM 0 H CYS A 10 -0.301 5.873 8.124 1.00 1.05 H new ATOM 0 HA CYS A 10 -2.244 4.607 6.355 1.00 0.98 H new ATOM 0 HB2 CYS A 10 0.583 3.547 6.886 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -0.577 2.879 5.754 1.00 1.00 H new ATOM 0 HG CYS A 10 1.500 4.083 4.275 1.00 1.17 H new ATOM 162 N SER A 11 -1.785 3.993 9.365 1.00 1.10 N ATOM 163 CA SER A 11 -2.021 3.132 10.538 1.00 1.18 C ATOM 164 C SER A 11 -3.509 2.877 10.867 1.00 1.34 C ATOM 165 O SER A 11 -4.405 3.272 10.120 1.00 2.88 O ATOM 166 CB SER A 11 -1.260 3.699 11.743 1.00 1.38 C ATOM 167 OG SER A 11 -0.734 2.625 12.500 1.00 2.05 O ATOM 0 H SER A 11 -1.619 4.970 9.606 1.00 1.10 H new ATOM 0 HA SER A 11 -1.637 2.144 10.284 1.00 1.18 H new ATOM 0 HB2 SER A 11 -0.455 4.353 11.407 1.00 1.38 H new ATOM 0 HB3 SER A 11 -1.926 4.304 12.359 1.00 1.38 H new ATOM 0 HG SER A 11 -0.244 2.978 13.272 1.00 2.05 H new ATOM 173 N SER A 12 -3.783 2.169 11.972 1.00 1.68 N ATOM 174 CA SER A 12 -5.107 1.791 12.536 1.00 1.99 C ATOM 175 C SER A 12 -6.098 1.006 11.659 1.00 1.63 C ATOM 176 O SER A 12 -6.983 0.345 12.202 1.00 2.04 O ATOM 177 CB SER A 12 -5.809 3.003 13.166 1.00 2.58 C ATOM 178 OG SER A 12 -5.145 3.394 14.348 1.00 4.03 O ATOM 0 H SER A 12 -3.024 1.810 12.552 1.00 1.68 H new ATOM 0 HA SER A 12 -4.814 1.053 13.282 1.00 1.99 H new ATOM 0 HB2 SER A 12 -5.824 3.832 12.458 1.00 2.58 H new ATOM 0 HB3 SER A 12 -6.847 2.755 13.389 1.00 2.58 H new ATOM 0 HG SER A 12 -5.601 4.168 14.739 1.00 4.03 H new ATOM 184 N CYS A 13 -5.973 1.000 10.332 1.00 1.12 N ATOM 185 CA CYS A 13 -6.739 0.104 9.450 1.00 1.02 C ATOM 186 C CYS A 13 -6.025 -1.244 9.261 1.00 1.20 C ATOM 187 O CYS A 13 -6.673 -2.285 9.168 1.00 1.56 O ATOM 188 CB CYS A 13 -6.974 0.780 8.096 1.00 0.83 C ATOM 189 SG CYS A 13 -7.789 2.402 8.204 1.00 0.65 S ATOM 0 H CYS A 13 -5.335 1.618 9.831 1.00 1.12 H new ATOM 0 HA CYS A 13 -7.701 -0.096 9.922 1.00 1.02 H new ATOM 0 HB2 CYS A 13 -6.015 0.901 7.591 1.00 0.83 H new ATOM 0 HB3 CYS A 13 -7.581 0.122 7.474 1.00 0.83 H new ATOM 0 HG CYS A 13 -7.941 2.892 7.009 1.00 0.65 H new ATOM 194 N HIS A 14 -4.690 -1.220 9.250 1.00 1.15 N ATOM 195 CA HIS A 14 -3.787 -2.370 9.124 1.00 1.24 C ATOM 196 C HIS A 14 -2.443 -2.110 9.814 1.00 0.89 C ATOM 197 O HIS A 14 -2.101 -0.975 10.151 1.00 1.25 O ATOM 198 CB HIS A 14 -3.545 -2.725 7.644 1.00 2.03 C ATOM 199 CG HIS A 14 -3.427 -1.569 6.692 1.00 0.88 C ATOM 200 ND1 HIS A 14 -2.817 -0.358 6.906 1.00 1.89 N ATOM 201 CD2 HIS A 14 -3.931 -1.569 5.429 1.00 1.53 C ATOM 202 CE1 HIS A 14 -2.977 0.364 5.785 1.00 2.26 C ATOM 203 NE2 HIS A 14 -3.661 -0.321 4.840 1.00 0.64 N ATOM 0 H HIS A 14 -4.177 -0.342 9.334 1.00 1.15 H new ATOM 0 HA HIS A 14 -4.274 -3.211 9.618 1.00 1.24 H new ATOM 0 HB2 HIS A 14 -2.631 -3.316 7.579 1.00 2.03 H new ATOM 0 HB3 HIS A 14 -4.362 -3.363 7.307 1.00 2.03 H new ATOM 0 HD2 HIS A 14 -4.451 -2.390 4.958 1.00 1.53 H new ATOM 0 HE1 HIS A 14 -2.605 1.369 5.654 1.00 2.26 H new ATOM 0 HE2 HIS A 14 -3.923 -0.003 3.907 1.00 0.64 H new ATOM 211 N THR A 15 -1.665 -3.182 9.930 1.00 0.85 N ATOM 212 CA THR A 15 -0.310 -3.220 10.513 1.00 0.84 C ATOM 213 C THR A 15 0.617 -4.089 9.663 1.00 0.83 C ATOM 214 O THR A 15 0.165 -4.830 8.792 1.00 1.05 O ATOM 215 CB THR A 15 -0.305 -3.730 11.967 1.00 1.22 C ATOM 216 OG1 THR A 15 -1.012 -4.941 12.079 1.00 1.76 O ATOM 217 CG2 THR A 15 -0.924 -2.730 12.941 1.00 1.82 C ATOM 0 H THR A 15 -1.970 -4.100 9.606 1.00 0.85 H new ATOM 0 HA THR A 15 0.053 -2.192 10.522 1.00 0.84 H new ATOM 0 HB THR A 15 0.744 -3.874 12.227 1.00 1.22 H new ATOM 0 HG1 THR A 15 -0.993 -5.246 13.010 1.00 1.76 H new ATOM 0 HG21 THR A 15 -0.895 -3.140 13.951 1.00 1.82 H new ATOM 0 HG22 THR A 15 -0.361 -1.797 12.911 1.00 1.82 H new ATOM 0 HG23 THR A 15 -1.959 -2.538 12.657 1.00 1.82 H new ATOM 225 N VAL A 16 1.925 -3.984 9.880 1.00 0.83 N ATOM 226 CA VAL A 16 2.954 -4.644 9.058 1.00 0.86 C ATOM 227 C VAL A 16 3.827 -5.509 9.967 1.00 0.82 C ATOM 228 O VAL A 16 4.968 -5.183 10.277 1.00 1.15 O ATOM 229 CB VAL A 16 3.725 -3.602 8.218 1.00 1.14 C ATOM 230 CG1 VAL A 16 4.545 -4.286 7.119 1.00 1.66 C ATOM 231 CG2 VAL A 16 2.750 -2.615 7.546 1.00 1.90 C ATOM 0 H VAL A 16 2.314 -3.430 10.643 1.00 0.83 H new ATOM 0 HA VAL A 16 2.506 -5.315 8.325 1.00 0.86 H new ATOM 0 HB VAL A 16 4.389 -3.067 8.896 1.00 1.14 H new ATOM 0 HG11 VAL A 16 5.079 -3.532 6.541 1.00 1.66 H new ATOM 0 HG12 VAL A 16 5.262 -4.970 7.573 1.00 1.66 H new ATOM 0 HG13 VAL A 16 3.878 -4.843 6.461 1.00 1.66 H new ATOM 0 HG21 VAL A 16 3.314 -1.890 6.959 1.00 1.90 H new ATOM 0 HG22 VAL A 16 2.072 -3.162 6.892 1.00 1.90 H new ATOM 0 HG23 VAL A 16 2.175 -2.094 8.311 1.00 1.90 H new ATOM 241 N GLY A 17 3.222 -6.570 10.503 1.00 1.01 N ATOM 242 CA GLY A 17 3.821 -7.443 11.532 1.00 1.35 C ATOM 243 C GLY A 17 4.009 -6.805 12.922 1.00 1.91 C ATOM 244 O GLY A 17 4.595 -7.424 13.815 1.00 2.31 O ATOM 0 H GLY A 17 2.282 -6.859 10.233 1.00 1.01 H new ATOM 0 HA2 GLY A 17 3.195 -8.328 11.641 1.00 1.35 H new ATOM 0 HA3 GLY A 17 4.793 -7.782 11.174 1.00 1.35 H new ATOM 376 N PRO A 28 -6.256 -6.378 8.631 1.00 2.39 N ATOM 377 CA PRO A 28 -5.283 -7.267 7.984 1.00 1.95 C ATOM 378 C PRO A 28 -3.812 -6.921 8.287 1.00 1.84 C ATOM 379 O PRO A 28 -3.493 -5.844 8.804 1.00 2.22 O ATOM 380 CB PRO A 28 -5.619 -7.219 6.489 1.00 2.20 C ATOM 381 CG PRO A 28 -6.216 -5.827 6.305 1.00 2.61 C ATOM 382 CD PRO A 28 -6.936 -5.566 7.628 1.00 2.71 C ATOM 0 HA PRO A 28 -5.368 -8.279 8.381 1.00 1.95 H new ATOM 0 HB2 PRO A 28 -4.731 -7.360 5.873 1.00 2.20 H new ATOM 0 HB3 PRO A 28 -6.327 -8.000 6.211 1.00 2.20 H new ATOM 0 HG2 PRO A 28 -5.444 -5.082 6.115 1.00 2.61 H new ATOM 0 HG3 PRO A 28 -6.905 -5.795 5.461 1.00 2.61 H new ATOM 0 HD2 PRO A 28 -6.896 -4.509 7.891 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -7.989 -5.837 7.557 1.00 2.71 H new ATOM 390 N ASP A 29 -2.902 -7.844 7.966 1.00 1.54 N ATOM 391 CA ASP A 29 -1.447 -7.683 8.116 1.00 1.41 C ATOM 392 C ASP A 29 -0.721 -7.688 6.757 1.00 1.49 C ATOM 393 O ASP A 29 -0.971 -8.553 5.916 1.00 1.94 O ATOM 394 CB ASP A 29 -0.886 -8.754 9.059 1.00 1.67 C ATOM 395 CG ASP A 29 0.557 -8.451 9.475 1.00 1.87 C ATOM 396 OD1 ASP A 29 1.456 -8.407 8.606 1.00 2.42 O ATOM 397 OD2 ASP A 29 0.806 -8.279 10.688 1.00 2.91 O ATOM 0 H ASP A 29 -3.162 -8.753 7.583 1.00 1.54 H new ATOM 0 HA ASP A 29 -1.264 -6.705 8.561 1.00 1.41 H new ATOM 0 HB2 ASP A 29 -1.514 -8.820 9.948 1.00 1.67 H new ATOM 0 HB3 ASP A 29 -0.926 -9.726 8.568 1.00 1.67 H new ATOM 402 N LEU A 30 0.188 -6.727 6.550 1.00 1.20 N ATOM 403 CA LEU A 30 0.860 -6.474 5.264 1.00 1.34 C ATOM 404 C LEU A 30 2.321 -6.955 5.202 1.00 1.21 C ATOM 405 O LEU A 30 3.002 -6.697 4.208 1.00 1.30 O ATOM 406 CB LEU A 30 0.790 -4.977 4.891 1.00 1.48 C ATOM 407 CG LEU A 30 -0.468 -4.201 5.319 1.00 1.47 C ATOM 408 CD1 LEU A 30 -0.323 -2.742 4.878 1.00 1.65 C ATOM 409 CD2 LEU A 30 -1.751 -4.746 4.682 1.00 2.10 C ATOM 0 H LEU A 30 0.485 -6.088 7.287 1.00 1.20 H new ATOM 0 HA LEU A 30 0.310 -7.071 4.537 1.00 1.34 H new ATOM 0 HB2 LEU A 30 1.657 -4.480 5.326 1.00 1.48 H new ATOM 0 HB3 LEU A 30 0.885 -4.894 3.808 1.00 1.48 H new ATOM 0 HG LEU A 30 -0.551 -4.304 6.401 1.00 1.47 H new ATOM 0 HD11 LEU A 30 -1.209 -2.182 5.176 1.00 1.65 H new ATOM 0 HD12 LEU A 30 0.558 -2.305 5.349 1.00 1.65 H new ATOM 0 HD13 LEU A 30 -0.214 -2.699 3.794 1.00 1.65 H new ATOM 0 HD21 LEU A 30 -2.604 -4.158 5.022 1.00 2.10 H new ATOM 0 HD22 LEU A 30 -1.674 -4.681 3.597 1.00 2.10 H new ATOM 0 HD23 LEU A 30 -1.888 -5.787 4.974 1.00 2.10 H new ATOM 421 N LEU A 31 2.858 -7.588 6.255 1.00 1.12 N ATOM 422 CA LEU A 31 4.253 -8.036 6.246 1.00 1.07 C ATOM 423 C LEU A 31 4.507 -9.000 5.077 1.00 1.16 C ATOM 424 O LEU A 31 3.699 -9.883 4.783 1.00 1.83 O ATOM 425 CB LEU A 31 4.685 -8.601 7.594 1.00 1.04 C ATOM 426 CG LEU A 31 6.204 -8.850 7.701 1.00 1.20 C ATOM 427 CD1 LEU A 31 7.103 -7.668 7.305 1.00 2.39 C ATOM 428 CD2 LEU A 31 6.497 -9.097 9.165 1.00 2.42 C ATOM 0 H LEU A 31 2.351 -7.799 7.115 1.00 1.12 H new ATOM 0 HA LEU A 31 4.887 -7.164 6.083 1.00 1.07 H new ATOM 0 HB2 LEU A 31 4.382 -7.911 8.382 1.00 1.04 H new ATOM 0 HB3 LEU A 31 4.158 -9.539 7.771 1.00 1.04 H new ATOM 0 HG LEU A 31 6.424 -9.670 7.017 1.00 1.20 H new ATOM 0 HD11 LEU A 31 8.149 -7.953 7.418 1.00 2.39 H new ATOM 0 HD12 LEU A 31 6.911 -7.396 6.267 1.00 2.39 H new ATOM 0 HD13 LEU A 31 6.888 -6.815 7.949 1.00 2.39 H new ATOM 0 HD21 LEU A 31 7.563 -9.280 9.297 1.00 2.42 H new ATOM 0 HD22 LEU A 31 6.204 -8.223 9.747 1.00 2.42 H new ATOM 0 HD23 LEU A 31 5.935 -9.966 9.507 1.00 2.42 H new ATOM 440 N GLY A 32 5.629 -8.773 4.399 1.00 0.95 N ATOM 441 CA GLY A 32 6.062 -9.504 3.210 1.00 0.96 C ATOM 442 C GLY A 32 5.413 -9.078 1.887 1.00 0.83 C ATOM 443 O GLY A 32 5.843 -9.567 0.848 1.00 0.85 O ATOM 0 H GLY A 32 6.289 -8.045 4.674 1.00 0.95 H new ATOM 0 HA2 GLY A 32 7.142 -9.395 3.114 1.00 0.96 H new ATOM 0 HA3 GLY A 32 5.861 -10.564 3.366 1.00 0.96 H new ATOM 447 N VAL A 33 4.444 -8.151 1.853 1.00 0.80 N ATOM 448 CA VAL A 33 3.730 -7.776 0.606 1.00 0.77 C ATOM 449 C VAL A 33 4.671 -7.361 -0.545 1.00 0.67 C ATOM 450 O VAL A 33 4.436 -7.717 -1.697 1.00 0.74 O ATOM 451 CB VAL A 33 2.659 -6.702 0.897 1.00 0.89 C ATOM 452 CG1 VAL A 33 3.239 -5.326 1.253 1.00 1.67 C ATOM 453 CG2 VAL A 33 1.697 -6.531 -0.280 1.00 1.46 C ATOM 0 H VAL A 33 4.129 -7.639 2.677 1.00 0.80 H new ATOM 0 HA VAL A 33 3.228 -8.675 0.249 1.00 0.77 H new ATOM 0 HB VAL A 33 2.127 -7.078 1.771 1.00 0.89 H new ATOM 0 HG11 VAL A 33 2.425 -4.626 1.444 1.00 1.67 H new ATOM 0 HG12 VAL A 33 3.860 -5.412 2.145 1.00 1.67 H new ATOM 0 HG13 VAL A 33 3.845 -4.961 0.424 1.00 1.67 H new ATOM 0 HG21 VAL A 33 0.958 -5.767 -0.038 1.00 1.46 H new ATOM 0 HG22 VAL A 33 2.256 -6.228 -1.165 1.00 1.46 H new ATOM 0 HG23 VAL A 33 1.191 -7.476 -0.477 1.00 1.46 H new ATOM 463 N THR A 34 5.793 -6.708 -0.232 1.00 0.68 N ATOM 464 CA THR A 34 6.876 -6.302 -1.154 1.00 0.84 C ATOM 465 C THR A 34 7.701 -7.465 -1.723 1.00 1.02 C ATOM 466 O THR A 34 8.283 -7.327 -2.803 1.00 1.23 O ATOM 467 CB THR A 34 7.828 -5.340 -0.417 1.00 1.09 C ATOM 468 OG1 THR A 34 8.032 -5.825 0.895 1.00 2.83 O ATOM 469 CG2 THR A 34 7.224 -3.942 -0.321 1.00 2.43 C ATOM 0 H THR A 34 5.989 -6.428 0.729 1.00 0.68 H new ATOM 0 HA THR A 34 6.384 -5.828 -2.004 1.00 0.84 H new ATOM 0 HB THR A 34 8.766 -5.285 -0.970 1.00 1.09 H new ATOM 0 HG1 THR A 34 8.381 -5.104 1.460 1.00 2.83 H new ATOM 0 HG21 THR A 34 7.915 -3.282 0.203 1.00 2.43 H new ATOM 0 HG22 THR A 34 7.042 -3.555 -1.323 1.00 2.43 H new ATOM 0 HG23 THR A 34 6.282 -3.989 0.226 1.00 2.43 H new ATOM 477 N ARG A 35 7.727 -8.618 -1.042 1.00 1.12 N ATOM 478 CA ARG A 35 8.323 -9.895 -1.488 1.00 1.41 C ATOM 479 C ARG A 35 7.316 -10.781 -2.238 1.00 1.38 C ATOM 480 O ARG A 35 7.712 -11.700 -2.952 1.00 1.75 O ATOM 481 CB ARG A 35 8.902 -10.592 -0.239 1.00 1.66 C ATOM 482 CG ARG A 35 9.760 -11.842 -0.494 1.00 1.87 C ATOM 483 CD ARG A 35 11.013 -11.549 -1.329 1.00 2.57 C ATOM 484 NE ARG A 35 11.873 -12.741 -1.414 1.00 3.54 N ATOM 485 CZ ARG A 35 13.218 -12.748 -1.453 1.00 4.85 C ATOM 486 NH1 ARG A 35 13.936 -11.615 -1.443 1.00 5.59 N ATOM 487 NH2 ARG A 35 13.860 -13.923 -1.501 1.00 5.83 N ATOM 0 H ARG A 35 7.311 -8.695 -0.114 1.00 1.12 H new ATOM 0 HA ARG A 35 9.116 -9.704 -2.211 1.00 1.41 H new ATOM 0 HB2 ARG A 35 9.506 -9.868 0.308 1.00 1.66 H new ATOM 0 HB3 ARG A 35 8.074 -10.872 0.412 1.00 1.66 H new ATOM 0 HG2 ARG A 35 10.059 -12.272 0.462 1.00 1.87 H new ATOM 0 HG3 ARG A 35 9.157 -12.592 -1.005 1.00 1.87 H new ATOM 0 HD2 ARG A 35 10.723 -11.232 -2.331 1.00 2.57 H new ATOM 0 HD3 ARG A 35 11.569 -10.725 -0.882 1.00 2.57 H new ATOM 0 HE ARG A 35 11.405 -13.647 -1.446 1.00 3.54 H new ATOM 0 HH11 ARG A 35 13.463 -10.712 -1.405 1.00 5.59 H new ATOM 0 HH12 ARG A 35 14.955 -11.657 -1.473 1.00 5.59 H new ATOM 0 HH21 ARG A 35 13.329 -14.794 -1.508 1.00 5.83 H new ATOM 0 HH22 ARG A 35 14.879 -13.946 -1.531 1.00 5.83 H new ATOM 501 N GLN A 36 6.020 -10.508 -2.088 1.00 1.13 N ATOM 502 CA GLN A 36 4.926 -11.318 -2.629 1.00 1.25 C ATOM 503 C GLN A 36 4.367 -10.744 -3.949 1.00 1.40 C ATOM 504 O GLN A 36 4.365 -11.440 -4.971 1.00 2.11 O ATOM 505 CB GLN A 36 3.840 -11.449 -1.548 1.00 1.22 C ATOM 506 CG GLN A 36 4.281 -12.184 -0.263 1.00 1.96 C ATOM 507 CD GLN A 36 3.262 -12.031 0.867 1.00 3.02 C ATOM 508 OE1 GLN A 36 2.166 -11.511 0.693 1.00 3.74 O ATOM 509 NE2 GLN A 36 3.567 -12.428 2.081 1.00 4.24 N ATOM 0 H GLN A 36 5.691 -9.692 -1.571 1.00 1.13 H new ATOM 0 HA GLN A 36 5.305 -12.307 -2.885 1.00 1.25 H new ATOM 0 HB2 GLN A 36 3.496 -10.451 -1.277 1.00 1.22 H new ATOM 0 HB3 GLN A 36 2.986 -11.975 -1.974 1.00 1.22 H new ATOM 0 HG2 GLN A 36 4.422 -13.242 -0.482 1.00 1.96 H new ATOM 0 HG3 GLN A 36 5.245 -11.795 0.064 1.00 1.96 H new ATOM 0 HE21 GLN A 36 4.471 -12.865 2.263 1.00 4.24 H new ATOM 0 HE22 GLN A 36 2.900 -12.299 2.842 1.00 4.24 H new ATOM 518 N ARG A 37 3.929 -9.474 -3.959 1.00 1.04 N ATOM 519 CA ARG A 37 3.254 -8.802 -5.094 1.00 1.14 C ATOM 520 C ARG A 37 4.199 -8.400 -6.233 1.00 1.20 C ATOM 521 O ARG A 37 5.409 -8.252 -6.044 1.00 1.82 O ATOM 522 CB ARG A 37 2.464 -7.578 -4.588 1.00 1.32 C ATOM 523 CG ARG A 37 1.321 -7.907 -3.613 1.00 1.74 C ATOM 524 CD ARG A 37 0.212 -8.750 -4.258 1.00 1.50 C ATOM 525 NE ARG A 37 -0.906 -8.954 -3.326 1.00 1.22 N ATOM 526 CZ ARG A 37 -1.924 -9.814 -3.508 1.00 1.37 C ATOM 527 NH1 ARG A 37 -2.009 -10.581 -4.605 1.00 2.06 N ATOM 528 NH2 ARG A 37 -2.875 -9.907 -2.570 1.00 1.59 N ATOM 0 H ARG A 37 4.037 -8.861 -3.151 1.00 1.04 H new ATOM 0 HA ARG A 37 2.572 -9.536 -5.522 1.00 1.14 H new ATOM 0 HB2 ARG A 37 3.156 -6.894 -4.097 1.00 1.32 H new ATOM 0 HB3 ARG A 37 2.050 -7.050 -5.447 1.00 1.32 H new ATOM 0 HG2 ARG A 37 1.725 -8.443 -2.754 1.00 1.74 H new ATOM 0 HG3 ARG A 37 0.892 -6.978 -3.236 1.00 1.74 H new ATOM 0 HD2 ARG A 37 -0.148 -8.255 -5.160 1.00 1.50 H new ATOM 0 HD3 ARG A 37 0.616 -9.715 -4.564 1.00 1.50 H new ATOM 0 HE ARG A 37 -0.910 -8.398 -2.471 1.00 1.22 H new ATOM 0 HH11 ARG A 37 -1.291 -10.520 -5.327 1.00 2.06 H new ATOM 0 HH12 ARG A 37 -2.792 -11.225 -4.718 1.00 2.06 H new ATOM 0 HH21 ARG A 37 -2.822 -9.330 -1.731 1.00 1.59 H new ATOM 0 HH22 ARG A 37 -3.653 -10.555 -2.695 1.00 1.59 H new ATOM 542 N ASP A 38 3.614 -8.157 -7.406 1.00 1.02 N ATOM 543 CA ASP A 38 4.222 -7.449 -8.539 1.00 1.02 C ATOM 544 C ASP A 38 4.661 -6.038 -8.106 1.00 1.05 C ATOM 545 O ASP A 38 3.845 -5.227 -7.669 1.00 1.23 O ATOM 546 CB ASP A 38 3.199 -7.340 -9.689 1.00 1.12 C ATOM 547 CG ASP A 38 2.965 -8.640 -10.460 1.00 2.60 C ATOM 548 OD1 ASP A 38 2.104 -9.459 -10.053 1.00 3.97 O ATOM 549 OD2 ASP A 38 3.642 -8.831 -11.501 1.00 3.33 O ATOM 0 H ASP A 38 2.661 -8.461 -7.604 1.00 1.02 H new ATOM 0 HA ASP A 38 5.096 -8.006 -8.878 1.00 1.02 H new ATOM 0 HB2 ASP A 38 2.248 -7.000 -9.280 1.00 1.12 H new ATOM 0 HB3 ASP A 38 3.538 -6.575 -10.388 1.00 1.12 H new ATOM 554 N ALA A 39 5.952 -5.735 -8.233 1.00 1.02 N ATOM 555 CA ALA A 39 6.567 -4.553 -7.630 1.00 1.04 C ATOM 556 C ALA A 39 6.064 -3.218 -8.214 1.00 1.04 C ATOM 557 O ALA A 39 5.556 -2.379 -7.465 1.00 1.50 O ATOM 558 CB ALA A 39 8.085 -4.723 -7.747 1.00 1.15 C ATOM 0 H ALA A 39 6.608 -6.309 -8.763 1.00 1.02 H new ATOM 0 HA ALA A 39 6.272 -4.489 -6.583 1.00 1.04 H new ATOM 0 HB1 ALA A 39 8.583 -3.859 -7.307 1.00 1.15 H new ATOM 0 HB2 ALA A 39 8.392 -5.626 -7.219 1.00 1.15 H new ATOM 0 HB3 ALA A 39 8.362 -4.805 -8.798 1.00 1.15 H new ATOM 564 N ASN A 40 6.119 -3.030 -9.541 1.00 0.88 N ATOM 565 CA ASN A 40 5.647 -1.790 -10.179 1.00 0.86 C ATOM 566 C ASN A 40 4.127 -1.590 -10.010 1.00 0.76 C ATOM 567 O ASN A 40 3.661 -0.458 -9.893 1.00 0.90 O ATOM 568 CB ASN A 40 6.069 -1.759 -11.668 1.00 1.03 C ATOM 569 CG ASN A 40 7.206 -0.786 -11.936 1.00 1.70 C ATOM 570 OD1 ASN A 40 7.012 0.416 -12.049 1.00 2.73 O ATOM 571 ND2 ASN A 40 8.428 -1.247 -12.036 1.00 2.42 N ATOM 0 H ASN A 40 6.486 -3.722 -10.195 1.00 0.88 H new ATOM 0 HA ASN A 40 6.122 -0.951 -9.671 1.00 0.86 H new ATOM 0 HB2 ASN A 40 6.372 -2.760 -11.976 1.00 1.03 H new ATOM 0 HB3 ASN A 40 5.209 -1.484 -12.279 1.00 1.03 H new ATOM 0 HD21 ASN A 40 9.203 -0.606 -12.206 1.00 2.42 H new ATOM 0 HD22 ASN A 40 8.605 -2.247 -11.944 1.00 2.42 H new ATOM 578 N TRP A 41 3.357 -2.686 -9.937 1.00 0.66 N ATOM 579 CA TRP A 41 1.922 -2.647 -9.636 1.00 0.61 C ATOM 580 C TRP A 41 1.666 -2.212 -8.188 1.00 0.59 C ATOM 581 O TRP A 41 0.868 -1.304 -7.958 1.00 0.57 O ATOM 582 CB TRP A 41 1.295 -4.019 -9.932 1.00 0.62 C ATOM 583 CG TRP A 41 -0.171 -4.125 -9.632 1.00 0.62 C ATOM 584 CD1 TRP A 41 -1.174 -3.941 -10.521 1.00 0.66 C ATOM 585 CD2 TRP A 41 -0.820 -4.383 -8.347 1.00 0.66 C ATOM 586 NE1 TRP A 41 -2.393 -4.057 -9.877 1.00 0.71 N ATOM 587 CE2 TRP A 41 -2.229 -4.249 -8.521 1.00 0.70 C ATOM 588 CE3 TRP A 41 -0.360 -4.686 -7.045 1.00 0.74 C ATOM 589 CZ2 TRP A 41 -3.126 -4.320 -7.445 1.00 0.79 C ATOM 590 CZ3 TRP A 41 -1.251 -4.752 -5.956 1.00 0.82 C ATOM 591 CH2 TRP A 41 -2.625 -4.538 -6.152 1.00 0.85 C ATOM 0 H TRP A 41 3.717 -3.629 -10.086 1.00 0.66 H new ATOM 0 HA TRP A 41 1.449 -1.902 -10.276 1.00 0.61 H new ATOM 0 HB2 TRP A 41 1.453 -4.254 -10.985 1.00 0.62 H new ATOM 0 HB3 TRP A 41 1.824 -4.776 -9.353 1.00 0.62 H new ATOM 0 HD1 TRP A 41 -1.043 -3.735 -11.573 1.00 0.66 H new ATOM 0 HE1 TRP A 41 -3.298 -4.007 -10.345 1.00 0.71 H new ATOM 0 HE3 TRP A 41 0.692 -4.870 -6.883 1.00 0.74 H new ATOM 0 HZ2 TRP A 41 -4.188 -4.208 -7.609 1.00 0.79 H new ATOM 0 HZ3 TRP A 41 -0.876 -4.968 -4.966 1.00 0.82 H new ATOM 0 HH2 TRP A 41 -3.297 -4.541 -5.307 1.00 0.85 H new ATOM 602 N LEU A 42 2.379 -2.785 -7.210 1.00 0.64 N ATOM 603 CA LEU A 42 2.210 -2.492 -5.782 1.00 0.67 C ATOM 604 C LEU A 42 2.478 -1.014 -5.462 1.00 0.65 C ATOM 605 O LEU A 42 1.696 -0.390 -4.744 1.00 0.66 O ATOM 606 CB LEU A 42 3.140 -3.427 -4.980 1.00 0.79 C ATOM 607 CG LEU A 42 3.169 -3.170 -3.459 1.00 0.98 C ATOM 608 CD1 LEU A 42 1.812 -3.419 -2.800 1.00 1.68 C ATOM 609 CD2 LEU A 42 4.205 -4.071 -2.788 1.00 1.83 C ATOM 0 H LEU A 42 3.104 -3.479 -7.393 1.00 0.64 H new ATOM 0 HA LEU A 42 1.174 -2.674 -5.497 1.00 0.67 H new ATOM 0 HB2 LEU A 42 2.831 -4.458 -5.153 1.00 0.79 H new ATOM 0 HB3 LEU A 42 4.153 -3.328 -5.369 1.00 0.79 H new ATOM 0 HG LEU A 42 3.430 -2.120 -3.327 1.00 0.98 H new ATOM 0 HD11 LEU A 42 1.886 -3.224 -1.730 1.00 1.68 H new ATOM 0 HD12 LEU A 42 1.067 -2.755 -3.239 1.00 1.68 H new ATOM 0 HD13 LEU A 42 1.514 -4.455 -2.960 1.00 1.68 H new ATOM 0 HD21 LEU A 42 4.214 -3.879 -1.715 1.00 1.83 H new ATOM 0 HD22 LEU A 42 3.949 -5.115 -2.967 1.00 1.83 H new ATOM 0 HD23 LEU A 42 5.191 -3.863 -3.202 1.00 1.83 H new ATOM 621 N VAL A 43 3.564 -0.459 -6.007 1.00 0.70 N ATOM 622 CA VAL A 43 3.982 0.942 -5.807 1.00 0.75 C ATOM 623 C VAL A 43 3.053 1.937 -6.524 1.00 0.71 C ATOM 624 O VAL A 43 2.943 3.093 -6.109 1.00 0.87 O ATOM 625 CB VAL A 43 5.469 1.102 -6.188 1.00 0.90 C ATOM 626 CG1 VAL A 43 5.981 2.529 -5.979 1.00 1.15 C ATOM 627 CG2 VAL A 43 6.326 0.182 -5.301 1.00 1.19 C ATOM 0 H VAL A 43 4.196 -0.979 -6.615 1.00 0.70 H new ATOM 0 HA VAL A 43 3.887 1.190 -4.750 1.00 0.75 H new ATOM 0 HB VAL A 43 5.548 0.848 -7.245 1.00 0.90 H new ATOM 0 HG11 VAL A 43 7.032 2.584 -6.263 1.00 1.15 H new ATOM 0 HG12 VAL A 43 5.402 3.217 -6.595 1.00 1.15 H new ATOM 0 HG13 VAL A 43 5.874 2.804 -4.930 1.00 1.15 H new ATOM 0 HG21 VAL A 43 7.377 0.294 -5.569 1.00 1.19 H new ATOM 0 HG22 VAL A 43 6.187 0.453 -4.254 1.00 1.19 H new ATOM 0 HG23 VAL A 43 6.022 -0.854 -5.450 1.00 1.19 H new ATOM 637 N ARG A 44 2.309 1.499 -7.551 1.00 0.66 N ATOM 638 CA ARG A 44 1.180 2.260 -8.125 1.00 0.69 C ATOM 639 C ARG A 44 -0.096 2.150 -7.281 1.00 0.73 C ATOM 640 O ARG A 44 -0.672 3.171 -6.902 1.00 0.94 O ATOM 641 CB ARG A 44 0.978 1.903 -9.606 1.00 0.62 C ATOM 642 CG ARG A 44 0.508 3.147 -10.373 1.00 1.46 C ATOM 643 CD ARG A 44 0.439 2.913 -11.886 1.00 1.84 C ATOM 644 NE ARG A 44 -0.917 2.575 -12.338 1.00 2.94 N ATOM 645 CZ ARG A 44 -1.895 3.469 -12.570 1.00 3.85 C ATOM 646 NH1 ARG A 44 -1.736 4.782 -12.333 1.00 4.28 N ATOM 647 NH2 ARG A 44 -3.063 3.038 -13.056 1.00 5.13 N ATOM 0 H ARG A 44 2.471 0.603 -8.011 1.00 0.66 H new ATOM 0 HA ARG A 44 1.438 3.319 -8.093 1.00 0.69 H new ATOM 0 HB2 ARG A 44 1.910 1.531 -10.032 1.00 0.62 H new ATOM 0 HB3 ARG A 44 0.242 1.104 -9.702 1.00 0.62 H new ATOM 0 HG2 ARG A 44 -0.476 3.444 -10.009 1.00 1.46 H new ATOM 0 HG3 ARG A 44 1.187 3.975 -10.167 1.00 1.46 H new ATOM 0 HD2 ARG A 44 0.780 3.809 -12.406 1.00 1.84 H new ATOM 0 HD3 ARG A 44 1.121 2.108 -12.158 1.00 1.84 H new ATOM 0 HE ARG A 44 -1.133 1.589 -12.487 1.00 2.94 H new ATOM 0 HH11 ARG A 44 -0.851 5.130 -11.965 1.00 4.28 H new ATOM 0 HH12 ARG A 44 -2.500 5.430 -12.521 1.00 4.28 H new ATOM 0 HH21 ARG A 44 -3.202 2.045 -13.245 1.00 5.13 H new ATOM 0 HH22 ARG A 44 -3.816 3.702 -13.238 1.00 5.13 H new ATOM 661 N TRP A 45 -0.499 0.929 -6.927 1.00 0.66 N ATOM 662 CA TRP A 45 -1.715 0.632 -6.163 1.00 0.73 C ATOM 663 C TRP A 45 -1.749 1.323 -4.802 1.00 0.94 C ATOM 664 O TRP A 45 -2.732 1.984 -4.480 1.00 1.07 O ATOM 665 CB TRP A 45 -1.860 -0.889 -6.002 1.00 0.78 C ATOM 666 CG TRP A 45 -2.807 -1.307 -4.917 1.00 0.89 C ATOM 667 CD1 TRP A 45 -2.438 -1.906 -3.761 1.00 1.15 C ATOM 668 CD2 TRP A 45 -4.251 -1.093 -4.815 1.00 0.82 C ATOM 669 NE1 TRP A 45 -3.550 -2.109 -2.969 1.00 1.21 N ATOM 670 CE2 TRP A 45 -4.693 -1.613 -3.561 1.00 1.02 C ATOM 671 CE3 TRP A 45 -5.227 -0.483 -5.635 1.00 0.77 C ATOM 672 CZ2 TRP A 45 -6.033 -1.550 -3.147 1.00 1.09 C ATOM 673 CZ3 TRP A 45 -6.573 -0.404 -5.223 1.00 0.93 C ATOM 674 CH2 TRP A 45 -6.978 -0.942 -3.989 1.00 1.05 C ATOM 0 H TRP A 45 0.028 0.091 -7.171 1.00 0.66 H new ATOM 0 HA TRP A 45 -2.560 1.029 -6.726 1.00 0.73 H new ATOM 0 HB2 TRP A 45 -2.200 -1.312 -6.947 1.00 0.78 H new ATOM 0 HB3 TRP A 45 -0.879 -1.316 -5.796 1.00 0.78 H new ATOM 0 HD1 TRP A 45 -1.428 -2.183 -3.498 1.00 1.15 H new ATOM 0 HE1 TRP A 45 -3.529 -2.569 -2.059 1.00 1.21 H new ATOM 0 HE3 TRP A 45 -4.938 -0.072 -6.591 1.00 0.77 H new ATOM 0 HZ2 TRP A 45 -6.333 -1.963 -2.195 1.00 1.09 H new ATOM 0 HZ3 TRP A 45 -7.300 0.075 -5.862 1.00 0.93 H new ATOM 0 HH2 TRP A 45 -8.014 -0.888 -3.689 1.00 1.05 H new ATOM 685 N LEU A 46 -0.676 1.233 -4.009 1.00 1.04 N ATOM 686 CA LEU A 46 -0.672 1.805 -2.654 1.00 1.29 C ATOM 687 C LEU A 46 -0.717 3.347 -2.651 1.00 1.39 C ATOM 688 O LEU A 46 -1.082 3.942 -1.637 1.00 1.64 O ATOM 689 CB LEU A 46 0.457 1.165 -1.816 1.00 1.40 C ATOM 690 CG LEU A 46 1.762 1.951 -1.574 1.00 1.32 C ATOM 691 CD1 LEU A 46 2.764 1.011 -0.899 1.00 2.64 C ATOM 692 CD2 LEU A 46 2.402 2.495 -2.847 1.00 1.80 C ATOM 0 H LEU A 46 0.195 0.774 -4.277 1.00 1.04 H new ATOM 0 HA LEU A 46 -1.603 1.543 -2.152 1.00 1.29 H new ATOM 0 HB2 LEU A 46 0.039 0.917 -0.840 1.00 1.40 H new ATOM 0 HB3 LEU A 46 0.727 0.224 -2.296 1.00 1.40 H new ATOM 0 HG LEU A 46 1.506 2.812 -0.956 1.00 1.32 H new ATOM 0 HD11 LEU A 46 3.697 1.544 -0.717 1.00 2.64 H new ATOM 0 HD12 LEU A 46 2.354 0.662 0.049 1.00 2.64 H new ATOM 0 HD13 LEU A 46 2.955 0.156 -1.548 1.00 2.64 H new ATOM 0 HD21 LEU A 46 3.314 3.035 -2.594 1.00 1.80 H new ATOM 0 HD22 LEU A 46 2.643 1.668 -3.515 1.00 1.80 H new ATOM 0 HD23 LEU A 46 1.706 3.171 -3.344 1.00 1.80 H new ATOM 704 N LYS A 47 -0.377 3.970 -3.790 1.00 1.26 N ATOM 705 CA LYS A 47 -0.339 5.416 -4.031 1.00 1.34 C ATOM 706 C LYS A 47 -1.692 5.950 -4.501 1.00 1.30 C ATOM 707 O LYS A 47 -2.132 6.978 -3.989 1.00 1.61 O ATOM 708 CB LYS A 47 0.766 5.697 -5.071 1.00 1.35 C ATOM 709 CG LYS A 47 0.883 7.170 -5.509 1.00 1.33 C ATOM 710 CD LYS A 47 1.733 7.323 -6.780 1.00 1.53 C ATOM 711 CE LYS A 47 0.981 6.831 -8.024 1.00 3.04 C ATOM 712 NZ LYS A 47 1.861 6.812 -9.212 1.00 3.44 N ATOM 0 H LYS A 47 -0.104 3.441 -4.618 1.00 1.26 H new ATOM 0 HA LYS A 47 -0.116 5.935 -3.099 1.00 1.34 H new ATOM 0 HB2 LYS A 47 1.723 5.378 -4.658 1.00 1.35 H new ATOM 0 HB3 LYS A 47 0.579 5.084 -5.953 1.00 1.35 H new ATOM 0 HG2 LYS A 47 -0.113 7.576 -5.687 1.00 1.33 H new ATOM 0 HG3 LYS A 47 1.326 7.755 -4.703 1.00 1.33 H new ATOM 0 HD2 LYS A 47 2.008 8.370 -6.911 1.00 1.53 H new ATOM 0 HD3 LYS A 47 2.660 6.761 -6.668 1.00 1.53 H new ATOM 0 HE2 LYS A 47 0.590 5.830 -7.843 1.00 3.04 H new ATOM 0 HE3 LYS A 47 0.125 7.478 -8.214 1.00 3.04 H new ATOM 0 HZ1 LYS A 47 1.324 6.475 -10.036 1.00 3.44 H new ATOM 0 HZ2 LYS A 47 2.214 7.772 -9.398 1.00 3.44 H new ATOM 0 HZ3 LYS A 47 2.665 6.175 -9.039 1.00 3.44 H new ATOM 726 N VAL A 48 -2.334 5.298 -5.476 1.00 0.96 N ATOM 727 CA VAL A 48 -3.493 5.857 -6.204 1.00 0.84 C ATOM 728 C VAL A 48 -4.713 4.899 -6.283 1.00 0.68 C ATOM 729 O VAL A 48 -5.338 4.741 -7.336 1.00 0.60 O ATOM 730 CB VAL A 48 -2.977 6.463 -7.534 1.00 0.94 C ATOM 731 CG1 VAL A 48 -2.831 5.494 -8.713 1.00 1.68 C ATOM 732 CG2 VAL A 48 -3.786 7.697 -7.926 1.00 1.51 C ATOM 0 H VAL A 48 -2.068 4.364 -5.788 1.00 0.96 H new ATOM 0 HA VAL A 48 -3.942 6.675 -5.640 1.00 0.84 H new ATOM 0 HB VAL A 48 -1.950 6.750 -7.310 1.00 0.94 H new ATOM 0 HG11 VAL A 48 -2.463 6.035 -9.585 1.00 1.68 H new ATOM 0 HG12 VAL A 48 -2.126 4.706 -8.451 1.00 1.68 H new ATOM 0 HG13 VAL A 48 -3.800 5.052 -8.943 1.00 1.68 H new ATOM 0 HG21 VAL A 48 -3.402 8.101 -8.863 1.00 1.51 H new ATOM 0 HG22 VAL A 48 -4.833 7.421 -8.052 1.00 1.51 H new ATOM 0 HG23 VAL A 48 -3.701 8.451 -7.144 1.00 1.51 H new ATOM 742 N PRO A 49 -5.093 4.233 -5.171 1.00 0.71 N ATOM 743 CA PRO A 49 -6.015 3.089 -5.191 1.00 0.68 C ATOM 744 C PRO A 49 -7.436 3.453 -5.646 1.00 0.67 C ATOM 745 O PRO A 49 -8.056 2.711 -6.407 1.00 0.80 O ATOM 746 CB PRO A 49 -6.027 2.558 -3.752 1.00 0.80 C ATOM 747 CG PRO A 49 -5.705 3.799 -2.920 1.00 0.91 C ATOM 748 CD PRO A 49 -4.707 4.536 -3.797 1.00 0.83 C ATOM 0 HA PRO A 49 -5.677 2.349 -5.916 1.00 0.68 H new ATOM 0 HB2 PRO A 49 -6.996 2.135 -3.487 1.00 0.80 H new ATOM 0 HB3 PRO A 49 -5.286 1.772 -3.606 1.00 0.80 H new ATOM 0 HG2 PRO A 49 -6.594 4.399 -2.726 1.00 0.91 H new ATOM 0 HG3 PRO A 49 -5.278 3.538 -1.951 1.00 0.91 H new ATOM 0 HD2 PRO A 49 -4.738 5.609 -3.609 1.00 0.83 H new ATOM 0 HD3 PRO A 49 -3.688 4.206 -3.594 1.00 0.83 H new ATOM 756 N ASP A 50 -7.943 4.614 -5.219 1.00 0.81 N ATOM 757 CA ASP A 50 -9.287 5.081 -5.561 1.00 0.93 C ATOM 758 C ASP A 50 -9.429 5.349 -7.066 1.00 0.92 C ATOM 759 O ASP A 50 -10.459 5.003 -7.650 1.00 1.02 O ATOM 760 CB ASP A 50 -9.593 6.334 -4.729 1.00 1.18 C ATOM 761 CG ASP A 50 -10.957 6.922 -5.063 1.00 1.34 C ATOM 762 OD1 ASP A 50 -11.981 6.359 -4.607 1.00 2.34 O ATOM 763 OD2 ASP A 50 -11.004 7.940 -5.793 1.00 1.96 O ATOM 0 H ASP A 50 -7.427 5.260 -4.622 1.00 0.81 H new ATOM 0 HA ASP A 50 -10.013 4.303 -5.324 1.00 0.93 H new ATOM 0 HB2 ASP A 50 -9.556 6.083 -3.669 1.00 1.18 H new ATOM 0 HB3 ASP A 50 -8.822 7.084 -4.906 1.00 1.18 H new ATOM 768 N GLN A 51 -8.383 5.892 -7.700 1.00 0.89 N ATOM 769 CA GLN A 51 -8.327 6.099 -9.142 1.00 0.94 C ATOM 770 C GLN A 51 -8.201 4.784 -9.918 1.00 0.86 C ATOM 771 O GLN A 51 -8.837 4.648 -10.959 1.00 1.00 O ATOM 772 CB GLN A 51 -7.146 7.018 -9.474 1.00 1.02 C ATOM 773 CG GLN A 51 -7.039 7.390 -10.955 1.00 1.30 C ATOM 774 CD GLN A 51 -8.288 8.091 -11.472 1.00 2.50 C ATOM 775 OE1 GLN A 51 -8.459 9.294 -11.312 1.00 2.93 O ATOM 776 NE2 GLN A 51 -9.213 7.361 -12.050 1.00 4.14 N ATOM 0 H GLN A 51 -7.542 6.203 -7.214 1.00 0.89 H new ATOM 0 HA GLN A 51 -9.265 6.561 -9.449 1.00 0.94 H new ATOM 0 HB2 GLN A 51 -7.235 7.932 -8.887 1.00 1.02 H new ATOM 0 HB3 GLN A 51 -6.222 6.529 -9.166 1.00 1.02 H new ATOM 0 HG2 GLN A 51 -6.175 8.038 -11.102 1.00 1.30 H new ATOM 0 HG3 GLN A 51 -6.864 6.488 -11.541 1.00 1.30 H new ATOM 0 HE21 GLN A 51 -9.065 6.360 -12.181 1.00 4.14 H new ATOM 0 HE22 GLN A 51 -10.080 7.794 -12.369 1.00 4.14 H new ATOM 785 N MET A 52 -7.424 3.812 -9.433 1.00 0.70 N ATOM 786 CA MET A 52 -7.283 2.511 -10.096 1.00 0.67 C ATOM 787 C MET A 52 -8.588 1.696 -10.073 1.00 0.69 C ATOM 788 O MET A 52 -8.882 0.963 -11.017 1.00 0.78 O ATOM 789 CB MET A 52 -6.135 1.732 -9.438 1.00 0.62 C ATOM 790 CG MET A 52 -4.793 2.236 -9.964 1.00 1.52 C ATOM 791 SD MET A 52 -3.315 1.494 -9.227 1.00 2.03 S ATOM 792 CE MET A 52 -3.440 -0.203 -9.844 1.00 1.22 C ATOM 0 H MET A 52 -6.878 3.902 -8.576 1.00 0.70 H new ATOM 0 HA MET A 52 -7.052 2.687 -11.147 1.00 0.67 H new ATOM 0 HB2 MET A 52 -6.178 1.850 -8.355 1.00 0.62 H new ATOM 0 HB3 MET A 52 -6.240 0.667 -9.647 1.00 0.62 H new ATOM 0 HG2 MET A 52 -4.761 2.066 -11.040 1.00 1.52 H new ATOM 0 HG3 MET A 52 -4.748 3.314 -9.810 1.00 1.52 H new ATOM 0 HE1 MET A 52 -2.570 -0.773 -9.519 1.00 1.22 H new ATOM 0 HE2 MET A 52 -4.345 -0.667 -9.452 1.00 1.22 H new ATOM 0 HE3 MET A 52 -3.480 -0.192 -10.933 1.00 1.22 H new ATOM 802 N LEU A 53 -9.420 1.864 -9.042 1.00 0.67 N ATOM 803 CA LEU A 53 -10.796 1.359 -9.041 1.00 0.78 C ATOM 804 C LEU A 53 -11.701 2.136 -10.003 1.00 0.86 C ATOM 805 O LEU A 53 -12.409 1.549 -10.824 1.00 0.83 O ATOM 806 CB LEU A 53 -11.332 1.400 -7.597 1.00 0.82 C ATOM 807 CG LEU A 53 -11.355 -0.019 -7.025 1.00 0.95 C ATOM 808 CD1 LEU A 53 -11.270 0.008 -5.500 1.00 1.81 C ATOM 809 CD2 LEU A 53 -12.625 -0.750 -7.461 1.00 2.12 C ATOM 0 H LEU A 53 -9.160 2.353 -8.186 1.00 0.67 H new ATOM 0 HA LEU A 53 -10.796 0.331 -9.402 1.00 0.78 H new ATOM 0 HB2 LEU A 53 -10.702 2.042 -6.981 1.00 0.82 H new ATOM 0 HB3 LEU A 53 -12.335 1.827 -7.581 1.00 0.82 H new ATOM 0 HG LEU A 53 -10.487 -0.552 -7.413 1.00 0.95 H new ATOM 0 HD11 LEU A 53 -11.288 -1.012 -5.116 1.00 1.81 H new ATOM 0 HD12 LEU A 53 -10.343 0.494 -5.196 1.00 1.81 H new ATOM 0 HD13 LEU A 53 -12.118 0.562 -5.098 1.00 1.81 H new ATOM 0 HD21 LEU A 53 -12.626 -1.758 -7.046 1.00 2.12 H new ATOM 0 HD22 LEU A 53 -13.499 -0.208 -7.100 1.00 2.12 H new ATOM 0 HD23 LEU A 53 -12.657 -0.806 -8.549 1.00 2.12 H new ATOM 821 N ALA A 54 -11.621 3.464 -9.949 1.00 1.08 N ATOM 822 CA ALA A 54 -12.391 4.360 -10.813 1.00 1.35 C ATOM 823 C ALA A 54 -12.073 4.192 -12.316 1.00 1.48 C ATOM 824 O ALA A 54 -12.962 4.383 -13.145 1.00 1.77 O ATOM 825 CB ALA A 54 -12.171 5.804 -10.354 1.00 1.46 C ATOM 0 H ALA A 54 -11.012 3.956 -9.295 1.00 1.08 H new ATOM 0 HA ALA A 54 -13.443 4.093 -10.714 1.00 1.35 H new ATOM 0 HB1 ALA A 54 -12.741 6.479 -10.992 1.00 1.46 H new ATOM 0 HB2 ALA A 54 -12.504 5.912 -9.322 1.00 1.46 H new ATOM 0 HB3 ALA A 54 -11.111 6.050 -10.421 1.00 1.46 H new ATOM 831 N GLU A 55 -10.853 3.782 -12.677 1.00 1.35 N ATOM 832 CA GLU A 55 -10.426 3.522 -14.061 1.00 1.55 C ATOM 833 C GLU A 55 -10.606 2.057 -14.503 1.00 1.44 C ATOM 834 O GLU A 55 -10.496 1.767 -15.694 1.00 1.65 O ATOM 835 CB GLU A 55 -8.978 4.020 -14.259 1.00 1.69 C ATOM 836 CG GLU A 55 -7.862 3.025 -13.934 1.00 1.78 C ATOM 837 CD GLU A 55 -6.489 3.648 -14.223 1.00 2.11 C ATOM 838 OE1 GLU A 55 -6.065 3.616 -15.405 1.00 2.28 O ATOM 839 OE2 GLU A 55 -5.830 4.193 -13.306 1.00 3.44 O ATOM 0 H GLU A 55 -10.111 3.616 -11.997 1.00 1.35 H new ATOM 0 HA GLU A 55 -11.089 4.086 -14.717 1.00 1.55 H new ATOM 0 HB2 GLU A 55 -8.864 4.333 -15.297 1.00 1.69 H new ATOM 0 HB3 GLU A 55 -8.835 4.907 -13.641 1.00 1.69 H new ATOM 0 HG2 GLU A 55 -7.922 2.731 -12.886 1.00 1.78 H new ATOM 0 HG3 GLU A 55 -7.990 2.119 -14.527 1.00 1.78 H new ATOM 846 N LYS A 56 -10.877 1.143 -13.557 1.00 1.26 N ATOM 847 CA LYS A 56 -10.794 -0.324 -13.710 1.00 1.13 C ATOM 848 C LYS A 56 -9.412 -0.758 -14.208 1.00 1.38 C ATOM 849 O LYS A 56 -9.194 -1.044 -15.386 1.00 2.16 O ATOM 850 CB LYS A 56 -11.958 -0.894 -14.547 1.00 1.43 C ATOM 851 CG LYS A 56 -13.353 -0.462 -14.079 1.00 2.24 C ATOM 852 CD LYS A 56 -13.755 -0.961 -12.682 1.00 3.57 C ATOM 853 CE LYS A 56 -15.074 -0.340 -12.203 1.00 4.66 C ATOM 854 NZ LYS A 56 -14.956 1.130 -12.050 1.00 5.59 N ATOM 0 H LYS A 56 -11.174 1.416 -12.620 1.00 1.26 H new ATOM 0 HA LYS A 56 -10.913 -0.765 -12.720 1.00 1.13 H new ATOM 0 HB2 LYS A 56 -11.826 -0.587 -15.585 1.00 1.43 H new ATOM 0 HB3 LYS A 56 -11.903 -1.982 -14.527 1.00 1.43 H new ATOM 0 HG2 LYS A 56 -13.401 0.627 -14.087 1.00 2.24 H new ATOM 0 HG3 LYS A 56 -14.088 -0.818 -14.801 1.00 2.24 H new ATOM 0 HD2 LYS A 56 -13.852 -2.047 -12.700 1.00 3.57 H new ATOM 0 HD3 LYS A 56 -12.964 -0.723 -11.971 1.00 3.57 H new ATOM 0 HE2 LYS A 56 -15.866 -0.571 -12.915 1.00 4.66 H new ATOM 0 HE3 LYS A 56 -15.362 -0.784 -11.250 1.00 4.66 H new ATOM 0 HZ1 LYS A 56 -15.731 1.480 -11.451 1.00 5.59 H new ATOM 0 HZ2 LYS A 56 -14.044 1.361 -11.606 1.00 5.59 H new ATOM 0 HZ3 LYS A 56 -15.010 1.582 -12.985 1.00 5.59 H new ATOM 868 N ASP A 57 -8.481 -0.824 -13.266 1.00 1.09 N ATOM 869 CA ASP A 57 -7.129 -1.348 -13.401 1.00 1.35 C ATOM 870 C ASP A 57 -7.159 -2.736 -12.765 1.00 1.33 C ATOM 871 O ASP A 57 -7.603 -2.890 -11.618 1.00 1.19 O ATOM 872 CB ASP A 57 -6.087 -0.446 -12.717 1.00 1.49 C ATOM 873 CG ASP A 57 -4.760 -0.440 -13.481 1.00 2.34 C ATOM 874 OD1 ASP A 57 -4.017 -1.450 -13.474 1.00 2.12 O ATOM 875 OD2 ASP A 57 -4.425 0.584 -14.112 1.00 3.81 O ATOM 0 H ASP A 57 -8.664 -0.489 -12.320 1.00 1.09 H new ATOM 0 HA ASP A 57 -6.831 -1.389 -14.449 1.00 1.35 H new ATOM 0 HB2 ASP A 57 -6.473 0.571 -12.649 1.00 1.49 H new ATOM 0 HB3 ASP A 57 -5.919 -0.792 -11.697 1.00 1.49 H new ATOM 880 N PRO A 58 -6.763 -3.763 -13.518 1.00 1.61 N ATOM 881 CA PRO A 58 -6.966 -5.135 -13.101 1.00 1.87 C ATOM 882 C PRO A 58 -6.064 -5.523 -11.923 1.00 2.28 C ATOM 883 O PRO A 58 -5.194 -4.760 -11.487 1.00 4.26 O ATOM 884 CB PRO A 58 -6.790 -5.922 -14.386 1.00 2.15 C ATOM 885 CG PRO A 58 -5.809 -5.097 -15.213 1.00 2.22 C ATOM 886 CD PRO A 58 -6.275 -3.697 -14.888 1.00 1.81 C ATOM 0 HA PRO A 58 -7.948 -5.339 -12.674 1.00 1.87 H new ATOM 0 HB2 PRO A 58 -6.400 -6.921 -14.189 1.00 2.15 H new ATOM 0 HB3 PRO A 58 -7.739 -6.048 -14.907 1.00 2.15 H new ATOM 0 HG2 PRO A 58 -4.774 -5.267 -14.918 1.00 2.22 H new ATOM 0 HG3 PRO A 58 -5.877 -5.319 -16.278 1.00 2.22 H new ATOM 0 HD2 PRO A 58 -5.460 -2.980 -14.981 1.00 1.81 H new ATOM 0 HD3 PRO A 58 -7.062 -3.376 -15.571 1.00 1.81 H new ATOM 894 N LEU A 59 -6.351 -6.684 -11.336 1.00 0.72 N ATOM 895 CA LEU A 59 -6.037 -7.082 -9.971 1.00 0.64 C ATOM 896 C LEU A 59 -6.584 -6.160 -8.859 1.00 0.62 C ATOM 897 O LEU A 59 -7.127 -6.688 -7.898 1.00 0.76 O ATOM 898 CB LEU A 59 -4.538 -7.383 -9.888 1.00 0.83 C ATOM 899 CG LEU A 59 -4.076 -8.054 -8.590 1.00 1.13 C ATOM 900 CD1 LEU A 59 -4.833 -9.337 -8.247 1.00 1.63 C ATOM 901 CD2 LEU A 59 -2.611 -8.410 -8.807 1.00 1.45 C ATOM 0 H LEU A 59 -6.844 -7.421 -11.840 1.00 0.72 H new ATOM 0 HA LEU A 59 -6.591 -7.994 -9.750 1.00 0.64 H new ATOM 0 HB2 LEU A 59 -4.266 -8.025 -10.726 1.00 0.83 H new ATOM 0 HB3 LEU A 59 -3.989 -6.449 -10.010 1.00 0.83 H new ATOM 0 HG LEU A 59 -4.255 -7.367 -7.763 1.00 1.13 H new ATOM 0 HD11 LEU A 59 -4.446 -9.750 -7.315 1.00 1.63 H new ATOM 0 HD12 LEU A 59 -5.894 -9.114 -8.133 1.00 1.63 H new ATOM 0 HD13 LEU A 59 -4.699 -10.064 -9.048 1.00 1.63 H new ATOM 0 HD21 LEU A 59 -2.218 -8.895 -7.913 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -2.523 -9.088 -9.656 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -2.042 -7.502 -9.007 1.00 1.45 H new ATOM 913 N ALA A 60 -6.560 -4.823 -8.956 1.00 0.58 N ATOM 914 CA ALA A 60 -7.015 -3.961 -7.852 1.00 0.63 C ATOM 915 C ALA A 60 -8.518 -4.098 -7.554 1.00 0.71 C ATOM 916 O ALA A 60 -8.932 -4.373 -6.428 1.00 0.67 O ATOM 917 CB ALA A 60 -6.695 -2.511 -8.188 1.00 0.71 C ATOM 0 H ALA A 60 -6.234 -4.317 -9.779 1.00 0.58 H new ATOM 0 HA ALA A 60 -6.486 -4.282 -6.955 1.00 0.63 H new ATOM 0 HB1 ALA A 60 -7.029 -1.867 -7.375 1.00 0.71 H new ATOM 0 HB2 ALA A 60 -5.619 -2.397 -8.322 1.00 0.71 H new ATOM 0 HB3 ALA A 60 -7.207 -2.229 -9.108 1.00 0.71 H new ATOM 923 N MET A 61 -9.336 -3.978 -8.598 1.00 0.90 N ATOM 924 CA MET A 61 -10.795 -4.124 -8.537 1.00 1.09 C ATOM 925 C MET A 61 -11.276 -5.571 -8.276 1.00 1.09 C ATOM 926 O MET A 61 -12.468 -5.800 -8.072 1.00 1.30 O ATOM 927 CB MET A 61 -11.402 -3.450 -9.774 1.00 1.78 C ATOM 928 CG MET A 61 -10.864 -4.017 -11.097 1.00 0.81 C ATOM 929 SD MET A 61 -12.125 -4.318 -12.351 1.00 2.70 S ATOM 930 CE MET A 61 -12.989 -5.649 -11.479 1.00 2.96 C ATOM 0 H MET A 61 -8.996 -3.771 -9.537 1.00 0.90 H new ATOM 0 HA MET A 61 -11.169 -3.608 -7.653 1.00 1.09 H new ATOM 0 HB2 MET A 61 -12.485 -3.568 -9.749 1.00 1.78 H new ATOM 0 HB3 MET A 61 -11.197 -2.380 -9.734 1.00 1.78 H new ATOM 0 HG2 MET A 61 -10.126 -3.324 -11.501 1.00 0.81 H new ATOM 0 HG3 MET A 61 -10.344 -4.952 -10.892 1.00 0.81 H new ATOM 0 HE1 MET A 61 -13.476 -6.302 -12.203 1.00 2.96 H new ATOM 0 HE2 MET A 61 -12.273 -6.226 -10.894 1.00 2.96 H new ATOM 0 HE3 MET A 61 -13.739 -5.221 -10.814 1.00 2.96 H new ATOM 940 N LEU A 62 -10.348 -6.531 -8.198 1.00 1.03 N ATOM 941 CA LEU A 62 -10.565 -7.866 -7.628 1.00 1.14 C ATOM 942 C LEU A 62 -10.017 -8.016 -6.202 1.00 0.93 C ATOM 943 O LEU A 62 -10.578 -8.766 -5.405 1.00 1.00 O ATOM 944 CB LEU A 62 -9.862 -8.904 -8.501 1.00 1.39 C ATOM 945 CG LEU A 62 -10.387 -9.042 -9.942 1.00 3.03 C ATOM 946 CD1 LEU A 62 -9.669 -10.200 -10.629 1.00 3.05 C ATOM 947 CD2 LEU A 62 -11.887 -9.333 -9.999 1.00 4.50 C ATOM 0 H LEU A 62 -9.396 -6.397 -8.540 1.00 1.03 H new ATOM 0 HA LEU A 62 -11.644 -8.014 -7.594 1.00 1.14 H new ATOM 0 HB2 LEU A 62 -8.802 -8.655 -8.544 1.00 1.39 H new ATOM 0 HB3 LEU A 62 -9.942 -9.875 -8.012 1.00 1.39 H new ATOM 0 HG LEU A 62 -10.199 -8.090 -10.439 1.00 3.03 H new ATOM 0 HD11 LEU A 62 -10.037 -10.302 -11.650 1.00 3.05 H new ATOM 0 HD12 LEU A 62 -8.597 -10.004 -10.648 1.00 3.05 H new ATOM 0 HD13 LEU A 62 -9.859 -11.123 -10.081 1.00 3.05 H new ATOM 0 HD21 LEU A 62 -12.201 -9.420 -11.039 1.00 4.50 H new ATOM 0 HD22 LEU A 62 -12.097 -10.267 -9.477 1.00 4.50 H new ATOM 0 HD23 LEU A 62 -12.434 -8.520 -9.522 1.00 4.50 H new ATOM 959 N LEU A 63 -8.919 -7.335 -5.861 1.00 0.85 N ATOM 960 CA LEU A 63 -8.294 -7.444 -4.544 1.00 0.89 C ATOM 961 C LEU A 63 -9.176 -6.795 -3.479 1.00 0.84 C ATOM 962 O LEU A 63 -9.279 -7.290 -2.359 1.00 0.95 O ATOM 963 CB LEU A 63 -6.895 -6.821 -4.661 1.00 0.99 C ATOM 964 CG LEU A 63 -6.066 -6.832 -3.364 1.00 1.06 C ATOM 965 CD1 LEU A 63 -4.600 -6.989 -3.745 1.00 2.12 C ATOM 966 CD2 LEU A 63 -6.205 -5.524 -2.575 1.00 2.10 C ATOM 0 H LEU A 63 -8.440 -6.693 -6.492 1.00 0.85 H new ATOM 0 HA LEU A 63 -8.186 -8.480 -4.224 1.00 0.89 H new ATOM 0 HB2 LEU A 63 -6.340 -7.354 -5.433 1.00 0.99 H new ATOM 0 HB3 LEU A 63 -7.000 -5.790 -4.998 1.00 0.99 H new ATOM 0 HG LEU A 63 -6.426 -7.649 -2.739 1.00 1.06 H new ATOM 0 HD11 LEU A 63 -3.989 -7.000 -2.843 1.00 2.12 H new ATOM 0 HD12 LEU A 63 -4.463 -7.925 -4.287 1.00 2.12 H new ATOM 0 HD13 LEU A 63 -4.297 -6.155 -4.378 1.00 2.12 H new ATOM 0 HD21 LEU A 63 -5.602 -5.580 -1.669 1.00 2.10 H new ATOM 0 HD22 LEU A 63 -5.862 -4.691 -3.188 1.00 2.10 H new ATOM 0 HD23 LEU A 63 -7.250 -5.370 -2.307 1.00 2.10 H new ATOM 978 N PHE A 64 -9.871 -5.719 -3.848 1.00 0.74 N ATOM 979 CA PHE A 64 -10.690 -4.976 -2.882 1.00 0.73 C ATOM 980 C PHE A 64 -11.940 -5.764 -2.453 1.00 0.76 C ATOM 981 O PHE A 64 -12.262 -5.830 -1.268 1.00 0.90 O ATOM 982 CB PHE A 64 -10.955 -3.545 -3.375 1.00 0.71 C ATOM 983 CG PHE A 64 -12.306 -3.254 -4.005 1.00 0.68 C ATOM 984 CD1 PHE A 64 -12.727 -3.920 -5.171 1.00 1.92 C ATOM 985 CD2 PHE A 64 -13.119 -2.248 -3.450 1.00 1.68 C ATOM 986 CE1 PHE A 64 -13.960 -3.594 -5.766 1.00 1.97 C ATOM 987 CE2 PHE A 64 -14.322 -1.883 -4.071 1.00 1.69 C ATOM 988 CZ PHE A 64 -14.748 -2.560 -5.229 1.00 0.81 C ATOM 0 H PHE A 64 -9.886 -5.343 -4.796 1.00 0.74 H new ATOM 0 HA PHE A 64 -10.125 -4.861 -1.957 1.00 0.73 H new ATOM 0 HB2 PHE A 64 -10.827 -2.870 -2.529 1.00 0.71 H new ATOM 0 HB3 PHE A 64 -10.184 -3.293 -4.103 1.00 0.71 H new ATOM 0 HD1 PHE A 64 -12.102 -4.683 -5.610 1.00 1.92 H new ATOM 0 HD2 PHE A 64 -12.814 -1.754 -2.539 1.00 1.68 H new ATOM 0 HE1 PHE A 64 -14.301 -4.138 -6.635 1.00 1.97 H new ATOM 0 HE2 PHE A 64 -14.921 -1.083 -3.661 1.00 1.69 H new ATOM 0 HZ PHE A 64 -15.678 -2.286 -5.704 1.00 0.81 H new ATOM 998 N GLU A 65 -12.587 -6.485 -3.380 1.00 0.74 N ATOM 999 CA GLU A 65 -13.721 -7.365 -3.057 1.00 0.82 C ATOM 1000 C GLU A 65 -13.344 -8.642 -2.276 1.00 0.94 C ATOM 1001 O GLU A 65 -14.236 -9.401 -1.892 1.00 1.39 O ATOM 1002 CB GLU A 65 -14.598 -7.650 -4.289 1.00 0.95 C ATOM 1003 CG GLU A 65 -13.979 -8.595 -5.327 1.00 1.55 C ATOM 1004 CD GLU A 65 -15.080 -9.318 -6.112 1.00 2.06 C ATOM 1005 OE1 GLU A 65 -15.540 -10.390 -5.649 1.00 3.04 O ATOM 1006 OE2 GLU A 65 -15.514 -8.814 -7.176 1.00 2.54 O ATOM 0 H GLU A 65 -12.341 -6.475 -4.370 1.00 0.74 H new ATOM 0 HA GLU A 65 -14.330 -6.798 -2.353 1.00 0.82 H new ATOM 0 HB2 GLU A 65 -15.543 -8.076 -3.952 1.00 0.95 H new ATOM 0 HB3 GLU A 65 -14.831 -6.703 -4.776 1.00 0.95 H new ATOM 0 HG2 GLU A 65 -13.346 -8.030 -6.011 1.00 1.55 H new ATOM 0 HG3 GLU A 65 -13.339 -9.324 -4.829 1.00 1.55 H new ATOM 1013 N GLN A 66 -12.052 -8.865 -2.002 1.00 0.82 N ATOM 1014 CA GLN A 66 -11.552 -9.909 -1.094 1.00 0.92 C ATOM 1015 C GLN A 66 -11.242 -9.397 0.324 1.00 0.90 C ATOM 1016 O GLN A 66 -11.099 -10.208 1.238 1.00 1.19 O ATOM 1017 CB GLN A 66 -10.304 -10.576 -1.696 1.00 1.14 C ATOM 1018 CG GLN A 66 -10.587 -11.397 -2.960 1.00 1.90 C ATOM 1019 CD GLN A 66 -9.282 -11.797 -3.637 1.00 3.16 C ATOM 1020 OE1 GLN A 66 -8.604 -12.741 -3.244 1.00 3.68 O ATOM 1021 NE2 GLN A 66 -8.875 -11.081 -4.659 1.00 4.69 N ATOM 0 H GLN A 66 -11.304 -8.309 -2.417 1.00 0.82 H new ATOM 0 HA GLN A 66 -12.357 -10.637 -0.990 1.00 0.92 H new ATOM 0 HB2 GLN A 66 -9.570 -9.805 -1.932 1.00 1.14 H new ATOM 0 HB3 GLN A 66 -9.854 -11.226 -0.946 1.00 1.14 H new ATOM 0 HG2 GLN A 66 -11.158 -12.289 -2.702 1.00 1.90 H new ATOM 0 HG3 GLN A 66 -11.199 -10.815 -3.650 1.00 1.90 H new ATOM 0 HE21 GLN A 66 -9.437 -10.296 -4.988 1.00 4.69 H new ATOM 0 HE22 GLN A 66 -7.997 -11.310 -5.125 1.00 4.69 H new ATOM 1030 N TYR A 67 -11.172 -8.080 0.539 1.00 0.80 N ATOM 1031 CA TYR A 67 -11.051 -7.458 1.863 1.00 0.92 C ATOM 1032 C TYR A 67 -12.353 -6.722 2.221 1.00 1.06 C ATOM 1033 O TYR A 67 -12.376 -5.512 2.452 1.00 1.53 O ATOM 1034 CB TYR A 67 -9.819 -6.549 1.917 1.00 0.96 C ATOM 1035 CG TYR A 67 -8.460 -7.227 1.831 1.00 1.01 C ATOM 1036 CD1 TYR A 67 -7.913 -7.868 2.962 1.00 2.10 C ATOM 1037 CD2 TYR A 67 -7.696 -7.123 0.653 1.00 2.23 C ATOM 1038 CE1 TYR A 67 -6.596 -8.374 2.922 1.00 2.22 C ATOM 1039 CE2 TYR A 67 -6.377 -7.613 0.614 1.00 2.42 C ATOM 1040 CZ TYR A 67 -5.817 -8.223 1.755 1.00 1.57 C ATOM 1041 OH TYR A 67 -4.522 -8.638 1.738 1.00 1.98 O ATOM 0 H TYR A 67 -11.198 -7.400 -0.220 1.00 0.80 H new ATOM 0 HA TYR A 67 -10.902 -8.230 2.618 1.00 0.92 H new ATOM 0 HB2 TYR A 67 -9.892 -5.830 1.101 1.00 0.96 H new ATOM 0 HB3 TYR A 67 -9.857 -5.981 2.847 1.00 0.96 H new ATOM 0 HD1 TYR A 67 -8.503 -7.972 3.861 1.00 2.10 H new ATOM 0 HD2 TYR A 67 -8.125 -6.665 -0.226 1.00 2.23 H new ATOM 0 HE1 TYR A 67 -6.184 -8.877 3.785 1.00 2.22 H new ATOM 0 HE2 TYR A 67 -5.794 -7.522 -0.290 1.00 2.42 H new ATOM 0 HH TYR A 67 -4.133 -8.460 0.856 1.00 1.98 H new ATOM 1051 N ASN A 68 -13.465 -7.461 2.223 1.00 1.03 N ATOM 1052 CA ASN A 68 -14.814 -6.981 2.542 1.00 1.21 C ATOM 1053 C ASN A 68 -15.313 -5.785 1.689 1.00 1.07 C ATOM 1054 O ASN A 68 -16.197 -5.047 2.123 1.00 1.20 O ATOM 1055 CB ASN A 68 -14.916 -6.759 4.063 1.00 1.51 C ATOM 1056 CG ASN A 68 -16.347 -6.727 4.565 1.00 2.19 C ATOM 1057 OD1 ASN A 68 -17.228 -7.422 4.071 1.00 2.77 O ATOM 1058 ND2 ASN A 68 -16.620 -5.937 5.573 1.00 2.53 N ATOM 0 H ASN A 68 -13.450 -8.454 1.992 1.00 1.03 H new ATOM 0 HA ASN A 68 -15.519 -7.760 2.250 1.00 1.21 H new ATOM 0 HB2 ASN A 68 -14.375 -7.553 4.577 1.00 1.51 H new ATOM 0 HB3 ASN A 68 -14.426 -5.820 4.321 1.00 1.51 H new ATOM 0 HD21 ASN A 68 -17.567 -5.899 5.949 1.00 2.53 H new ATOM 0 HD22 ASN A 68 -15.885 -5.360 5.982 1.00 2.53 H new ATOM 1065 N ARG A 69 -14.741 -5.560 0.494 1.00 0.94 N ATOM 1066 CA ARG A 69 -15.083 -4.463 -0.439 1.00 0.92 C ATOM 1067 C ARG A 69 -15.200 -3.069 0.206 1.00 0.98 C ATOM 1068 O ARG A 69 -16.148 -2.315 -0.050 1.00 1.65 O ATOM 1069 CB ARG A 69 -16.306 -4.907 -1.272 1.00 1.30 C ATOM 1070 CG ARG A 69 -16.323 -4.262 -2.666 1.00 2.00 C ATOM 1071 CD ARG A 69 -17.326 -4.922 -3.620 1.00 2.05 C ATOM 1072 NE ARG A 69 -18.719 -4.773 -3.172 1.00 2.26 N ATOM 1073 CZ ARG A 69 -19.796 -5.214 -3.850 1.00 3.05 C ATOM 1074 NH1 ARG A 69 -19.677 -5.830 -5.037 1.00 3.75 N ATOM 1075 NH2 ARG A 69 -21.016 -5.032 -3.329 1.00 4.00 N ATOM 0 H ARG A 69 -13.998 -6.159 0.134 1.00 0.94 H new ATOM 0 HA ARG A 69 -14.242 -4.300 -1.113 1.00 0.92 H new ATOM 0 HB2 ARG A 69 -16.298 -5.992 -1.376 1.00 1.30 H new ATOM 0 HB3 ARG A 69 -17.221 -4.644 -0.740 1.00 1.30 H new ATOM 0 HG2 ARG A 69 -16.566 -3.204 -2.568 1.00 2.00 H new ATOM 0 HG3 ARG A 69 -15.325 -4.321 -3.100 1.00 2.00 H new ATOM 0 HD2 ARG A 69 -17.219 -4.484 -4.612 1.00 2.05 H new ATOM 0 HD3 ARG A 69 -17.090 -5.982 -3.712 1.00 2.05 H new ATOM 0 HE ARG A 69 -18.881 -4.301 -2.282 1.00 2.26 H new ATOM 0 HH11 ARG A 69 -18.754 -5.974 -5.447 1.00 3.75 H new ATOM 0 HH12 ARG A 69 -20.510 -6.154 -5.529 1.00 3.75 H new ATOM 0 HH21 ARG A 69 -21.122 -4.564 -2.429 1.00 4.00 H new ATOM 0 HH22 ARG A 69 -21.840 -5.361 -3.832 1.00 4.00 H new ATOM 1089 N LEU A 70 -14.235 -2.717 1.056 1.00 0.77 N ATOM 1090 CA LEU A 70 -14.221 -1.429 1.758 1.00 0.88 C ATOM 1091 C LEU A 70 -13.680 -0.280 0.885 1.00 1.10 C ATOM 1092 O LEU A 70 -14.266 0.806 0.908 1.00 2.32 O ATOM 1093 CB LEU A 70 -13.467 -1.600 3.087 1.00 0.96 C ATOM 1094 CG LEU A 70 -13.386 -0.335 3.963 1.00 1.11 C ATOM 1095 CD1 LEU A 70 -14.739 0.332 4.216 1.00 2.55 C ATOM 1096 CD2 LEU A 70 -12.802 -0.705 5.323 1.00 1.97 C ATOM 0 H LEU A 70 -13.440 -3.316 1.279 1.00 0.77 H new ATOM 0 HA LEU A 70 -15.245 -1.129 1.980 1.00 0.88 H new ATOM 0 HB2 LEU A 70 -13.951 -2.390 3.662 1.00 0.96 H new ATOM 0 HB3 LEU A 70 -12.454 -1.938 2.870 1.00 0.96 H new ATOM 0 HG LEU A 70 -12.763 0.371 3.414 1.00 1.11 H new ATOM 0 HD11 LEU A 70 -14.599 1.215 4.840 1.00 2.55 H new ATOM 0 HD12 LEU A 70 -15.183 0.627 3.265 1.00 2.55 H new ATOM 0 HD13 LEU A 70 -15.401 -0.369 4.724 1.00 2.55 H new ATOM 0 HD21 LEU A 70 -12.742 0.186 5.948 1.00 1.97 H new ATOM 0 HD22 LEU A 70 -13.442 -1.444 5.805 1.00 1.97 H new ATOM 0 HD23 LEU A 70 -11.804 -1.122 5.189 1.00 1.97 H new ATOM 1108 N ALA A 71 -12.649 -0.534 0.070 1.00 0.76 N ATOM 1109 CA ALA A 71 -11.878 0.435 -0.727 1.00 0.71 C ATOM 1110 C ALA A 71 -10.974 1.377 0.102 1.00 0.86 C ATOM 1111 O ALA A 71 -11.173 1.585 1.305 1.00 1.72 O ATOM 1112 CB ALA A 71 -12.777 1.181 -1.731 1.00 0.82 C ATOM 0 H ALA A 71 -12.306 -1.486 -0.061 1.00 0.76 H new ATOM 0 HA ALA A 71 -11.168 -0.156 -1.305 1.00 0.71 H new ATOM 0 HB1 ALA A 71 -12.176 1.888 -2.302 1.00 0.82 H new ATOM 0 HB2 ALA A 71 -13.237 0.464 -2.411 1.00 0.82 H new ATOM 0 HB3 ALA A 71 -13.556 1.720 -1.191 1.00 0.82 H new ATOM 1118 N MET A 72 -9.995 2.000 -0.561 1.00 0.67 N ATOM 1119 CA MET A 72 -8.949 2.847 0.034 1.00 0.68 C ATOM 1120 C MET A 72 -8.792 4.177 -0.746 1.00 0.65 C ATOM 1121 O MET A 72 -9.041 4.186 -1.956 1.00 0.71 O ATOM 1122 CB MET A 72 -7.656 2.007 0.055 1.00 0.98 C ATOM 1123 CG MET A 72 -6.464 2.663 0.755 1.00 0.78 C ATOM 1124 SD MET A 72 -5.080 1.528 1.094 1.00 0.65 S ATOM 1125 CE MET A 72 -4.467 1.127 -0.564 1.00 1.33 C ATOM 0 H MET A 72 -9.903 1.926 -1.574 1.00 0.67 H new ATOM 0 HA MET A 72 -9.209 3.145 1.050 1.00 0.68 H new ATOM 0 HB2 MET A 72 -7.867 1.057 0.546 1.00 0.98 H new ATOM 0 HB3 MET A 72 -7.373 1.779 -0.973 1.00 0.98 H new ATOM 0 HG2 MET A 72 -6.102 3.485 0.138 1.00 0.78 H new ATOM 0 HG3 MET A 72 -6.803 3.096 1.696 1.00 0.78 H new ATOM 0 HE1 MET A 72 -3.829 0.245 -0.512 1.00 1.33 H new ATOM 0 HE2 MET A 72 -5.310 0.926 -1.225 1.00 1.33 H new ATOM 0 HE3 MET A 72 -3.893 1.968 -0.953 1.00 1.33 H new ATOM 1135 N PRO A 73 -8.399 5.296 -0.097 1.00 0.80 N ATOM 1136 CA PRO A 73 -8.133 6.583 -0.753 1.00 0.88 C ATOM 1137 C PRO A 73 -6.637 6.843 -1.039 1.00 0.91 C ATOM 1138 O PRO A 73 -5.756 6.065 -0.658 1.00 1.03 O ATOM 1139 CB PRO A 73 -8.707 7.617 0.219 1.00 0.99 C ATOM 1140 CG PRO A 73 -8.354 7.016 1.576 1.00 1.04 C ATOM 1141 CD PRO A 73 -8.499 5.510 1.346 1.00 0.95 C ATOM 0 HA PRO A 73 -8.588 6.619 -1.743 1.00 0.88 H new ATOM 0 HB2 PRO A 73 -8.257 8.600 0.080 1.00 0.99 H new ATOM 0 HB3 PRO A 73 -9.783 7.739 0.095 1.00 0.99 H new ATOM 0 HG2 PRO A 73 -7.341 7.280 1.881 1.00 1.04 H new ATOM 0 HG3 PRO A 73 -9.025 7.369 2.359 1.00 1.04 H new ATOM 0 HD2 PRO A 73 -7.720 4.961 1.874 1.00 0.95 H new ATOM 0 HD3 PRO A 73 -9.455 5.150 1.726 1.00 0.95 H new ATOM 1149 N ASN A 74 -6.356 7.974 -1.694 1.00 0.96 N ATOM 1150 CA ASN A 74 -5.028 8.590 -1.831 1.00 1.05 C ATOM 1151 C ASN A 74 -4.771 9.631 -0.709 1.00 1.14 C ATOM 1152 O ASN A 74 -5.673 10.380 -0.322 1.00 1.82 O ATOM 1153 CB ASN A 74 -4.937 9.177 -3.253 1.00 1.14 C ATOM 1154 CG ASN A 74 -3.781 10.143 -3.459 1.00 1.25 C ATOM 1155 OD1 ASN A 74 -3.861 11.306 -3.096 1.00 1.60 O ATOM 1156 ND2 ASN A 74 -2.684 9.704 -4.019 1.00 2.12 N ATOM 0 H ASN A 74 -7.082 8.512 -2.167 1.00 0.96 H new ATOM 0 HA ASN A 74 -4.236 7.852 -1.707 1.00 1.05 H new ATOM 0 HB2 ASN A 74 -4.842 8.358 -3.966 1.00 1.14 H new ATOM 0 HB3 ASN A 74 -5.870 9.692 -3.481 1.00 1.14 H new ATOM 0 HD21 ASN A 74 -1.893 10.334 -4.153 1.00 2.12 H new ATOM 0 HD22 ASN A 74 -2.619 8.732 -4.321 1.00 2.12 H new ATOM 1163 N MET A 75 -3.530 9.715 -0.219 1.00 1.35 N ATOM 1164 CA MET A 75 -3.085 10.581 0.889 1.00 1.50 C ATOM 1165 C MET A 75 -2.226 11.782 0.430 1.00 1.53 C ATOM 1166 O MET A 75 -1.483 12.356 1.227 1.00 2.34 O ATOM 1167 CB MET A 75 -2.379 9.732 1.972 1.00 1.69 C ATOM 1168 CG MET A 75 -3.341 8.920 2.849 1.00 1.73 C ATOM 1169 SD MET A 75 -4.031 7.405 2.127 1.00 2.49 S ATOM 1170 CE MET A 75 -5.110 6.931 3.501 1.00 2.93 C ATOM 0 H MET A 75 -2.767 9.155 -0.600 1.00 1.35 H new ATOM 0 HA MET A 75 -3.976 11.032 1.325 1.00 1.50 H new ATOM 0 HB2 MET A 75 -1.681 9.050 1.487 1.00 1.69 H new ATOM 0 HB3 MET A 75 -1.790 10.391 2.610 1.00 1.69 H new ATOM 0 HG2 MET A 75 -2.818 8.651 3.767 1.00 1.73 H new ATOM 0 HG3 MET A 75 -4.170 9.568 3.133 1.00 1.73 H new ATOM 0 HE1 MET A 75 -5.633 6.008 3.251 1.00 2.93 H new ATOM 0 HE2 MET A 75 -4.510 6.777 4.398 1.00 2.93 H new ATOM 0 HE3 MET A 75 -5.837 7.722 3.682 1.00 2.93 H new ATOM 1180 N ARG A 76 -2.319 12.184 -0.849 1.00 1.44 N ATOM 1181 CA ARG A 76 -1.623 13.344 -1.453 1.00 1.55 C ATOM 1182 C ARG A 76 -0.099 13.338 -1.243 1.00 1.37 C ATOM 1183 O ARG A 76 0.524 14.373 -1.002 1.00 1.63 O ATOM 1184 CB ARG A 76 -2.299 14.662 -1.018 1.00 2.09 C ATOM 1185 CG ARG A 76 -3.807 14.714 -1.321 1.00 2.85 C ATOM 1186 CD ARG A 76 -4.402 16.047 -0.856 1.00 3.53 C ATOM 1187 NE ARG A 76 -5.861 16.081 -1.050 1.00 4.52 N ATOM 1188 CZ ARG A 76 -6.523 16.679 -2.060 1.00 5.40 C ATOM 1189 NH1 ARG A 76 -5.883 17.337 -3.038 1.00 5.53 N ATOM 1190 NH2 ARG A 76 -7.860 16.612 -2.085 1.00 6.78 N ATOM 0 H ARG A 76 -2.905 11.691 -1.523 1.00 1.44 H new ATOM 0 HA ARG A 76 -1.732 13.257 -2.534 1.00 1.55 H new ATOM 0 HB2 ARG A 76 -2.148 14.801 0.052 1.00 2.09 H new ATOM 0 HB3 ARG A 76 -1.808 15.495 -1.521 1.00 2.09 H new ATOM 0 HG2 ARG A 76 -3.974 14.588 -2.391 1.00 2.85 H new ATOM 0 HG3 ARG A 76 -4.313 13.889 -0.820 1.00 2.85 H new ATOM 0 HD2 ARG A 76 -4.170 16.203 0.198 1.00 3.53 H new ATOM 0 HD3 ARG A 76 -3.941 16.866 -1.409 1.00 3.53 H new ATOM 0 HE ARG A 76 -6.428 15.604 -0.349 1.00 4.52 H new ATOM 0 HH11 ARG A 76 -4.865 17.396 -3.032 1.00 5.53 H new ATOM 0 HH12 ARG A 76 -6.415 17.779 -3.788 1.00 5.53 H new ATOM 0 HH21 ARG A 76 -8.360 16.115 -1.348 1.00 6.78 H new ATOM 0 HH22 ARG A 76 -8.379 17.058 -2.841 1.00 6.78 H new ATOM 1204 N LEU A 77 0.501 12.149 -1.302 1.00 1.27 N ATOM 1205 CA LEU A 77 1.926 11.931 -1.048 1.00 1.44 C ATOM 1206 C LEU A 77 2.818 12.524 -2.154 1.00 1.58 C ATOM 1207 O LEU A 77 2.396 12.692 -3.305 1.00 1.86 O ATOM 1208 CB LEU A 77 2.198 10.422 -0.872 1.00 1.64 C ATOM 1209 CG LEU A 77 1.400 9.726 0.249 1.00 1.47 C ATOM 1210 CD1 LEU A 77 1.791 8.250 0.311 1.00 1.72 C ATOM 1211 CD2 LEU A 77 1.646 10.338 1.629 1.00 2.44 C ATOM 0 H LEU A 77 -0.001 11.291 -1.533 1.00 1.27 H new ATOM 0 HA LEU A 77 2.184 12.456 -0.128 1.00 1.44 H new ATOM 0 HB2 LEU A 77 1.979 9.920 -1.814 1.00 1.64 H new ATOM 0 HB3 LEU A 77 3.261 10.283 -0.676 1.00 1.64 H new ATOM 0 HG LEU A 77 0.345 9.855 0.005 1.00 1.47 H new ATOM 0 HD11 LEU A 77 1.227 7.757 1.103 1.00 1.72 H new ATOM 0 HD12 LEU A 77 1.567 7.774 -0.644 1.00 1.72 H new ATOM 0 HD13 LEU A 77 2.858 8.165 0.518 1.00 1.72 H new ATOM 0 HD21 LEU A 77 1.056 9.804 2.374 1.00 2.44 H new ATOM 0 HD22 LEU A 77 2.704 10.259 1.879 1.00 2.44 H new ATOM 0 HD23 LEU A 77 1.353 11.388 1.619 1.00 2.44 H new ATOM 1223 N GLY A 78 4.070 12.813 -1.805 1.00 1.56 N ATOM 1224 CA GLY A 78 5.140 13.119 -2.762 1.00 1.70 C ATOM 1225 C GLY A 78 5.938 11.884 -3.187 1.00 1.35 C ATOM 1226 O GLY A 78 5.973 10.873 -2.485 1.00 1.09 O ATOM 0 H GLY A 78 4.378 12.843 -0.833 1.00 1.56 H new ATOM 0 HA2 GLY A 78 4.706 13.585 -3.646 1.00 1.70 H new ATOM 0 HA3 GLY A 78 5.819 13.847 -2.318 1.00 1.70 H new ATOM 1230 N ASP A 79 6.667 11.982 -4.297 1.00 1.43 N ATOM 1231 CA ASP A 79 7.567 10.917 -4.779 1.00 1.32 C ATOM 1232 C ASP A 79 8.789 10.719 -3.858 1.00 1.29 C ATOM 1233 O ASP A 79 9.384 9.636 -3.816 1.00 1.60 O ATOM 1234 CB ASP A 79 8.015 11.231 -6.214 1.00 1.44 C ATOM 1235 CG ASP A 79 6.828 11.459 -7.147 1.00 2.10 C ATOM 1236 OD1 ASP A 79 6.173 10.473 -7.556 1.00 2.90 O ATOM 1237 OD2 ASP A 79 6.531 12.636 -7.457 1.00 3.35 O ATOM 0 H ASP A 79 6.655 12.806 -4.897 1.00 1.43 H new ATOM 0 HA ASP A 79 7.011 9.980 -4.766 1.00 1.32 H new ATOM 0 HB2 ASP A 79 8.649 12.118 -6.210 1.00 1.44 H new ATOM 0 HB3 ASP A 79 8.621 10.408 -6.593 1.00 1.44 H new ATOM 1242 N ALA A 80 9.133 11.740 -3.068 1.00 1.25 N ATOM 1243 CA ALA A 80 10.067 11.643 -1.947 1.00 1.23 C ATOM 1244 C ALA A 80 9.485 10.881 -0.732 1.00 1.03 C ATOM 1245 O ALA A 80 10.243 10.362 0.086 1.00 1.22 O ATOM 1246 CB ALA A 80 10.478 13.070 -1.562 1.00 1.39 C ATOM 0 H ALA A 80 8.759 12.680 -3.195 1.00 1.25 H new ATOM 0 HA ALA A 80 10.933 11.059 -2.259 1.00 1.23 H new ATOM 0 HB1 ALA A 80 11.177 13.034 -0.726 1.00 1.39 H new ATOM 0 HB2 ALA A 80 10.956 13.553 -2.414 1.00 1.39 H new ATOM 0 HB3 ALA A 80 9.594 13.638 -1.272 1.00 1.39 H new ATOM 1252 N GLU A 81 8.158 10.798 -0.598 1.00 0.90 N ATOM 1253 CA GLU A 81 7.474 10.123 0.516 1.00 0.86 C ATOM 1254 C GLU A 81 7.134 8.667 0.184 1.00 0.79 C ATOM 1255 O GLU A 81 7.438 7.782 0.982 1.00 0.82 O ATOM 1256 CB GLU A 81 6.215 10.900 0.933 1.00 0.97 C ATOM 1257 CG GLU A 81 6.548 12.301 1.462 1.00 1.83 C ATOM 1258 CD GLU A 81 5.286 13.026 1.933 1.00 1.63 C ATOM 1259 OE1 GLU A 81 4.444 13.397 1.080 1.00 2.52 O ATOM 1260 OE2 GLU A 81 5.139 13.269 3.155 1.00 2.43 O ATOM 0 H GLU A 81 7.513 11.206 -1.274 1.00 0.90 H new ATOM 0 HA GLU A 81 8.165 10.107 1.359 1.00 0.86 H new ATOM 0 HB2 GLU A 81 5.544 10.986 0.079 1.00 0.97 H new ATOM 0 HB3 GLU A 81 5.682 10.340 1.702 1.00 0.97 H new ATOM 0 HG2 GLU A 81 7.256 12.223 2.287 1.00 1.83 H new ATOM 0 HG3 GLU A 81 7.035 12.883 0.679 1.00 1.83 H new ATOM 1267 N VAL A 82 6.578 8.388 -1.004 1.00 0.73 N ATOM 1268 CA VAL A 82 6.318 7.006 -1.466 1.00 0.71 C ATOM 1269 C VAL A 82 7.633 6.221 -1.543 1.00 0.72 C ATOM 1270 O VAL A 82 7.678 5.090 -1.072 1.00 0.74 O ATOM 1271 CB VAL A 82 5.579 6.984 -2.823 1.00 0.78 C ATOM 1272 CG1 VAL A 82 5.323 5.556 -3.339 1.00 0.83 C ATOM 1273 CG2 VAL A 82 4.210 7.666 -2.702 1.00 0.85 C ATOM 0 H VAL A 82 6.295 9.105 -1.672 1.00 0.73 H new ATOM 0 HA VAL A 82 5.663 6.525 -0.739 1.00 0.71 H new ATOM 0 HB VAL A 82 6.230 7.510 -3.521 1.00 0.78 H new ATOM 0 HG11 VAL A 82 4.801 5.603 -4.295 1.00 0.83 H new ATOM 0 HG12 VAL A 82 6.274 5.040 -3.470 1.00 0.83 H new ATOM 0 HG13 VAL A 82 4.712 5.013 -2.618 1.00 0.83 H new ATOM 0 HG21 VAL A 82 3.704 7.641 -3.667 1.00 0.85 H new ATOM 0 HG22 VAL A 82 3.606 7.141 -1.962 1.00 0.85 H new ATOM 0 HG23 VAL A 82 4.346 8.702 -2.390 1.00 0.85 H new ATOM 1283 N SER A 83 8.731 6.812 -2.033 1.00 0.75 N ATOM 1284 CA SER A 83 10.043 6.139 -2.071 1.00 0.78 C ATOM 1285 C SER A 83 10.599 5.808 -0.677 1.00 0.73 C ATOM 1286 O SER A 83 11.076 4.696 -0.459 1.00 0.67 O ATOM 1287 CB SER A 83 11.060 6.958 -2.871 1.00 0.93 C ATOM 1288 OG SER A 83 11.211 8.260 -2.334 1.00 2.20 O ATOM 0 H SER A 83 8.739 7.759 -2.411 1.00 0.75 H new ATOM 0 HA SER A 83 9.876 5.187 -2.575 1.00 0.78 H new ATOM 0 HB2 SER A 83 12.023 6.448 -2.869 1.00 0.93 H new ATOM 0 HB3 SER A 83 10.738 7.026 -3.910 1.00 0.93 H new ATOM 0 HG SER A 83 10.645 8.887 -2.831 1.00 2.20 H new ATOM 1294 N ALA A 84 10.472 6.712 0.304 1.00 0.81 N ATOM 1295 CA ALA A 84 10.860 6.444 1.694 1.00 0.84 C ATOM 1296 C ALA A 84 9.977 5.358 2.344 1.00 0.78 C ATOM 1297 O ALA A 84 10.470 4.455 3.022 1.00 0.75 O ATOM 1298 CB ALA A 84 10.811 7.766 2.468 1.00 0.96 C ATOM 0 H ALA A 84 10.097 7.649 0.156 1.00 0.81 H new ATOM 0 HA ALA A 84 11.874 6.045 1.718 1.00 0.84 H new ATOM 0 HB1 ALA A 84 11.096 7.591 3.505 1.00 0.96 H new ATOM 0 HB2 ALA A 84 11.502 8.478 2.017 1.00 0.96 H new ATOM 0 HB3 ALA A 84 9.800 8.171 2.433 1.00 0.96 H new ATOM 1304 N LEU A 85 8.672 5.386 2.074 1.00 0.78 N ATOM 1305 CA LEU A 85 7.704 4.380 2.513 1.00 0.78 C ATOM 1306 C LEU A 85 7.982 2.992 1.894 1.00 0.72 C ATOM 1307 O LEU A 85 7.846 1.977 2.570 1.00 0.78 O ATOM 1308 CB LEU A 85 6.322 4.954 2.148 1.00 0.94 C ATOM 1309 CG LEU A 85 5.082 4.198 2.638 1.00 1.01 C ATOM 1310 CD1 LEU A 85 5.040 4.064 4.158 1.00 1.96 C ATOM 1311 CD2 LEU A 85 3.852 4.995 2.189 1.00 2.15 C ATOM 0 H LEU A 85 8.246 6.133 1.526 1.00 0.78 H new ATOM 0 HA LEU A 85 7.768 4.195 3.585 1.00 0.78 H new ATOM 0 HB2 LEU A 85 6.269 5.971 2.536 1.00 0.94 H new ATOM 0 HB3 LEU A 85 6.264 5.023 1.062 1.00 0.94 H new ATOM 0 HG LEU A 85 5.105 3.191 2.221 1.00 1.01 H new ATOM 0 HD11 LEU A 85 4.141 3.521 4.451 1.00 1.96 H new ATOM 0 HD12 LEU A 85 5.921 3.520 4.500 1.00 1.96 H new ATOM 0 HD13 LEU A 85 5.028 5.056 4.610 1.00 1.96 H new ATOM 0 HD21 LEU A 85 2.947 4.486 2.521 1.00 2.15 H new ATOM 0 HD22 LEU A 85 3.887 5.994 2.624 1.00 2.15 H new ATOM 0 HD23 LEU A 85 3.846 5.073 1.102 1.00 2.15 H new ATOM 1323 N ILE A 86 8.455 2.946 0.646 1.00 0.67 N ATOM 1324 CA ILE A 86 8.895 1.740 -0.077 1.00 0.71 C ATOM 1325 C ILE A 86 10.226 1.235 0.490 1.00 0.78 C ATOM 1326 O ILE A 86 10.378 0.035 0.698 1.00 0.90 O ATOM 1327 CB ILE A 86 8.950 2.020 -1.603 1.00 0.73 C ATOM 1328 CG1 ILE A 86 7.670 1.531 -2.310 1.00 0.92 C ATOM 1329 CG2 ILE A 86 10.136 1.361 -2.333 1.00 1.07 C ATOM 1330 CD1 ILE A 86 6.341 2.058 -1.754 1.00 0.82 C ATOM 0 H ILE A 86 8.548 3.789 0.080 1.00 0.67 H new ATOM 0 HA ILE A 86 8.170 0.939 0.069 1.00 0.71 H new ATOM 0 HB ILE A 86 9.062 3.103 -1.662 1.00 0.73 H new ATOM 0 HG12 ILE A 86 7.734 1.808 -3.362 1.00 0.92 H new ATOM 0 HG13 ILE A 86 7.651 0.442 -2.267 1.00 0.92 H new ATOM 0 HG21 ILE A 86 10.094 1.610 -3.393 1.00 1.07 H new ATOM 0 HG22 ILE A 86 11.072 1.727 -1.911 1.00 1.07 H new ATOM 0 HG23 ILE A 86 10.082 0.279 -2.212 1.00 1.07 H new ATOM 0 HD11 ILE A 86 5.515 1.644 -2.333 1.00 0.82 H new ATOM 0 HD12 ILE A 86 6.239 1.759 -0.711 1.00 0.82 H new ATOM 0 HD13 ILE A 86 6.323 3.146 -1.823 1.00 0.82 H new ATOM 1342 N SER A 87 11.165 2.132 0.804 1.00 0.78 N ATOM 1343 CA SER A 87 12.410 1.796 1.504 1.00 0.87 C ATOM 1344 C SER A 87 12.142 1.129 2.857 1.00 0.86 C ATOM 1345 O SER A 87 12.807 0.142 3.175 1.00 0.95 O ATOM 1346 CB SER A 87 13.254 3.055 1.705 1.00 0.88 C ATOM 1347 OG SER A 87 13.889 3.437 0.495 1.00 1.61 O ATOM 0 H SER A 87 11.082 3.123 0.577 1.00 0.78 H new ATOM 0 HA SER A 87 12.954 1.084 0.884 1.00 0.87 H new ATOM 0 HB2 SER A 87 12.622 3.868 2.061 1.00 0.88 H new ATOM 0 HB3 SER A 87 14.005 2.875 2.474 1.00 0.88 H new ATOM 0 HG SER A 87 13.239 3.878 -0.091 1.00 1.61 H new ATOM 1353 N TYR A 88 11.130 1.591 3.606 1.00 0.83 N ATOM 1354 CA TYR A 88 10.721 0.910 4.843 1.00 0.87 C ATOM 1355 C TYR A 88 10.077 -0.459 4.558 1.00 0.84 C ATOM 1356 O TYR A 88 10.479 -1.468 5.138 1.00 0.95 O ATOM 1357 CB TYR A 88 9.797 1.813 5.679 1.00 0.97 C ATOM 1358 CG TYR A 88 9.103 1.101 6.830 1.00 0.89 C ATOM 1359 CD1 TYR A 88 9.861 0.333 7.735 1.00 2.03 C ATOM 1360 CD2 TYR A 88 7.698 1.146 6.957 1.00 1.77 C ATOM 1361 CE1 TYR A 88 9.217 -0.437 8.720 1.00 2.00 C ATOM 1362 CE2 TYR A 88 7.053 0.394 7.962 1.00 1.96 C ATOM 1363 CZ TYR A 88 7.811 -0.421 8.830 1.00 1.18 C ATOM 1364 OH TYR A 88 7.187 -1.218 9.743 1.00 1.50 O ATOM 0 H TYR A 88 10.585 2.423 3.381 1.00 0.83 H new ATOM 0 HA TYR A 88 11.619 0.715 5.429 1.00 0.87 H new ATOM 0 HB2 TYR A 88 10.382 2.641 6.079 1.00 0.97 H new ATOM 0 HB3 TYR A 88 9.040 2.244 5.024 1.00 0.97 H new ATOM 0 HD1 TYR A 88 10.939 0.335 7.672 1.00 2.03 H new ATOM 0 HD2 TYR A 88 7.115 1.757 6.284 1.00 1.77 H new ATOM 0 HE1 TYR A 88 9.802 -1.044 9.396 1.00 2.00 H new ATOM 0 HE2 TYR A 88 5.979 0.442 8.067 1.00 1.96 H new ATOM 0 HH TYR A 88 7.675 -2.064 9.827 1.00 1.50 H new ATOM 1374 N LEU A 89 9.115 -0.515 3.630 1.00 0.80 N ATOM 1375 CA LEU A 89 8.396 -1.747 3.277 1.00 0.86 C ATOM 1376 C LEU A 89 9.291 -2.818 2.620 1.00 0.94 C ATOM 1377 O LEU A 89 8.950 -4.000 2.650 1.00 1.30 O ATOM 1378 CB LEU A 89 7.198 -1.378 2.380 1.00 0.99 C ATOM 1379 CG LEU A 89 6.068 -0.611 3.095 1.00 1.55 C ATOM 1380 CD1 LEU A 89 5.089 -0.039 2.065 1.00 2.25 C ATOM 1381 CD2 LEU A 89 5.274 -1.522 4.028 1.00 2.01 C ATOM 0 H LEU A 89 8.810 0.300 3.098 1.00 0.80 H new ATOM 0 HA LEU A 89 8.045 -2.208 4.200 1.00 0.86 H new ATOM 0 HB2 LEU A 89 7.558 -0.774 1.547 1.00 0.99 H new ATOM 0 HB3 LEU A 89 6.785 -2.293 1.955 1.00 0.99 H new ATOM 0 HG LEU A 89 6.538 0.184 3.674 1.00 1.55 H new ATOM 0 HD11 LEU A 89 4.294 0.501 2.579 1.00 2.25 H new ATOM 0 HD12 LEU A 89 5.618 0.642 1.399 1.00 2.25 H new ATOM 0 HD13 LEU A 89 4.657 -0.853 1.483 1.00 2.25 H new ATOM 0 HD21 LEU A 89 4.486 -0.947 4.515 1.00 2.01 H new ATOM 0 HD22 LEU A 89 4.828 -2.333 3.452 1.00 2.01 H new ATOM 0 HD23 LEU A 89 5.940 -1.937 4.784 1.00 2.01 H new ATOM 1393 N GLU A 90 10.426 -2.442 2.032 1.00 0.80 N ATOM 1394 CA GLU A 90 11.493 -3.351 1.605 1.00 0.84 C ATOM 1395 C GLU A 90 12.287 -3.888 2.812 1.00 0.75 C ATOM 1396 O GLU A 90 12.285 -5.097 3.065 1.00 0.89 O ATOM 1397 CB GLU A 90 12.374 -2.630 0.562 1.00 1.00 C ATOM 1398 CG GLU A 90 13.489 -3.504 -0.032 1.00 1.32 C ATOM 1399 CD GLU A 90 14.180 -2.813 -1.219 1.00 1.93 C ATOM 1400 OE1 GLU A 90 14.968 -1.852 -1.018 1.00 3.09 O ATOM 1401 OE2 GLU A 90 13.941 -3.226 -2.384 1.00 2.51 O ATOM 0 H GLU A 90 10.637 -1.464 1.832 1.00 0.80 H new ATOM 0 HA GLU A 90 11.066 -4.233 1.129 1.00 0.84 H new ATOM 0 HB2 GLU A 90 11.739 -2.271 -0.248 1.00 1.00 H new ATOM 0 HB3 GLU A 90 12.824 -1.753 1.027 1.00 1.00 H new ATOM 0 HG2 GLU A 90 14.226 -3.727 0.739 1.00 1.32 H new ATOM 0 HG3 GLU A 90 13.071 -4.456 -0.358 1.00 1.32 H new ATOM 1408 N GLU A 91 12.929 -3.014 3.598 1.00 0.82 N ATOM 1409 CA GLU A 91 13.865 -3.440 4.653 1.00 0.96 C ATOM 1410 C GLU A 91 13.200 -4.009 5.919 1.00 0.98 C ATOM 1411 O GLU A 91 13.841 -4.772 6.637 1.00 1.07 O ATOM 1412 CB GLU A 91 14.913 -2.348 4.946 1.00 1.37 C ATOM 1413 CG GLU A 91 15.997 -2.396 3.857 1.00 2.15 C ATOM 1414 CD GLU A 91 17.061 -1.296 3.968 1.00 2.58 C ATOM 1415 OE1 GLU A 91 17.873 -1.280 4.928 1.00 3.38 O ATOM 1416 OE2 GLU A 91 17.124 -0.443 3.049 1.00 3.13 O ATOM 0 H GLU A 91 12.818 -2.003 3.524 1.00 0.82 H new ATOM 0 HA GLU A 91 14.396 -4.301 4.246 1.00 0.96 H new ATOM 0 HB2 GLU A 91 14.440 -1.366 4.964 1.00 1.37 H new ATOM 0 HB3 GLU A 91 15.358 -2.506 5.928 1.00 1.37 H new ATOM 0 HG2 GLU A 91 16.491 -3.367 3.897 1.00 2.15 H new ATOM 0 HG3 GLU A 91 15.517 -2.322 2.881 1.00 2.15 H new ATOM 1423 N GLU A 92 11.906 -3.773 6.165 1.00 0.99 N ATOM 1424 CA GLU A 92 11.147 -4.514 7.189 1.00 1.16 C ATOM 1425 C GLU A 92 11.094 -6.029 6.898 1.00 1.25 C ATOM 1426 O GLU A 92 11.100 -6.831 7.829 1.00 1.36 O ATOM 1427 CB GLU A 92 9.735 -3.910 7.305 1.00 1.32 C ATOM 1428 CG GLU A 92 8.870 -4.471 8.448 1.00 2.08 C ATOM 1429 CD GLU A 92 9.376 -4.081 9.844 1.00 2.40 C ATOM 1430 OE1 GLU A 92 10.290 -4.765 10.371 1.00 3.20 O ATOM 1431 OE2 GLU A 92 8.829 -3.123 10.433 1.00 2.77 O ATOM 0 H GLU A 92 11.357 -3.072 5.668 1.00 0.99 H new ATOM 0 HA GLU A 92 11.663 -4.412 8.144 1.00 1.16 H new ATOM 0 HB2 GLU A 92 9.829 -2.832 7.438 1.00 1.32 H new ATOM 0 HB3 GLU A 92 9.211 -4.070 6.363 1.00 1.32 H new ATOM 0 HG2 GLU A 92 7.847 -4.115 8.328 1.00 2.08 H new ATOM 0 HG3 GLU A 92 8.840 -5.558 8.371 1.00 2.08 H new ATOM 1438 N THR A 93 11.117 -6.448 5.625 1.00 1.30 N ATOM 1439 CA THR A 93 11.225 -7.878 5.252 1.00 1.46 C ATOM 1440 C THR A 93 12.638 -8.413 5.445 1.00 1.48 C ATOM 1441 O THR A 93 12.836 -9.543 5.888 1.00 1.71 O ATOM 1442 CB THR A 93 10.780 -8.158 3.806 1.00 1.53 C ATOM 1443 OG1 THR A 93 11.711 -7.704 2.845 1.00 3.34 O ATOM 1444 CG2 THR A 93 9.466 -7.471 3.476 1.00 1.87 C ATOM 0 H THR A 93 11.062 -5.816 4.826 1.00 1.30 H new ATOM 0 HA THR A 93 10.545 -8.397 5.927 1.00 1.46 H new ATOM 0 HB THR A 93 10.686 -9.243 3.758 1.00 1.53 H new ATOM 0 HG1 THR A 93 11.723 -6.724 2.838 1.00 3.34 H new ATOM 0 HG21 THR A 93 9.187 -7.694 2.446 1.00 1.87 H new ATOM 0 HG22 THR A 93 8.688 -7.832 4.149 1.00 1.87 H new ATOM 0 HG23 THR A 93 9.579 -6.393 3.596 1.00 1.87 H new ATOM 1452 N ALA A 94 13.631 -7.582 5.134 1.00 1.34 N ATOM 1453 CA ALA A 94 15.043 -7.923 5.309 1.00 1.50 C ATOM 1454 C ALA A 94 15.421 -8.082 6.797 1.00 1.63 C ATOM 1455 O ALA A 94 16.116 -9.033 7.156 1.00 1.77 O ATOM 1456 CB ALA A 94 15.905 -6.865 4.610 1.00 1.46 C ATOM 0 H ALA A 94 13.479 -6.649 4.752 1.00 1.34 H new ATOM 0 HA ALA A 94 15.230 -8.893 4.849 1.00 1.50 H new ATOM 0 HB1 ALA A 94 16.959 -7.113 4.736 1.00 1.46 H new ATOM 0 HB2 ALA A 94 15.663 -6.842 3.548 1.00 1.46 H new ATOM 0 HB3 ALA A 94 15.707 -5.887 5.048 1.00 1.46 H new