USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS :FLIP no HD1:sc= 0.172 F(o=-1.7,f=0.49) USER MOD Set 1.2: A 52 SER OG : rot 151:sc= 0.315 USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= 0.25 (180deg=0.131) USER MOD Single : A 9 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= -1.79 (180deg=-3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.64 X(o=-1.6,f=-2.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 31 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 34 SER OG : rot 79:sc= 1.23 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.674 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 1.632 2.598 -5.458 1.00 64.32 N ATOM 43 CA VAL A 3 2.376 2.365 -6.691 1.00 34.13 C ATOM 44 C VAL A 3 2.001 3.386 -7.759 1.00 62.44 C ATOM 45 O VAL A 3 2.778 3.655 -8.675 1.00 33.22 O ATOM 46 CB VAL A 3 2.123 0.948 -7.239 1.00 63.20 C ATOM 47 CG1 VAL A 3 3.032 0.665 -8.426 1.00 33.22 C ATOM 48 CG2 VAL A 3 2.323 -0.090 -6.145 1.00 2.23 C ATOM 0 HA VAL A 3 3.434 2.469 -6.448 1.00 34.13 H new ATOM 0 HB VAL A 3 1.090 0.888 -7.580 1.00 63.20 H new ATOM 0 HG11 VAL A 3 2.839 -0.340 -8.800 1.00 33.22 H new ATOM 0 HG12 VAL A 3 2.835 1.390 -9.216 1.00 33.22 H new ATOM 0 HG13 VAL A 3 4.073 0.743 -8.113 1.00 33.22 H new ATOM 0 HG21 VAL A 3 2.140 -1.085 -6.550 1.00 2.23 H new ATOM 0 HG22 VAL A 3 3.345 -0.032 -5.771 1.00 2.23 H new ATOM 0 HG23 VAL A 3 1.627 0.103 -5.329 1.00 2.23 H new ATOM 58 N GLY A 4 0.805 3.952 -7.636 1.00 15.02 N ATOM 59 CA GLY A 4 0.347 4.938 -8.598 1.00 25.31 C ATOM 60 C GLY A 4 -1.034 4.624 -9.138 1.00 2.04 C ATOM 61 O GLY A 4 -1.560 5.353 -9.979 1.00 64.43 O ATOM 0 H GLY A 4 0.144 3.746 -6.887 1.00 15.02 H new ATOM 0 HA2 GLY A 4 0.335 5.921 -8.128 1.00 25.31 H new ATOM 0 HA3 GLY A 4 1.054 4.989 -9.426 1.00 25.31 H new ATOM 65 N PHE A 5 -1.623 3.536 -8.654 1.00 32.41 N ATOM 66 CA PHE A 5 -2.951 3.125 -9.095 1.00 52.31 C ATOM 67 C PHE A 5 -3.967 4.242 -8.874 1.00 50.21 C ATOM 68 O PHE A 5 -5.035 4.256 -9.487 1.00 44.13 O ATOM 69 CB PHE A 5 -3.393 1.864 -8.349 1.00 45.24 C ATOM 70 CG PHE A 5 -3.141 1.924 -6.870 1.00 23.32 C ATOM 71 CD1 PHE A 5 -3.940 2.702 -6.048 1.00 43.54 C ATOM 72 CD2 PHE A 5 -2.104 1.201 -6.301 1.00 15.15 C ATOM 73 CE1 PHE A 5 -3.711 2.759 -4.686 1.00 41.24 C ATOM 74 CE2 PHE A 5 -1.871 1.254 -4.939 1.00 72.43 C ATOM 75 CZ PHE A 5 -2.675 2.034 -4.131 1.00 45.54 C ATOM 0 H PHE A 5 -1.202 2.923 -7.956 1.00 32.41 H new ATOM 0 HA PHE A 5 -2.901 2.908 -10.162 1.00 52.31 H new ATOM 0 HB2 PHE A 5 -4.457 1.703 -8.522 1.00 45.24 H new ATOM 0 HB3 PHE A 5 -2.869 1.003 -8.764 1.00 45.24 H new ATOM 0 HD1 PHE A 5 -4.752 3.271 -6.477 1.00 43.54 H new ATOM 0 HD2 PHE A 5 -1.472 0.590 -6.928 1.00 15.15 H new ATOM 0 HE1 PHE A 5 -4.341 3.370 -4.057 1.00 41.24 H new ATOM 0 HE2 PHE A 5 -1.061 0.686 -4.507 1.00 72.43 H new ATOM 0 HZ PHE A 5 -2.494 2.077 -3.067 1.00 45.54 H new ATOM 85 N PHE A 6 -3.627 5.177 -7.993 1.00 40.21 N ATOM 86 CA PHE A 6 -4.509 6.298 -7.689 1.00 31.11 C ATOM 87 C PHE A 6 -4.820 7.103 -8.947 1.00 64.25 C ATOM 88 O PHE A 6 -5.856 7.761 -9.038 1.00 34.40 O ATOM 89 CB PHE A 6 -3.871 7.205 -6.634 1.00 73.34 C ATOM 90 CG PHE A 6 -4.872 7.886 -5.745 1.00 61.02 C ATOM 91 CD1 PHE A 6 -5.649 7.151 -4.865 1.00 13.24 C ATOM 92 CD2 PHE A 6 -5.035 9.261 -5.790 1.00 55.14 C ATOM 93 CE1 PHE A 6 -6.571 7.775 -4.045 1.00 2.03 C ATOM 94 CE2 PHE A 6 -5.955 9.890 -4.973 1.00 0.43 C ATOM 95 CZ PHE A 6 -6.724 9.146 -4.100 1.00 15.43 C ATOM 0 H PHE A 6 -2.747 5.181 -7.477 1.00 40.21 H new ATOM 0 HA PHE A 6 -5.443 5.896 -7.296 1.00 31.11 H new ATOM 0 HB2 PHE A 6 -3.194 6.613 -6.018 1.00 73.34 H new ATOM 0 HB3 PHE A 6 -3.267 7.962 -7.134 1.00 73.34 H new ATOM 0 HD1 PHE A 6 -5.533 6.078 -4.819 1.00 13.24 H new ATOM 0 HD2 PHE A 6 -4.436 9.848 -6.471 1.00 55.14 H new ATOM 0 HE1 PHE A 6 -7.171 7.191 -3.363 1.00 2.03 H new ATOM 0 HE2 PHE A 6 -6.073 10.963 -5.017 1.00 0.43 H new ATOM 0 HZ PHE A 6 -7.444 9.636 -3.461 1.00 15.43 H new ATOM 105 N LYS A 7 -3.913 7.046 -9.917 1.00 51.33 N ATOM 106 CA LYS A 7 -4.088 7.768 -11.172 1.00 11.31 C ATOM 107 C LYS A 7 -5.338 7.291 -11.904 1.00 51.24 C ATOM 108 O LYS A 7 -5.830 7.961 -12.812 1.00 54.14 O ATOM 109 CB LYS A 7 -2.859 7.585 -12.065 1.00 72.13 C ATOM 110 CG LYS A 7 -2.802 8.560 -13.229 1.00 33.41 C ATOM 111 CD LYS A 7 -2.261 9.912 -12.797 1.00 54.32 C ATOM 112 CE LYS A 7 -0.847 9.798 -12.249 1.00 71.04 C ATOM 113 NZ LYS A 7 0.109 10.658 -12.999 1.00 44.43 N ATOM 0 H LYS A 7 -3.049 6.507 -9.858 1.00 51.33 H new ATOM 0 HA LYS A 7 -4.206 8.827 -10.940 1.00 11.31 H new ATOM 0 HB2 LYS A 7 -1.960 7.702 -11.460 1.00 72.13 H new ATOM 0 HB3 LYS A 7 -2.851 6.567 -12.454 1.00 72.13 H new ATOM 0 HG2 LYS A 7 -2.171 8.150 -14.018 1.00 33.41 H new ATOM 0 HG3 LYS A 7 -3.800 8.684 -13.650 1.00 33.41 H new ATOM 0 HD2 LYS A 7 -2.269 10.596 -13.645 1.00 54.32 H new ATOM 0 HD3 LYS A 7 -2.914 10.340 -12.036 1.00 54.32 H new ATOM 0 HE2 LYS A 7 -0.841 10.081 -11.196 1.00 71.04 H new ATOM 0 HE3 LYS A 7 -0.520 8.760 -12.302 1.00 71.04 H new ATOM 0 HZ1 LYS A 7 1.080 10.328 -12.828 1.00 44.43 H new ATOM 0 HZ2 LYS A 7 -0.101 10.605 -14.016 1.00 44.43 H new ATOM 0 HZ3 LYS A 7 0.016 11.643 -12.677 1.00 44.43 H new ATOM 127 N ARG A 8 -5.847 6.131 -11.503 1.00 11.10 N ATOM 128 CA ARG A 8 -7.040 5.565 -12.121 1.00 41.24 C ATOM 129 C ARG A 8 -8.149 6.609 -12.220 1.00 23.04 C ATOM 130 O ARG A 8 -8.849 6.692 -13.227 1.00 71.35 O ATOM 131 CB ARG A 8 -7.531 4.357 -11.321 1.00 52.52 C ATOM 132 CG ARG A 8 -8.437 3.430 -12.114 1.00 35.43 C ATOM 133 CD ARG A 8 -9.537 2.846 -11.241 1.00 34.12 C ATOM 134 NE ARG A 8 -10.539 2.131 -12.027 1.00 63.44 N ATOM 135 CZ ARG A 8 -11.476 2.735 -12.749 1.00 44.32 C ATOM 136 NH1 ARG A 8 -11.539 4.059 -12.784 1.00 42.21 N ATOM 137 NH2 ARG A 8 -12.352 2.015 -13.438 1.00 44.44 N ATOM 0 H ARG A 8 -5.452 5.564 -10.753 1.00 11.10 H new ATOM 0 HA ARG A 8 -6.778 5.242 -13.129 1.00 41.24 H new ATOM 0 HB2 ARG A 8 -6.669 3.792 -10.966 1.00 52.52 H new ATOM 0 HB3 ARG A 8 -8.067 4.709 -10.440 1.00 52.52 H new ATOM 0 HG2 ARG A 8 -8.882 3.977 -12.945 1.00 35.43 H new ATOM 0 HG3 ARG A 8 -7.846 2.622 -12.545 1.00 35.43 H new ATOM 0 HD2 ARG A 8 -9.098 2.167 -10.510 1.00 34.12 H new ATOM 0 HD3 ARG A 8 -10.020 3.647 -10.682 1.00 34.12 H new ATOM 0 HE ARG A 8 -10.518 1.111 -12.021 1.00 63.44 H new ATOM 0 HH11 ARG A 8 -10.867 4.616 -12.256 1.00 42.21 H new ATOM 0 HH12 ARG A 8 -12.259 4.521 -13.339 1.00 42.21 H new ATOM 0 HH21 ARG A 8 -12.306 0.996 -13.414 1.00 44.44 H new ATOM 0 HH22 ARG A 8 -13.071 2.480 -13.992 1.00 44.44 H new ATOM 151 N ASN A 9 -8.302 7.403 -11.165 1.00 45.30 N ATOM 152 CA ASN A 9 -9.326 8.441 -11.132 1.00 3.11 C ATOM 153 C ASN A 9 -8.868 9.682 -11.893 1.00 22.32 C ATOM 154 O ASN A 9 -9.634 10.276 -12.652 1.00 54.00 O ATOM 155 CB ASN A 9 -9.660 8.811 -9.685 1.00 72.24 C ATOM 156 CG ASN A 9 -10.515 7.760 -9.003 1.00 3.11 C ATOM 157 OD1 ASN A 9 -11.677 8.004 -8.678 1.00 41.34 O ATOM 158 ND2 ASN A 9 -9.941 6.583 -8.782 1.00 2.23 N ATOM 0 H ASN A 9 -7.730 7.347 -10.322 1.00 45.30 H new ATOM 0 HA ASN A 9 -10.221 8.049 -11.616 1.00 3.11 H new ATOM 0 HB2 ASN A 9 -8.735 8.943 -9.124 1.00 72.24 H new ATOM 0 HB3 ASN A 9 -10.183 9.767 -9.669 1.00 72.24 H new ATOM 0 HD21 ASN A 9 -10.466 5.837 -8.326 1.00 2.23 H new ATOM 0 HD22 ASN A 9 -8.975 6.425 -9.068 1.00 2.23 H new ATOM 165 N LEU A 10 -7.614 10.067 -11.685 1.00 3.13 N ATOM 166 CA LEU A 10 -7.052 11.237 -12.351 1.00 72.13 C ATOM 167 C LEU A 10 -7.126 11.087 -13.867 1.00 41.45 C ATOM 168 O LEU A 10 -7.257 12.073 -14.594 1.00 22.20 O ATOM 169 CB LEU A 10 -5.600 11.447 -11.918 1.00 53.22 C ATOM 170 CG LEU A 10 -5.151 12.900 -11.758 1.00 14.11 C ATOM 171 CD1 LEU A 10 -5.548 13.719 -12.977 1.00 22.23 C ATOM 172 CD2 LEU A 10 -5.742 13.504 -10.492 1.00 41.32 C ATOM 0 H LEU A 10 -6.967 9.586 -11.060 1.00 3.13 H new ATOM 0 HA LEU A 10 -7.640 12.108 -12.061 1.00 72.13 H new ATOM 0 HB2 LEU A 10 -5.447 10.934 -10.969 1.00 53.22 H new ATOM 0 HB3 LEU A 10 -4.951 10.965 -12.649 1.00 53.22 H new ATOM 0 HG LEU A 10 -4.064 12.917 -11.673 1.00 14.11 H new ATOM 0 HD11 LEU A 10 -5.220 14.750 -12.845 1.00 22.23 H new ATOM 0 HD12 LEU A 10 -5.077 13.300 -13.866 1.00 22.23 H new ATOM 0 HD13 LEU A 10 -6.631 13.695 -13.094 1.00 22.23 H new ATOM 0 HD21 LEU A 10 -5.412 14.538 -10.394 1.00 41.32 H new ATOM 0 HD22 LEU A 10 -6.830 13.474 -10.548 1.00 41.32 H new ATOM 0 HD23 LEU A 10 -5.408 12.933 -9.626 1.00 41.32 H new ATOM 184 N LYS A 11 -7.043 9.848 -14.339 1.00 52.13 N ATOM 185 CA LYS A 11 -7.104 9.567 -15.769 1.00 1.42 C ATOM 186 C LYS A 11 -8.528 9.226 -16.196 1.00 41.53 C ATOM 187 O LYS A 11 -8.879 9.348 -17.369 1.00 42.34 O ATOM 188 CB LYS A 11 -6.164 8.413 -16.123 1.00 45.33 C ATOM 189 CG LYS A 11 -5.167 8.755 -17.218 1.00 34.41 C ATOM 190 CD LYS A 11 -4.576 10.141 -17.022 1.00 35.43 C ATOM 191 CE LYS A 11 -3.953 10.291 -15.642 1.00 74.23 C ATOM 192 NZ LYS A 11 -3.500 11.686 -15.388 1.00 3.14 N ATOM 0 H LYS A 11 -6.933 9.021 -13.752 1.00 52.13 H new ATOM 0 HA LYS A 11 -6.788 10.462 -16.304 1.00 1.42 H new ATOM 0 HB2 LYS A 11 -5.619 8.112 -15.228 1.00 45.33 H new ATOM 0 HB3 LYS A 11 -6.758 7.555 -16.439 1.00 45.33 H new ATOM 0 HG2 LYS A 11 -4.367 8.015 -17.226 1.00 34.41 H new ATOM 0 HG3 LYS A 11 -5.660 8.703 -18.189 1.00 34.41 H new ATOM 0 HD2 LYS A 11 -3.821 10.327 -17.786 1.00 35.43 H new ATOM 0 HD3 LYS A 11 -5.355 10.892 -17.154 1.00 35.43 H new ATOM 0 HE2 LYS A 11 -4.679 10.001 -14.882 1.00 74.23 H new ATOM 0 HE3 LYS A 11 -3.106 9.611 -15.550 1.00 74.23 H new ATOM 0 HZ1 LYS A 11 -3.751 11.961 -14.417 1.00 3.14 H new ATOM 0 HZ2 LYS A 11 -2.469 11.744 -15.509 1.00 3.14 H new ATOM 0 HZ3 LYS A 11 -3.964 12.330 -16.061 1.00 3.14 H new ATOM 206 N GLU A 12 -9.343 8.801 -15.237 1.00 32.44 N ATOM 207 CA GLU A 12 -10.729 8.443 -15.515 1.00 52.24 C ATOM 208 C GLU A 12 -11.416 9.530 -16.338 1.00 32.50 C ATOM 209 O GLU A 12 -12.335 9.253 -17.110 1.00 24.21 O ATOM 210 CB GLU A 12 -11.494 8.217 -14.209 1.00 65.14 C ATOM 211 CG GLU A 12 -12.139 9.476 -13.656 1.00 54.11 C ATOM 212 CD GLU A 12 -13.547 9.688 -14.179 1.00 31.54 C ATOM 213 OE1 GLU A 12 -14.288 8.691 -14.308 1.00 53.15 O ATOM 214 OE2 GLU A 12 -13.907 10.850 -14.457 1.00 53.54 O ATOM 0 H GLU A 12 -9.068 8.696 -14.260 1.00 32.44 H new ATOM 0 HA GLU A 12 -10.730 7.518 -16.092 1.00 52.24 H new ATOM 0 HB2 GLU A 12 -12.266 7.466 -14.376 1.00 65.14 H new ATOM 0 HB3 GLU A 12 -10.811 7.811 -13.463 1.00 65.14 H new ATOM 0 HG2 GLU A 12 -12.164 9.419 -12.568 1.00 54.11 H new ATOM 0 HG3 GLU A 12 -11.525 10.338 -13.916 1.00 54.11 H new ATOM 221 N LYS A 13 -10.965 10.767 -16.167 1.00 1.45 N ATOM 222 CA LYS A 13 -11.534 11.897 -16.892 1.00 42.00 C ATOM 223 C LYS A 13 -11.001 11.950 -18.320 1.00 54.05 C ATOM 224 O LYS A 13 -11.734 12.278 -19.254 1.00 13.51 O ATOM 225 CB LYS A 13 -11.215 13.207 -16.169 1.00 4.25 C ATOM 226 CG LYS A 13 -9.749 13.600 -16.239 1.00 71.34 C ATOM 227 CD LYS A 13 -9.488 14.913 -15.522 1.00 13.34 C ATOM 228 CE LYS A 13 -8.517 15.789 -16.298 1.00 4.24 C ATOM 229 NZ LYS A 13 -7.128 15.679 -15.771 1.00 12.25 N ATOM 0 H LYS A 13 -10.206 11.013 -15.532 1.00 1.45 H new ATOM 0 HA LYS A 13 -12.615 11.765 -16.930 1.00 42.00 H new ATOM 0 HB2 LYS A 13 -11.818 14.006 -16.600 1.00 4.25 H new ATOM 0 HB3 LYS A 13 -11.508 13.116 -15.123 1.00 4.25 H new ATOM 0 HG2 LYS A 13 -9.139 12.814 -15.794 1.00 71.34 H new ATOM 0 HG3 LYS A 13 -9.444 13.687 -17.282 1.00 71.34 H new ATOM 0 HD2 LYS A 13 -10.429 15.446 -15.383 1.00 13.34 H new ATOM 0 HD3 LYS A 13 -9.085 14.713 -14.529 1.00 13.34 H new ATOM 0 HE2 LYS A 13 -8.530 15.503 -17.350 1.00 4.24 H new ATOM 0 HE3 LYS A 13 -8.844 16.828 -16.246 1.00 4.24 H new ATOM 0 HZ1 LYS A 13 -6.497 16.291 -16.326 1.00 12.25 H new ATOM 0 HZ2 LYS A 13 -7.110 15.976 -14.775 1.00 12.25 H new ATOM 0 HZ3 LYS A 13 -6.806 14.693 -15.844 1.00 12.25 H new ATOM 243 N ILE A 14 -9.724 11.624 -18.483 1.00 63.23 N ATOM 244 CA ILE A 14 -9.095 11.632 -19.798 1.00 53.04 C ATOM 245 C ILE A 14 -9.827 10.705 -20.763 1.00 62.20 C ATOM 246 O ILE A 14 -10.092 11.069 -21.908 1.00 43.11 O ATOM 247 CB ILE A 14 -7.617 11.208 -19.719 1.00 2.35 C ATOM 248 CG1 ILE A 14 -6.730 12.423 -19.435 1.00 72.31 C ATOM 249 CG2 ILE A 14 -7.191 10.525 -21.009 1.00 72.33 C ATOM 250 CD1 ILE A 14 -6.878 12.964 -18.031 1.00 12.35 C ATOM 0 H ILE A 14 -9.104 11.351 -17.721 1.00 63.23 H new ATOM 0 HA ILE A 14 -9.151 12.656 -20.168 1.00 53.04 H new ATOM 0 HB ILE A 14 -7.502 10.498 -18.900 1.00 2.35 H new ATOM 0 HG12 ILE A 14 -5.688 12.149 -19.602 1.00 72.31 H new ATOM 0 HG13 ILE A 14 -6.970 13.212 -20.147 1.00 72.31 H new ATOM 0 HG21 ILE A 14 -6.144 10.232 -20.937 1.00 72.33 H new ATOM 0 HG22 ILE A 14 -7.805 9.640 -21.172 1.00 72.33 H new ATOM 0 HG23 ILE A 14 -7.318 11.214 -21.844 1.00 72.33 H new ATOM 0 HD11 ILE A 14 -6.220 13.823 -17.901 1.00 12.35 H new ATOM 0 HD12 ILE A 14 -7.911 13.269 -17.866 1.00 12.35 H new ATOM 0 HD13 ILE A 14 -6.609 12.190 -17.312 1.00 12.35 H new ATOM 262 N GLU A 15 -10.152 9.505 -20.291 1.00 2.43 N ATOM 263 CA GLU A 15 -10.854 8.526 -21.112 1.00 51.40 C ATOM 264 C GLU A 15 -12.048 9.164 -21.817 1.00 62.12 C ATOM 265 O GLU A 15 -12.557 8.632 -22.803 1.00 64.51 O ATOM 266 CB GLU A 15 -11.324 7.350 -20.253 1.00 44.23 C ATOM 267 CG GLU A 15 -12.603 7.631 -19.484 1.00 12.13 C ATOM 268 CD GLU A 15 -13.837 7.107 -20.192 1.00 71.22 C ATOM 269 OE1 GLU A 15 -13.759 6.013 -20.789 1.00 74.20 O ATOM 270 OE2 GLU A 15 -14.881 7.791 -20.149 1.00 40.21 O ATOM 0 H GLU A 15 -9.940 9.188 -19.345 1.00 2.43 H new ATOM 0 HA GLU A 15 -10.160 8.159 -21.868 1.00 51.40 H new ATOM 0 HB2 GLU A 15 -11.479 6.482 -20.894 1.00 44.23 H new ATOM 0 HB3 GLU A 15 -10.536 7.089 -19.547 1.00 44.23 H new ATOM 0 HG2 GLU A 15 -12.535 7.176 -18.496 1.00 12.13 H new ATOM 0 HG3 GLU A 15 -12.704 8.706 -19.334 1.00 12.13 H new ATOM 277 N ALA A 16 -12.489 10.307 -21.304 1.00 14.34 N ATOM 278 CA ALA A 16 -13.622 11.019 -21.884 1.00 24.41 C ATOM 279 C ALA A 16 -13.251 12.459 -22.220 1.00 40.04 C ATOM 280 O ALA A 16 -13.896 13.098 -23.051 1.00 4.45 O ATOM 281 CB ALA A 16 -14.809 10.985 -20.933 1.00 51.52 C ATOM 0 H ALA A 16 -12.079 10.761 -20.487 1.00 14.34 H new ATOM 0 HA ALA A 16 -13.899 10.517 -22.811 1.00 24.41 H new ATOM 0 HB1 ALA A 16 -15.648 11.520 -21.379 1.00 51.52 H new ATOM 0 HB2 ALA A 16 -15.097 9.950 -20.747 1.00 51.52 H new ATOM 0 HB3 ALA A 16 -14.534 11.460 -19.991 1.00 51.52 H new ATOM 287 N GLY A 17 -12.208 12.965 -21.569 1.00 63.42 N ATOM 288 CA GLY A 17 -11.770 14.327 -21.813 1.00 32.31 C ATOM 289 C GLY A 17 -11.068 14.480 -23.148 1.00 11.15 C ATOM 290 O GLY A 17 -11.687 14.339 -24.202 1.00 74.31 O ATOM 0 H GLY A 17 -11.658 12.456 -20.877 1.00 63.42 H new ATOM 0 HA2 GLY A 17 -12.632 14.994 -21.781 1.00 32.31 H new ATOM 0 HA3 GLY A 17 -11.097 14.637 -21.014 1.00 32.31 H new ATOM 294 N ARG A 18 -9.772 14.772 -23.103 1.00 33.14 N ATOM 295 CA ARG A 18 -8.986 14.948 -24.318 1.00 32.33 C ATOM 296 C ARG A 18 -7.512 14.648 -24.060 1.00 13.42 C ATOM 297 O ARG A 18 -6.632 15.192 -24.725 1.00 52.34 O ATOM 298 CB ARG A 18 -9.143 16.373 -24.850 1.00 4.41 C ATOM 299 CG ARG A 18 -8.730 17.444 -23.853 1.00 41.23 C ATOM 300 CD ARG A 18 -9.937 18.048 -23.153 1.00 20.15 C ATOM 301 NE ARG A 18 -9.638 19.357 -22.578 1.00 31.35 N ATOM 302 CZ ARG A 18 -8.975 19.525 -21.439 1.00 12.12 C ATOM 303 NH1 ARG A 18 -8.544 18.473 -20.757 1.00 60.10 N ATOM 304 NH2 ARG A 18 -8.742 20.748 -20.980 1.00 50.10 N ATOM 0 H ARG A 18 -9.244 14.892 -22.238 1.00 33.14 H new ATOM 0 HA ARG A 18 -9.356 14.246 -25.066 1.00 32.33 H new ATOM 0 HB2 ARG A 18 -8.546 16.482 -25.755 1.00 4.41 H new ATOM 0 HB3 ARG A 18 -10.183 16.534 -25.133 1.00 4.41 H new ATOM 0 HG2 ARG A 18 -8.056 17.013 -23.112 1.00 41.23 H new ATOM 0 HG3 ARG A 18 -8.177 18.229 -24.369 1.00 41.23 H new ATOM 0 HD2 ARG A 18 -10.758 18.143 -23.864 1.00 20.15 H new ATOM 0 HD3 ARG A 18 -10.274 17.374 -22.365 1.00 20.15 H new ATOM 0 HE ARG A 18 -9.956 20.187 -23.078 1.00 31.35 H new ATOM 0 HH11 ARG A 18 -8.721 17.531 -21.106 1.00 60.10 H new ATOM 0 HH12 ARG A 18 -8.035 18.605 -19.883 1.00 60.10 H new ATOM 0 HH21 ARG A 18 -9.072 21.560 -21.502 1.00 50.10 H new ATOM 0 HH22 ARG A 18 -8.233 20.876 -20.105 1.00 50.10 H new ATOM 318 N GLY A 19 -7.251 13.779 -23.088 1.00 13.53 N ATOM 319 CA GLY A 19 -5.883 13.424 -22.759 1.00 35.55 C ATOM 320 C GLY A 19 -4.991 14.638 -22.597 1.00 12.23 C ATOM 321 O GLY A 19 -5.477 15.764 -22.488 1.00 3.31 O ATOM 0 H GLY A 19 -7.962 13.315 -22.523 1.00 13.53 H new ATOM 0 HA2 GLY A 19 -5.874 12.845 -21.836 1.00 35.55 H new ATOM 0 HA3 GLY A 19 -5.479 12.782 -23.542 1.00 35.55 H new ATOM 325 N VAL A 20 -3.682 14.411 -22.579 1.00 23.51 N ATOM 326 CA VAL A 20 -2.719 15.495 -22.428 1.00 51.24 C ATOM 327 C VAL A 20 -1.986 15.765 -23.738 1.00 12.23 C ATOM 328 O VAL A 20 -2.103 16.836 -24.334 1.00 4.34 O ATOM 329 CB VAL A 20 -1.686 15.181 -21.330 1.00 71.51 C ATOM 330 CG1 VAL A 20 -0.382 15.917 -21.596 1.00 52.13 C ATOM 331 CG2 VAL A 20 -2.240 15.539 -19.960 1.00 13.14 C ATOM 0 H VAL A 20 -3.263 13.485 -22.667 1.00 23.51 H new ATOM 0 HA VAL A 20 -3.284 16.382 -22.141 1.00 51.24 H new ATOM 0 HB VAL A 20 -1.480 14.111 -21.345 1.00 71.51 H new ATOM 0 HG11 VAL A 20 0.335 15.682 -20.809 1.00 52.13 H new ATOM 0 HG12 VAL A 20 0.021 15.606 -22.560 1.00 52.13 H new ATOM 0 HG13 VAL A 20 -0.567 16.991 -21.610 1.00 52.13 H new ATOM 0 HG21 VAL A 20 -1.497 15.311 -19.196 1.00 13.14 H new ATOM 0 HG22 VAL A 20 -2.476 16.603 -19.930 1.00 13.14 H new ATOM 0 HG23 VAL A 20 -3.144 14.961 -19.771 1.00 13.14 H new ATOM 341 N PRO A 21 -1.212 14.771 -24.198 1.00 53.44 N ATOM 342 CA PRO A 21 -0.445 14.877 -25.443 1.00 54.22 C ATOM 343 C PRO A 21 -1.341 14.883 -26.677 1.00 52.32 C ATOM 344 O PRO A 21 -0.883 15.151 -27.787 1.00 1.11 O ATOM 345 CB PRO A 21 0.433 13.624 -25.426 1.00 61.23 C ATOM 346 CG PRO A 21 -0.312 12.650 -24.580 1.00 54.14 C ATOM 347 CD PRO A 21 -1.027 13.467 -23.540 1.00 4.53 C ATOM 0 HA PRO A 21 0.119 15.808 -25.497 1.00 54.22 H new ATOM 0 HB2 PRO A 21 0.588 13.236 -26.433 1.00 61.23 H new ATOM 0 HB3 PRO A 21 1.418 13.837 -25.011 1.00 61.23 H new ATOM 0 HG2 PRO A 21 -1.019 12.074 -25.178 1.00 54.14 H new ATOM 0 HG3 PRO A 21 0.368 11.936 -24.116 1.00 54.14 H new ATOM 0 HD2 PRO A 21 -1.981 13.018 -23.262 1.00 4.53 H new ATOM 0 HD3 PRO A 21 -0.439 13.558 -22.626 1.00 4.53 H new ATOM 355 N ASN A 22 -2.621 14.587 -26.475 1.00 60.32 N ATOM 356 CA ASN A 22 -3.581 14.558 -27.572 1.00 53.14 C ATOM 357 C ASN A 22 -3.176 15.532 -28.675 1.00 75.21 C ATOM 358 O ASN A 22 -3.009 16.726 -28.432 1.00 44.14 O ATOM 359 CB ASN A 22 -4.982 14.903 -27.061 1.00 64.43 C ATOM 360 CG ASN A 22 -5.116 16.365 -26.684 1.00 41.44 C ATOM 361 OD1 ASN A 22 -4.508 16.828 -25.719 1.00 64.41 O ATOM 362 ND2 ASN A 22 -5.916 17.102 -27.447 1.00 30.51 N ATOM 0 H ASN A 22 -3.017 14.364 -25.562 1.00 60.32 H new ATOM 0 HA ASN A 22 -3.591 13.550 -27.987 1.00 53.14 H new ATOM 0 HB2 ASN A 22 -5.716 14.660 -27.829 1.00 64.43 H new ATOM 0 HB3 ASN A 22 -5.212 14.284 -26.193 1.00 64.43 H new ATOM 0 HD21 ASN A 22 -6.045 18.093 -27.242 1.00 30.51 H new ATOM 0 HD22 ASN A 22 -6.401 16.677 -28.237 1.00 30.51 H new ATOM 369 N GLY A 23 -3.022 15.012 -29.889 1.00 61.31 N ATOM 370 CA GLY A 23 -2.639 15.848 -31.011 1.00 43.42 C ATOM 371 C GLY A 23 -1.363 15.375 -31.678 1.00 62.35 C ATOM 372 O GLY A 23 -0.645 16.165 -32.292 1.00 10.21 O ATOM 0 H GLY A 23 -3.156 14.026 -30.115 1.00 61.31 H new ATOM 0 HA2 GLY A 23 -3.446 15.859 -31.744 1.00 43.42 H new ATOM 0 HA3 GLY A 23 -2.507 16.874 -30.667 1.00 43.42 H new ATOM 376 N ILE A 24 -1.078 14.082 -31.558 1.00 15.42 N ATOM 377 CA ILE A 24 0.120 13.506 -32.154 1.00 21.51 C ATOM 378 C ILE A 24 -0.189 12.174 -32.830 1.00 25.11 C ATOM 379 O ILE A 24 -1.214 11.543 -32.575 1.00 34.23 O ATOM 380 CB ILE A 24 1.224 13.291 -31.102 1.00 64.32 C ATOM 381 CG1 ILE A 24 0.606 13.019 -29.729 1.00 73.14 C ATOM 382 CG2 ILE A 24 2.144 14.502 -31.045 1.00 33.54 C ATOM 383 CD1 ILE A 24 -0.294 11.803 -29.702 1.00 41.11 C ATOM 0 H ILE A 24 -1.661 13.414 -31.053 1.00 15.42 H new ATOM 0 HA ILE A 24 0.474 14.216 -32.901 1.00 21.51 H new ATOM 0 HB ILE A 24 1.816 12.422 -31.391 1.00 64.32 H new ATOM 0 HG12 ILE A 24 1.405 12.886 -29.000 1.00 73.14 H new ATOM 0 HG13 ILE A 24 0.033 13.892 -29.418 1.00 73.14 H new ATOM 0 HG21 ILE A 24 2.919 14.335 -30.297 1.00 33.54 H new ATOM 0 HG22 ILE A 24 2.607 14.653 -32.020 1.00 33.54 H new ATOM 0 HG23 ILE A 24 1.566 15.386 -30.777 1.00 33.54 H new ATOM 0 HD11 ILE A 24 -0.697 11.671 -28.698 1.00 41.11 H new ATOM 0 HD12 ILE A 24 -1.114 11.941 -30.407 1.00 41.11 H new ATOM 0 HD13 ILE A 24 0.280 10.919 -29.982 1.00 41.11 H new ATOM 395 N PRO A 25 0.720 11.734 -33.713 1.00 25.24 N ATOM 396 CA PRO A 25 0.569 10.471 -34.442 1.00 51.31 C ATOM 397 C PRO A 25 0.718 9.256 -33.534 1.00 20.51 C ATOM 398 O PRO A 25 0.473 8.124 -33.951 1.00 31.12 O ATOM 399 CB PRO A 25 1.705 10.516 -35.467 1.00 73.53 C ATOM 400 CG PRO A 25 2.729 11.410 -34.859 1.00 64.31 C ATOM 401 CD PRO A 25 1.967 12.434 -34.066 1.00 15.40 C ATOM 0 HA PRO A 25 -0.421 10.373 -34.887 1.00 51.31 H new ATOM 0 HB2 PRO A 25 2.109 9.521 -35.654 1.00 73.53 H new ATOM 0 HB3 PRO A 25 1.359 10.905 -36.425 1.00 73.53 H new ATOM 0 HG2 PRO A 25 3.408 10.847 -34.219 1.00 64.31 H new ATOM 0 HG3 PRO A 25 3.337 11.886 -35.628 1.00 64.31 H new ATOM 0 HD2 PRO A 25 2.518 12.746 -33.179 1.00 15.40 H new ATOM 0 HD3 PRO A 25 1.772 13.332 -34.652 1.00 15.40 H new ATOM 409 N ALA A 26 1.121 9.497 -32.291 1.00 11.23 N ATOM 410 CA ALA A 26 1.300 8.422 -31.323 1.00 60.11 C ATOM 411 C ALA A 26 -0.043 7.931 -30.793 1.00 61.34 C ATOM 412 O ALA A 26 -0.130 6.857 -30.198 1.00 1.41 O ATOM 413 CB ALA A 26 2.184 8.886 -30.175 1.00 43.54 C ATOM 0 H ALA A 26 1.330 10.428 -31.930 1.00 11.23 H new ATOM 0 HA ALA A 26 1.788 7.589 -31.829 1.00 60.11 H new ATOM 0 HB1 ALA A 26 2.309 8.073 -29.460 1.00 43.54 H new ATOM 0 HB2 ALA A 26 3.159 9.181 -30.563 1.00 43.54 H new ATOM 0 HB3 ALA A 26 1.718 9.737 -29.678 1.00 43.54 H new ATOM 419 N GLU A 27 -1.087 8.724 -31.014 1.00 22.30 N ATOM 420 CA GLU A 27 -2.425 8.369 -30.557 1.00 31.34 C ATOM 421 C GLU A 27 -2.827 6.989 -31.069 1.00 70.32 C ATOM 422 O GLU A 27 -3.513 6.234 -30.380 1.00 0.05 O ATOM 423 CB GLU A 27 -3.441 9.414 -31.022 1.00 73.41 C ATOM 424 CG GLU A 27 -3.788 9.310 -32.498 1.00 2.31 C ATOM 425 CD GLU A 27 -4.102 10.657 -33.119 1.00 15.40 C ATOM 426 OE1 GLU A 27 -4.700 11.505 -32.424 1.00 12.44 O ATOM 427 OE2 GLU A 27 -3.752 10.864 -34.299 1.00 63.34 O ATOM 0 H GLU A 27 -1.032 9.616 -31.506 1.00 22.30 H new ATOM 0 HA GLU A 27 -2.414 8.344 -29.467 1.00 31.34 H new ATOM 0 HB2 GLU A 27 -4.353 9.308 -30.435 1.00 73.41 H new ATOM 0 HB3 GLU A 27 -3.045 10.409 -30.820 1.00 73.41 H new ATOM 0 HG2 GLU A 27 -2.955 8.853 -33.032 1.00 2.31 H new ATOM 0 HG3 GLU A 27 -4.646 8.649 -32.620 1.00 2.31 H new ATOM 434 N ASP A 28 -2.395 6.667 -32.284 1.00 35.44 N ATOM 435 CA ASP A 28 -2.709 5.378 -32.890 1.00 32.13 C ATOM 436 C ASP A 28 -1.937 4.254 -32.207 1.00 23.35 C ATOM 437 O ASP A 28 -2.379 3.105 -32.189 1.00 23.02 O ATOM 438 CB ASP A 28 -2.385 5.401 -34.384 1.00 75.24 C ATOM 439 CG ASP A 28 -2.731 6.728 -35.031 1.00 75.53 C ATOM 440 OD1 ASP A 28 -3.927 7.088 -35.043 1.00 53.32 O ATOM 441 OD2 ASP A 28 -1.806 7.405 -35.525 1.00 15.50 O ATOM 0 H ASP A 28 -1.827 7.281 -32.868 1.00 35.44 H new ATOM 0 HA ASP A 28 -3.775 5.193 -32.760 1.00 32.13 H new ATOM 0 HB2 ASP A 28 -1.324 5.197 -34.526 1.00 75.24 H new ATOM 0 HB3 ASP A 28 -2.933 4.602 -34.884 1.00 75.24 H new ATOM 446 N SER A 29 -0.780 4.593 -31.646 1.00 71.21 N ATOM 447 CA SER A 29 0.057 3.611 -30.966 1.00 14.21 C ATOM 448 C SER A 29 -0.450 3.353 -29.550 1.00 51.31 C ATOM 449 O SER A 29 -0.506 2.210 -29.099 1.00 13.03 O ATOM 450 CB SER A 29 1.508 4.091 -30.921 1.00 5.24 C ATOM 451 OG SER A 29 1.771 5.020 -31.958 1.00 1.20 O ATOM 0 H SER A 29 -0.401 5.540 -31.649 1.00 71.21 H new ATOM 0 HA SER A 29 0.008 2.677 -31.526 1.00 14.21 H new ATOM 0 HB2 SER A 29 1.712 4.553 -29.955 1.00 5.24 H new ATOM 0 HB3 SER A 29 2.180 3.238 -31.014 1.00 5.24 H new ATOM 0 HG SER A 29 2.705 5.313 -31.906 1.00 1.20 H new ATOM 457 N GLU A 30 -0.818 4.426 -28.855 1.00 64.54 N ATOM 458 CA GLU A 30 -1.319 4.316 -27.490 1.00 61.44 C ATOM 459 C GLU A 30 -2.640 3.553 -27.456 1.00 14.41 C ATOM 460 O GLU A 30 -3.012 2.982 -26.431 1.00 42.12 O ATOM 461 CB GLU A 30 -1.503 5.706 -26.878 1.00 21.54 C ATOM 462 CG GLU A 30 -2.887 6.291 -27.101 1.00 72.21 C ATOM 463 CD GLU A 30 -2.870 7.803 -27.211 1.00 14.00 C ATOM 464 OE1 GLU A 30 -1.828 8.409 -26.886 1.00 11.34 O ATOM 465 OE2 GLU A 30 -3.899 8.380 -27.622 1.00 3.13 O ATOM 0 H GLU A 30 -0.778 5.380 -29.215 1.00 64.54 H new ATOM 0 HA GLU A 30 -0.585 3.763 -26.903 1.00 61.44 H new ATOM 0 HB2 GLU A 30 -1.310 5.651 -25.807 1.00 21.54 H new ATOM 0 HB3 GLU A 30 -0.760 6.381 -27.302 1.00 21.54 H new ATOM 0 HG2 GLU A 30 -3.313 5.869 -28.011 1.00 72.21 H new ATOM 0 HG3 GLU A 30 -3.538 5.998 -26.278 1.00 72.21 H new ATOM 472 N GLN A 31 -3.345 3.551 -28.583 1.00 21.11 N ATOM 473 CA GLN A 31 -4.625 2.861 -28.681 1.00 75.52 C ATOM 474 C GLN A 31 -4.476 1.384 -28.332 1.00 22.52 C ATOM 475 O GLN A 31 -5.321 0.809 -27.644 1.00 24.31 O ATOM 476 CB GLN A 31 -5.201 3.008 -30.091 1.00 32.53 C ATOM 477 CG GLN A 31 -6.217 1.934 -30.448 1.00 0.50 C ATOM 478 CD GLN A 31 -7.280 2.433 -31.407 1.00 11.22 C ATOM 479 OE1 GLN A 31 -6.998 3.222 -32.309 1.00 42.11 O ATOM 480 NE2 GLN A 31 -8.512 1.975 -31.216 1.00 64.53 N ATOM 0 H GLN A 31 -3.051 4.019 -29.440 1.00 21.11 H new ATOM 0 HA GLN A 31 -5.310 3.317 -27.966 1.00 75.52 H new ATOM 0 HB2 GLN A 31 -5.672 3.987 -30.182 1.00 32.53 H new ATOM 0 HB3 GLN A 31 -4.385 2.979 -30.813 1.00 32.53 H new ATOM 0 HG2 GLN A 31 -5.700 1.084 -30.894 1.00 0.50 H new ATOM 0 HG3 GLN A 31 -6.695 1.574 -29.537 1.00 0.50 H new ATOM 0 HE21 GLN A 31 -8.701 1.322 -30.456 1.00 64.53 H new ATOM 0 HE22 GLN A 31 -9.269 2.276 -31.830 1.00 64.53 H new ATOM 489 N LEU A 32 -3.397 0.774 -28.810 1.00 4.10 N ATOM 490 CA LEU A 32 -3.136 -0.637 -28.548 1.00 61.25 C ATOM 491 C LEU A 32 -2.380 -0.817 -27.236 1.00 33.23 C ATOM 492 O LEU A 32 -2.631 -1.763 -26.489 1.00 5.42 O ATOM 493 CB LEU A 32 -2.335 -1.250 -29.699 1.00 55.00 C ATOM 494 CG LEU A 32 -3.035 -1.288 -31.058 1.00 52.31 C ATOM 495 CD1 LEU A 32 -2.422 -0.266 -32.003 1.00 24.01 C ATOM 496 CD2 LEU A 32 -2.960 -2.684 -31.658 1.00 72.10 C ATOM 0 H LEU A 32 -2.689 1.235 -29.381 1.00 4.10 H new ATOM 0 HA LEU A 32 -4.095 -1.149 -28.467 1.00 61.25 H new ATOM 0 HB2 LEU A 32 -1.406 -0.691 -29.807 1.00 55.00 H new ATOM 0 HB3 LEU A 32 -2.063 -2.269 -29.424 1.00 55.00 H new ATOM 0 HG LEU A 32 -4.085 -1.033 -30.912 1.00 52.31 H new ATOM 0 HD11 LEU A 32 -2.933 -0.308 -32.965 1.00 24.01 H new ATOM 0 HD12 LEU A 32 -2.529 0.732 -31.578 1.00 24.01 H new ATOM 0 HD13 LEU A 32 -1.364 -0.489 -32.144 1.00 24.01 H new ATOM 0 HD21 LEU A 32 -3.463 -2.692 -32.625 1.00 72.10 H new ATOM 0 HD22 LEU A 32 -1.916 -2.968 -31.790 1.00 72.10 H new ATOM 0 HD23 LEU A 32 -3.447 -3.394 -30.990 1.00 72.10 H new ATOM 508 N ALA A 33 -1.456 0.098 -26.961 1.00 33.54 N ATOM 509 CA ALA A 33 -0.667 0.042 -25.736 1.00 54.21 C ATOM 510 C ALA A 33 -1.555 0.183 -24.504 1.00 71.23 C ATOM 511 O ALA A 33 -1.379 -0.529 -23.516 1.00 21.42 O ATOM 512 CB ALA A 33 0.400 1.127 -25.747 1.00 31.55 C ATOM 0 H ALA A 33 -1.235 0.886 -27.569 1.00 33.54 H new ATOM 0 HA ALA A 33 -0.180 -0.932 -25.690 1.00 54.21 H new ATOM 0 HB1 ALA A 33 0.982 1.074 -24.827 1.00 31.55 H new ATOM 0 HB2 ALA A 33 1.059 0.980 -26.602 1.00 31.55 H new ATOM 0 HB3 ALA A 33 -0.076 2.105 -25.820 1.00 31.55 H new ATOM 518 N SER A 34 -2.509 1.106 -24.570 1.00 50.12 N ATOM 519 CA SER A 34 -3.422 1.343 -23.458 1.00 3.11 C ATOM 520 C SER A 34 -4.288 0.115 -23.195 1.00 0.02 C ATOM 521 O SER A 34 -4.520 -0.261 -22.047 1.00 0.55 O ATOM 522 CB SER A 34 -4.309 2.555 -23.748 1.00 74.22 C ATOM 523 OG SER A 34 -3.529 3.712 -23.994 1.00 22.25 O ATOM 0 H SER A 34 -2.670 1.702 -25.382 1.00 50.12 H new ATOM 0 HA SER A 34 -2.826 1.543 -22.567 1.00 3.11 H new ATOM 0 HB2 SER A 34 -4.941 2.348 -24.612 1.00 74.22 H new ATOM 0 HB3 SER A 34 -4.973 2.734 -22.903 1.00 74.22 H new ATOM 0 HG SER A 34 -3.185 3.686 -24.911 1.00 22.25 H new ATOM 529 N GLY A 35 -4.764 -0.507 -24.269 1.00 51.14 N ATOM 530 CA GLY A 35 -5.600 -1.686 -24.135 1.00 3.22 C ATOM 531 C GLY A 35 -4.829 -2.888 -23.627 1.00 64.01 C ATOM 532 O GLY A 35 -5.383 -3.740 -22.933 1.00 63.24 O ATOM 0 H GLY A 35 -4.586 -0.215 -25.230 1.00 51.14 H new ATOM 0 HA2 GLY A 35 -6.421 -1.470 -23.452 1.00 3.22 H new ATOM 0 HA3 GLY A 35 -6.044 -1.925 -25.101 1.00 3.22 H new ATOM 536 N GLN A 36 -3.548 -2.957 -23.975 1.00 23.51 N ATOM 537 CA GLN A 36 -2.701 -4.066 -23.551 1.00 63.23 C ATOM 538 C GLN A 36 -2.154 -3.828 -22.148 1.00 20.15 C ATOM 539 O GLN A 36 -1.919 -4.773 -21.395 1.00 14.32 O ATOM 540 CB GLN A 36 -1.546 -4.258 -24.535 1.00 64.25 C ATOM 541 CG GLN A 36 -1.774 -5.386 -25.528 1.00 65.45 C ATOM 542 CD GLN A 36 -1.753 -4.910 -26.968 1.00 23.34 C ATOM 543 OE1 GLN A 36 -2.800 -4.696 -27.578 1.00 35.01 O ATOM 544 NE2 GLN A 36 -0.556 -4.742 -27.518 1.00 53.15 N ATOM 0 H GLN A 36 -3.074 -2.259 -24.549 1.00 23.51 H new ATOM 0 HA GLN A 36 -3.310 -4.970 -23.535 1.00 63.23 H new ATOM 0 HB2 GLN A 36 -1.388 -3.329 -25.083 1.00 64.25 H new ATOM 0 HB3 GLN A 36 -0.632 -4.457 -23.975 1.00 64.25 H new ATOM 0 HG2 GLN A 36 -1.006 -6.147 -25.390 1.00 65.45 H new ATOM 0 HG3 GLN A 36 -2.733 -5.860 -25.320 1.00 65.45 H new ATOM 0 HE21 GLN A 36 0.286 -4.932 -26.975 1.00 53.15 H new ATOM 0 HE22 GLN A 36 -0.479 -4.423 -28.484 1.00 53.15 H new ATOM 553 N GLU A 37 -1.953 -2.560 -21.803 1.00 53.11 N ATOM 554 CA GLU A 37 -1.433 -2.199 -20.490 1.00 2.14 C ATOM 555 C GLU A 37 -2.557 -2.123 -19.461 1.00 33.01 C ATOM 556 O GLU A 37 -2.311 -1.942 -18.269 1.00 11.21 O ATOM 557 CB GLU A 37 -0.698 -0.858 -20.558 1.00 72.43 C ATOM 558 CG GLU A 37 0.564 -0.898 -21.404 1.00 34.52 C ATOM 559 CD GLU A 37 1.827 -0.811 -20.570 1.00 43.23 C ATOM 560 OE1 GLU A 37 2.137 -1.787 -19.856 1.00 72.33 O ATOM 561 OE2 GLU A 37 2.507 0.235 -20.633 1.00 0.13 O ATOM 0 H GLU A 37 -2.142 -1.766 -22.415 1.00 53.11 H new ATOM 0 HA GLU A 37 -0.732 -2.974 -20.180 1.00 2.14 H new ATOM 0 HB2 GLU A 37 -1.373 -0.103 -20.962 1.00 72.43 H new ATOM 0 HB3 GLU A 37 -0.438 -0.544 -19.547 1.00 72.43 H new ATOM 0 HG2 GLU A 37 0.579 -1.820 -21.984 1.00 34.52 H new ATOM 0 HG3 GLU A 37 0.546 -0.073 -22.117 1.00 34.52 H new ATOM 568 N ALA A 38 -3.792 -2.263 -19.932 1.00 13.55 N ATOM 569 CA ALA A 38 -4.955 -2.211 -19.054 1.00 23.44 C ATOM 570 C ALA A 38 -4.703 -2.984 -17.764 1.00 22.44 C ATOM 571 O ALA A 38 -5.202 -2.617 -16.701 1.00 33.52 O ATOM 572 CB ALA A 38 -6.181 -2.759 -19.769 1.00 22.42 C ATOM 0 H ALA A 38 -4.013 -2.413 -20.916 1.00 13.55 H new ATOM 0 HA ALA A 38 -5.136 -1.168 -18.793 1.00 23.44 H new ATOM 0 HB1 ALA A 38 -7.042 -2.714 -19.102 1.00 22.42 H new ATOM 0 HB2 ALA A 38 -6.380 -2.162 -20.659 1.00 22.42 H new ATOM 0 HB3 ALA A 38 -6.001 -3.794 -20.059 1.00 22.42 H new ATOM 578 N GLY A 39 -3.925 -4.058 -17.864 1.00 62.05 N ATOM 579 CA GLY A 39 -3.621 -4.866 -16.698 1.00 71.42 C ATOM 580 C GLY A 39 -4.861 -5.231 -15.906 1.00 54.25 C ATOM 581 O GLY A 39 -5.459 -4.379 -15.249 1.00 0.40 O ATOM 0 H GLY A 39 -3.500 -4.383 -18.733 1.00 62.05 H new ATOM 0 HA2 GLY A 39 -3.114 -5.778 -17.014 1.00 71.42 H new ATOM 0 HA3 GLY A 39 -2.929 -4.323 -16.054 1.00 71.42 H new ATOM 585 N ASP A 40 -5.250 -6.499 -15.970 1.00 73.43 N ATOM 586 CA ASP A 40 -6.428 -6.975 -15.254 1.00 53.21 C ATOM 587 C ASP A 40 -6.344 -6.620 -13.773 1.00 0.51 C ATOM 588 O ASP A 40 -7.295 -6.116 -13.175 1.00 32.21 O ATOM 589 CB ASP A 40 -6.577 -8.488 -15.421 1.00 4.13 C ATOM 590 CG ASP A 40 -6.294 -8.945 -16.838 1.00 55.35 C ATOM 591 OD1 ASP A 40 -5.105 -9.093 -17.189 1.00 22.43 O ATOM 592 OD2 ASP A 40 -7.263 -9.154 -17.598 1.00 33.23 O ATOM 0 H ASP A 40 -4.767 -7.216 -16.511 1.00 73.43 H new ATOM 0 HA ASP A 40 -7.303 -6.483 -15.678 1.00 53.21 H new ATOM 0 HB2 ASP A 40 -5.897 -8.995 -14.736 1.00 4.13 H new ATOM 0 HB3 ASP A 40 -7.589 -8.783 -15.142 1.00 4.13 H new ATOM 597 N PRO A 41 -5.179 -6.888 -13.165 1.00 42.11 N ATOM 598 CA PRO A 41 -4.943 -6.605 -11.746 1.00 65.13 C ATOM 599 C PRO A 41 -4.860 -5.110 -11.459 1.00 53.21 C ATOM 600 O PRO A 41 -4.863 -4.290 -12.377 1.00 25.52 O ATOM 601 CB PRO A 41 -3.595 -7.277 -11.470 1.00 74.51 C ATOM 602 CG PRO A 41 -2.913 -7.316 -12.794 1.00 21.22 C ATOM 603 CD PRO A 41 -4.002 -7.487 -13.816 1.00 70.54 C ATOM 0 HA PRO A 41 -5.755 -6.971 -11.117 1.00 65.13 H new ATOM 0 HB2 PRO A 41 -3.013 -6.713 -10.741 1.00 74.51 H new ATOM 0 HB3 PRO A 41 -3.728 -8.280 -11.064 1.00 74.51 H new ATOM 0 HG2 PRO A 41 -2.352 -6.398 -12.971 1.00 21.22 H new ATOM 0 HG3 PRO A 41 -2.200 -8.139 -12.842 1.00 21.22 H new ATOM 0 HD2 PRO A 41 -3.759 -6.981 -14.750 1.00 70.54 H new ATOM 0 HD3 PRO A 41 -4.167 -8.538 -14.056 1.00 70.54 H new ATOM 611 N GLY A 42 -4.787 -4.761 -10.178 1.00 53.21 N ATOM 612 CA GLY A 42 -4.705 -3.364 -9.793 1.00 50.13 C ATOM 613 C GLY A 42 -3.284 -2.836 -9.826 1.00 33.45 C ATOM 614 O GLY A 42 -3.061 -1.650 -10.067 1.00 51.44 O ATOM 0 H GLY A 42 -4.783 -5.421 -9.400 1.00 53.21 H new ATOM 0 HA2 GLY A 42 -5.326 -2.769 -10.462 1.00 50.13 H new ATOM 0 HA3 GLY A 42 -5.111 -3.243 -8.789 1.00 50.13 H new ATOM 618 N CYS A 43 -2.322 -3.718 -9.580 1.00 21.43 N ATOM 619 CA CYS A 43 -0.915 -3.334 -9.579 1.00 62.22 C ATOM 620 C CYS A 43 -0.511 -2.747 -10.928 1.00 21.23 C ATOM 621 O CYS A 43 0.498 -2.048 -11.036 1.00 32.52 O ATOM 622 CB CYS A 43 -0.035 -4.542 -9.251 1.00 12.52 C ATOM 623 SG CYS A 43 -0.341 -5.984 -10.297 1.00 35.21 S ATOM 0 H CYS A 43 -2.490 -4.704 -9.379 1.00 21.43 H new ATOM 0 HA CYS A 43 -0.773 -2.571 -8.813 1.00 62.22 H new ATOM 0 HB2 CYS A 43 1.011 -4.252 -9.347 1.00 12.52 H new ATOM 0 HB3 CYS A 43 -0.194 -4.822 -8.210 1.00 12.52 H new ATOM 0 HG CYS A 43 0.452 -6.952 -9.945 1.00 35.21 H new ATOM 629 N LEU A 44 -1.303 -3.036 -11.954 1.00 32.41 N ATOM 630 CA LEU A 44 -1.028 -2.538 -13.297 1.00 62.52 C ATOM 631 C LEU A 44 -1.717 -1.199 -13.533 1.00 53.53 C ATOM 632 O LEU A 44 -1.424 -0.499 -14.503 1.00 73.45 O ATOM 633 CB LEU A 44 -1.490 -3.554 -14.344 1.00 21.14 C ATOM 634 CG LEU A 44 -0.433 -4.548 -14.826 1.00 72.43 C ATOM 635 CD1 LEU A 44 0.594 -3.851 -15.705 1.00 31.22 C ATOM 636 CD2 LEU A 44 0.245 -5.223 -13.643 1.00 14.04 C ATOM 0 H LEU A 44 -2.141 -3.613 -11.882 1.00 32.41 H new ATOM 0 HA LEU A 44 0.048 -2.393 -13.390 1.00 62.52 H new ATOM 0 HB2 LEU A 44 -2.327 -4.116 -13.931 1.00 21.14 H new ATOM 0 HB3 LEU A 44 -1.868 -3.008 -15.209 1.00 21.14 H new ATOM 0 HG LEU A 44 -0.929 -5.315 -15.420 1.00 72.43 H new ATOM 0 HD11 LEU A 44 1.338 -4.574 -16.039 1.00 31.22 H new ATOM 0 HD12 LEU A 44 0.096 -3.417 -16.572 1.00 31.22 H new ATOM 0 HD13 LEU A 44 1.085 -3.062 -15.135 1.00 31.22 H new ATOM 0 HD21 LEU A 44 0.994 -5.927 -14.006 1.00 14.04 H new ATOM 0 HD22 LEU A 44 0.727 -4.469 -13.021 1.00 14.04 H new ATOM 0 HD23 LEU A 44 -0.500 -5.758 -13.053 1.00 14.04 H new ATOM 648 N LYS A 45 -2.634 -0.845 -12.639 1.00 2.14 N ATOM 649 CA LYS A 45 -3.363 0.413 -12.746 1.00 74.12 C ATOM 650 C LYS A 45 -2.403 1.587 -12.910 1.00 72.44 C ATOM 651 O LYS A 45 -2.617 2.486 -13.724 1.00 34.15 O ATOM 652 CB LYS A 45 -4.239 0.626 -11.509 1.00 71.33 C ATOM 653 CG LYS A 45 -5.600 1.224 -11.823 1.00 24.42 C ATOM 654 CD LYS A 45 -6.694 0.594 -10.977 1.00 3.33 C ATOM 655 CE LYS A 45 -7.853 0.111 -11.834 1.00 52.23 C ATOM 656 NZ LYS A 45 -7.772 -1.351 -12.104 1.00 41.04 N ATOM 0 H LYS A 45 -2.890 -1.413 -11.831 1.00 2.14 H new ATOM 0 HA LYS A 45 -3.999 0.361 -13.630 1.00 74.12 H new ATOM 0 HB2 LYS A 45 -4.379 -0.330 -11.004 1.00 71.33 H new ATOM 0 HB3 LYS A 45 -3.716 1.281 -10.812 1.00 71.33 H new ATOM 0 HG2 LYS A 45 -5.576 2.299 -11.646 1.00 24.42 H new ATOM 0 HG3 LYS A 45 -5.827 1.080 -12.879 1.00 24.42 H new ATOM 0 HD2 LYS A 45 -6.283 -0.244 -10.414 1.00 3.33 H new ATOM 0 HD3 LYS A 45 -7.056 1.320 -10.249 1.00 3.33 H new ATOM 0 HE2 LYS A 45 -8.794 0.336 -11.332 1.00 52.23 H new ATOM 0 HE3 LYS A 45 -7.858 0.655 -12.779 1.00 52.23 H new ATOM 0 HZ1 LYS A 45 -8.580 -1.641 -12.691 1.00 41.04 H new ATOM 0 HZ2 LYS A 45 -6.886 -1.563 -12.606 1.00 41.04 H new ATOM 0 HZ3 LYS A 45 -7.793 -1.872 -11.204 1.00 41.04 H new ATOM 670 N PRO A 46 -1.318 1.579 -12.122 1.00 11.41 N ATOM 671 CA PRO A 46 -0.303 2.636 -12.163 1.00 65.42 C ATOM 672 C PRO A 46 0.513 2.606 -13.452 1.00 32.25 C ATOM 673 O PRO A 46 1.062 3.624 -13.875 1.00 13.14 O ATOM 674 CB PRO A 46 0.588 2.319 -10.959 1.00 61.43 C ATOM 675 CG PRO A 46 0.418 0.855 -10.737 1.00 13.52 C ATOM 676 CD PRO A 46 -0.999 0.539 -11.130 1.00 1.13 C ATOM 0 HA PRO A 46 -0.748 3.630 -12.131 1.00 65.42 H new ATOM 0 HB2 PRO A 46 1.629 2.571 -11.160 1.00 61.43 H new ATOM 0 HB3 PRO A 46 0.286 2.890 -10.081 1.00 61.43 H new ATOM 0 HG2 PRO A 46 1.126 0.284 -11.338 1.00 13.52 H new ATOM 0 HG3 PRO A 46 0.601 0.594 -9.695 1.00 13.52 H new ATOM 0 HD2 PRO A 46 -1.085 -0.461 -11.555 1.00 1.13 H new ATOM 0 HD3 PRO A 46 -1.672 0.580 -10.274 1.00 1.13 H new ATOM 684 N LEU A 47 0.588 1.433 -14.072 1.00 12.45 N ATOM 685 CA LEU A 47 1.336 1.271 -15.313 1.00 42.02 C ATOM 686 C LEU A 47 0.450 1.548 -16.523 1.00 70.13 C ATOM 687 O LEU A 47 0.936 1.931 -17.588 1.00 5.23 O ATOM 688 CB LEU A 47 1.914 -0.143 -15.402 1.00 51.45 C ATOM 689 CG LEU A 47 3.423 -0.266 -15.187 1.00 34.03 C ATOM 690 CD1 LEU A 47 3.739 -0.424 -13.708 1.00 21.54 C ATOM 691 CD2 LEU A 47 3.981 -1.437 -15.982 1.00 20.11 C ATOM 0 H LEU A 47 0.140 0.581 -13.735 1.00 12.45 H new ATOM 0 HA LEU A 47 2.154 1.992 -15.313 1.00 42.02 H new ATOM 0 HB2 LEU A 47 1.410 -0.767 -14.664 1.00 51.45 H new ATOM 0 HB3 LEU A 47 1.672 -0.552 -16.383 1.00 51.45 H new ATOM 0 HG LEU A 47 3.898 0.648 -15.544 1.00 34.03 H new ATOM 0 HD11 LEU A 47 4.817 -0.510 -13.573 1.00 21.54 H new ATOM 0 HD12 LEU A 47 3.374 0.446 -13.163 1.00 21.54 H new ATOM 0 HD13 LEU A 47 3.253 -1.322 -13.326 1.00 21.54 H new ATOM 0 HD21 LEU A 47 5.056 -1.509 -15.817 1.00 20.11 H new ATOM 0 HD22 LEU A 47 3.501 -2.360 -15.656 1.00 20.11 H new ATOM 0 HD23 LEU A 47 3.786 -1.282 -17.043 1.00 20.11 H new ATOM 703 N HIS A 48 -0.854 1.353 -16.353 1.00 1.25 N ATOM 704 CA HIS A 48 -1.809 1.585 -17.430 1.00 71.32 C ATOM 705 C HIS A 48 -2.214 3.055 -17.491 1.00 62.50 C ATOM 706 O HIS A 48 -2.382 3.617 -18.573 1.00 33.35 O ATOM 707 CB HIS A 48 -3.048 0.710 -17.239 1.00 33.05 C ATOM 708 CG HIS A 48 -4.305 1.493 -17.011 1.00 24.24 C ATOM 709 ND1 HIS A 48 -4.866 1.953 -15.868 1.00 44.21 N flip ATOM 710 CD2 HIS A 48 -5.142 1.887 -18.033 1.00 40.12 C flip ATOM 711 CE1 HIS A 48 -6.019 2.612 -16.218 1.00 34.24 C flip ATOM 712 NE2 HIS A 48 -6.162 2.558 -17.530 1.00 32.53 N flip ATOM 0 H HIS A 48 -1.273 1.035 -15.479 1.00 1.25 H new ATOM 0 HA HIS A 48 -1.328 1.320 -18.372 1.00 71.32 H new ATOM 0 HB2 HIS A 48 -3.177 0.080 -18.119 1.00 33.05 H new ATOM 0 HB3 HIS A 48 -2.885 0.044 -16.391 1.00 33.05 H new ATOM 0 HD2 HIS A 48 -4.988 1.679 -19.082 1.00 40.12 H new ATOM 0 HE1 HIS A 48 -6.698 3.096 -15.532 1.00 34.24 H new ATOM 0 HE2 HIS A 48 -6.930 2.965 -18.064 1.00 32.53 H new ATOM 720 N GLU A 49 -2.369 3.670 -16.323 1.00 24.33 N ATOM 721 CA GLU A 49 -2.755 5.073 -16.245 1.00 13.54 C ATOM 722 C GLU A 49 -1.810 5.945 -17.067 1.00 74.44 C ATOM 723 O GLU A 49 -2.232 6.914 -17.698 1.00 51.14 O ATOM 724 CB GLU A 49 -2.762 5.543 -14.788 1.00 42.45 C ATOM 725 CG GLU A 49 -1.515 5.148 -14.016 1.00 20.44 C ATOM 726 CD GLU A 49 -0.556 6.306 -13.822 1.00 13.52 C ATOM 727 OE1 GLU A 49 -0.331 7.058 -14.794 1.00 22.24 O ATOM 728 OE2 GLU A 49 -0.032 6.462 -12.699 1.00 62.04 O ATOM 0 H GLU A 49 -2.233 3.219 -15.418 1.00 24.33 H new ATOM 0 HA GLU A 49 -3.760 5.169 -16.656 1.00 13.54 H new ATOM 0 HB2 GLU A 49 -2.865 6.628 -14.765 1.00 42.45 H new ATOM 0 HB3 GLU A 49 -3.636 5.129 -14.286 1.00 42.45 H new ATOM 0 HG2 GLU A 49 -1.805 4.755 -13.042 1.00 20.44 H new ATOM 0 HG3 GLU A 49 -1.004 4.343 -14.545 1.00 20.44 H new ATOM 735 N LYS A 50 -0.529 5.592 -17.055 1.00 53.45 N ATOM 736 CA LYS A 50 0.477 6.340 -17.800 1.00 62.20 C ATOM 737 C LYS A 50 0.085 6.466 -19.269 1.00 11.54 C ATOM 738 O LYS A 50 0.199 7.540 -19.861 1.00 22.40 O ATOM 739 CB LYS A 50 1.841 5.655 -17.683 1.00 11.24 C ATOM 740 CG LYS A 50 2.676 5.742 -18.948 1.00 42.42 C ATOM 741 CD LYS A 50 3.002 7.183 -19.303 1.00 2.40 C ATOM 742 CE LYS A 50 4.337 7.614 -18.714 1.00 13.21 C ATOM 743 NZ LYS A 50 4.927 8.761 -19.458 1.00 64.34 N ATOM 0 H LYS A 50 -0.163 4.793 -16.538 1.00 53.45 H new ATOM 0 HA LYS A 50 0.541 7.340 -17.372 1.00 62.20 H new ATOM 0 HB2 LYS A 50 2.395 6.106 -16.860 1.00 11.24 H new ATOM 0 HB3 LYS A 50 1.691 4.606 -17.428 1.00 11.24 H new ATOM 0 HG2 LYS A 50 3.601 5.181 -18.814 1.00 42.42 H new ATOM 0 HG3 LYS A 50 2.138 5.276 -19.773 1.00 42.42 H new ATOM 0 HD2 LYS A 50 3.028 7.295 -20.387 1.00 2.40 H new ATOM 0 HD3 LYS A 50 2.212 7.837 -18.934 1.00 2.40 H new ATOM 0 HE2 LYS A 50 4.200 7.891 -17.669 1.00 13.21 H new ATOM 0 HE3 LYS A 50 5.031 6.773 -18.733 1.00 13.21 H new ATOM 0 HZ1 LYS A 50 5.836 9.025 -19.026 1.00 64.34 H new ATOM 0 HZ2 LYS A 50 5.081 8.489 -20.450 1.00 64.34 H new ATOM 0 HZ3 LYS A 50 4.277 9.572 -19.419 1.00 64.34 H new ATOM 757 N ASP A 51 -0.379 5.365 -19.849 1.00 44.44 N ATOM 758 CA ASP A 51 -0.790 5.354 -21.248 1.00 54.23 C ATOM 759 C ASP A 51 -2.180 5.962 -21.410 1.00 74.55 C ATOM 760 O ASP A 51 -2.574 6.351 -22.510 1.00 32.22 O ATOM 761 CB ASP A 51 -0.778 3.926 -21.795 1.00 24.45 C ATOM 762 CG ASP A 51 0.322 3.081 -21.181 1.00 42.34 C ATOM 763 OD1 ASP A 51 1.488 3.223 -21.608 1.00 15.40 O ATOM 764 OD2 ASP A 51 0.018 2.279 -20.274 1.00 72.15 O ATOM 0 H ASP A 51 -0.480 4.469 -19.372 1.00 44.44 H new ATOM 0 HA ASP A 51 -0.080 5.957 -21.814 1.00 54.23 H new ATOM 0 HB2 ASP A 51 -1.743 3.458 -21.602 1.00 24.45 H new ATOM 0 HB3 ASP A 51 -0.649 3.955 -22.877 1.00 24.45 H new ATOM 769 N SER A 52 -2.919 6.038 -20.308 1.00 54.33 N ATOM 770 CA SER A 52 -4.268 6.594 -20.329 1.00 64.40 C ATOM 771 C SER A 52 -4.231 8.101 -20.560 1.00 43.15 C ATOM 772 O SER A 52 -5.105 8.659 -21.223 1.00 3.11 O ATOM 773 CB SER A 52 -4.989 6.285 -19.016 1.00 11.33 C ATOM 774 OG SER A 52 -5.455 4.947 -18.991 1.00 43.15 O ATOM 0 H SER A 52 -2.607 5.722 -19.390 1.00 54.33 H new ATOM 0 HA SER A 52 -4.813 6.132 -21.152 1.00 64.40 H new ATOM 0 HB2 SER A 52 -4.312 6.453 -18.178 1.00 11.33 H new ATOM 0 HB3 SER A 52 -5.829 6.968 -18.890 1.00 11.33 H new ATOM 0 HG SER A 52 -5.483 4.628 -18.065 1.00 43.15 H new ATOM 780 N GLU A 53 -3.212 8.753 -20.009 1.00 40.40 N ATOM 781 CA GLU A 53 -3.061 10.197 -20.155 1.00 33.55 C ATOM 782 C GLU A 53 -3.017 10.593 -21.627 1.00 41.24 C ATOM 783 O GLU A 53 -3.588 11.608 -22.025 1.00 40.43 O ATOM 784 CB GLU A 53 -1.790 10.673 -19.448 1.00 72.33 C ATOM 785 CG GLU A 53 -1.422 9.840 -18.232 1.00 4.33 C ATOM 786 CD GLU A 53 -0.940 10.687 -17.070 1.00 1.03 C ATOM 787 OE1 GLU A 53 -0.593 11.865 -17.297 1.00 34.14 O ATOM 788 OE2 GLU A 53 -0.910 10.171 -15.933 1.00 30.13 O ATOM 0 H GLU A 53 -2.479 8.305 -19.458 1.00 40.40 H new ATOM 0 HA GLU A 53 -3.925 10.676 -19.694 1.00 33.55 H new ATOM 0 HB2 GLU A 53 -0.961 10.653 -20.156 1.00 72.33 H new ATOM 0 HB3 GLU A 53 -1.922 11.710 -19.141 1.00 72.33 H new ATOM 0 HG2 GLU A 53 -2.289 9.259 -17.918 1.00 4.33 H new ATOM 0 HG3 GLU A 53 -0.643 9.128 -18.506 1.00 4.33 H new ATOM 795 N SER A 54 -2.334 9.785 -22.432 1.00 21.34 N ATOM 796 CA SER A 54 -2.210 10.053 -23.860 1.00 35.34 C ATOM 797 C SER A 54 -3.396 9.474 -24.625 1.00 74.04 C ATOM 798 O SER A 54 -3.810 10.013 -25.651 1.00 72.20 O ATOM 799 CB SER A 54 -0.905 9.466 -24.399 1.00 61.43 C ATOM 800 OG SER A 54 0.100 9.453 -23.400 1.00 40.12 O ATOM 0 H SER A 54 -1.858 8.939 -22.119 1.00 21.34 H new ATOM 0 HA SER A 54 -2.200 11.134 -24.003 1.00 35.34 H new ATOM 0 HB2 SER A 54 -1.080 8.451 -24.757 1.00 61.43 H new ATOM 0 HB3 SER A 54 -0.565 10.051 -25.253 1.00 61.43 H new ATOM 0 HG SER A 54 0.924 9.072 -23.769 1.00 40.12 H new ATOM 806 N GLY A 55 -3.939 8.371 -24.118 1.00 52.12 N ATOM 807 CA GLY A 55 -5.072 7.736 -24.766 1.00 40.31 C ATOM 808 C GLY A 55 -6.259 8.669 -24.903 1.00 32.34 C ATOM 809 O GLY A 55 -7.157 8.428 -25.708 1.00 34.30 O ATOM 0 H GLY A 55 -3.614 7.906 -23.270 1.00 52.12 H new ATOM 0 HA2 GLY A 55 -4.773 7.386 -25.754 1.00 40.31 H new ATOM 0 HA3 GLY A 55 -5.369 6.857 -24.193 1.00 40.31 H new ATOM 813 N GLY A 56 -6.265 9.737 -24.111 1.00 42.44 N ATOM 814 CA GLY A 56 -7.357 10.692 -24.162 1.00 4.12 C ATOM 815 C GLY A 56 -7.531 11.301 -25.539 1.00 32.01 C ATOM 816 O GLY A 56 -8.654 11.545 -25.980 1.00 25.51 O ATOM 0 H GLY A 56 -5.534 9.958 -23.435 1.00 42.44 H new ATOM 0 HA2 GLY A 56 -8.282 10.197 -23.867 1.00 4.12 H new ATOM 0 HA3 GLY A 56 -7.175 11.486 -23.437 1.00 4.12 H new ATOM 820 N GLY A 57 -6.417 11.549 -26.220 1.00 43.43 N ATOM 821 CA GLY A 57 -6.473 12.133 -27.548 1.00 14.44 C ATOM 822 C GLY A 57 -7.320 11.318 -28.504 1.00 62.54 C ATOM 823 O GLY A 57 -8.080 11.871 -29.299 1.00 71.54 O ATOM 0 H GLY A 57 -5.476 11.356 -25.876 1.00 43.43 H new ATOM 0 HA2 GLY A 57 -6.877 13.143 -27.481 1.00 14.44 H new ATOM 0 HA3 GLY A 57 -5.462 12.220 -27.946 1.00 14.44 H new ATOM 827 N LYS A 58 -7.188 9.997 -28.430 1.00 41.52 N ATOM 828 CA LYS A 58 -7.946 9.102 -29.296 1.00 50.43 C ATOM 829 C LYS A 58 -9.339 8.847 -28.729 1.00 24.30 C ATOM 830 O LYS A 58 -10.271 8.529 -29.467 1.00 53.33 O ATOM 831 CB LYS A 58 -7.203 7.776 -29.469 1.00 63.12 C ATOM 832 CG LYS A 58 -8.011 6.716 -30.197 1.00 34.23 C ATOM 833 CD LYS A 58 -8.712 5.783 -29.223 1.00 0.11 C ATOM 834 CE LYS A 58 -7.763 4.723 -28.686 1.00 2.14 C ATOM 835 NZ LYS A 58 -8.324 4.029 -27.493 1.00 43.23 N ATOM 0 H LYS A 58 -6.563 9.523 -27.778 1.00 41.52 H new ATOM 0 HA LYS A 58 -8.051 9.581 -30.269 1.00 50.43 H new ATOM 0 HB2 LYS A 58 -6.278 7.956 -30.017 1.00 63.12 H new ATOM 0 HB3 LYS A 58 -6.922 7.396 -28.487 1.00 63.12 H new ATOM 0 HG2 LYS A 58 -8.750 7.197 -30.838 1.00 34.23 H new ATOM 0 HG3 LYS A 58 -7.354 6.138 -30.847 1.00 34.23 H new ATOM 0 HD2 LYS A 58 -9.120 6.361 -28.394 1.00 0.11 H new ATOM 0 HD3 LYS A 58 -9.553 5.301 -29.721 1.00 0.11 H new ATOM 0 HE2 LYS A 58 -7.556 3.992 -29.467 1.00 2.14 H new ATOM 0 HE3 LYS A 58 -6.812 5.187 -28.423 1.00 2.14 H new ATOM 0 HZ1 LYS A 58 -7.647 3.314 -27.157 1.00 43.23 H new ATOM 0 HZ2 LYS A 58 -8.498 4.723 -26.738 1.00 43.23 H new ATOM 0 HZ3 LYS A 58 -9.219 3.565 -27.750 1.00 43.23 H new ATOM 849 N ASP A 59 -9.472 8.988 -27.415 1.00 12.21 N ATOM 850 CA ASP A 59 -10.752 8.775 -26.749 1.00 70.01 C ATOM 851 C ASP A 59 -11.665 9.984 -26.926 1.00 3.40 C ATOM 852 O ASP A 59 -12.888 9.866 -26.868 1.00 61.42 O ATOM 853 CB ASP A 59 -10.537 8.496 -25.261 1.00 4.33 C ATOM 854 CG ASP A 59 -10.755 7.038 -24.907 1.00 54.40 C ATOM 855 OD1 ASP A 59 -11.821 6.495 -25.264 1.00 15.30 O ATOM 856 OD2 ASP A 59 -9.861 6.441 -24.273 1.00 22.25 O ATOM 0 H ASP A 59 -8.709 9.249 -26.790 1.00 12.21 H new ATOM 0 HA ASP A 59 -11.232 7.910 -27.207 1.00 70.01 H new ATOM 0 HB2 ASP A 59 -9.524 8.787 -24.983 1.00 4.33 H new ATOM 0 HB3 ASP A 59 -11.218 9.114 -24.676 1.00 4.33 H new ATOM 861 N GLY A 60 -11.061 11.149 -27.141 1.00 4.31 N ATOM 862 CA GLY A 60 -11.834 12.364 -27.322 1.00 21.15 C ATOM 863 C GLY A 60 -11.409 13.145 -28.549 1.00 62.32 C ATOM 864 O GLY A 60 -10.931 14.274 -28.440 1.00 63.30 O ATOM 0 H GLY A 60 -10.050 11.273 -27.193 1.00 4.31 H new ATOM 0 HA2 GLY A 60 -12.891 12.109 -27.405 1.00 21.15 H new ATOM 0 HA3 GLY A 60 -11.727 12.994 -26.439 1.00 21.15 H new