USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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 27 LYS NZ :NH3+ 154:sc= 0.0384 (180deg=0) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.0363 X(o=0.075,f=-0.36) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.201 (180deg=-0.834) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -66:sc= 0.722 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0515) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= 1.31 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0443) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00577 X(o=-0.0058,f=-0.0058) USER MOD Single : A 41 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.23) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00849 X(o=-0.0085,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -99:sc= -2.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 0 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 0 1.790 1.230 -2.089 1.00 14.05 C ATOM 4 O GLY A 0 1.147 1.140 -3.134 1.00 15.40 O ATOM 0 H1 GLY A 0 1.557 -0.860 0.538 1.00 13.00 H new ATOM 0 H2 GLY A 0 1.591 0.837 0.559 1.00 13.00 H new ATOM 0 H3 GLY A 0 0.310 0.023 -0.202 1.00 13.00 H new ATOM 0 HA2 GLY A 0 3.138 -0.051 -1.032 1.00 45.03 H new ATOM 0 HA3 GLY A 0 1.817 -0.892 -1.818 1.00 45.03 H new ATOM 8 N MET A 1 2.270 2.381 -1.631 1.00 4.40 N ATOM 9 CA MET A 1 2.066 3.634 -2.349 1.00 74.02 C ATOM 10 C MET A 1 3.181 3.868 -3.363 1.00 3.13 C ATOM 11 O MET A 1 3.273 4.940 -3.961 1.00 21.15 O ATOM 12 CB MET A 1 1.999 4.805 -1.367 1.00 20.11 C ATOM 13 CG MET A 1 1.042 5.905 -1.797 1.00 2.13 C ATOM 14 SD MET A 1 -0.650 5.606 -1.251 1.00 72.13 S ATOM 15 CE MET A 1 -0.466 5.758 0.524 1.00 42.32 C ATOM 0 H MET A 1 2.803 2.472 -0.766 1.00 4.40 H new ATOM 0 HA MET A 1 1.120 3.566 -2.886 1.00 74.02 H new ATOM 0 HB2 MET A 1 1.695 4.432 -0.389 1.00 20.11 H new ATOM 0 HB3 MET A 1 2.997 5.228 -1.250 1.00 20.11 H new ATOM 0 HG2 MET A 1 1.386 6.858 -1.395 1.00 2.13 H new ATOM 0 HG3 MET A 1 1.059 5.992 -2.883 1.00 2.13 H new ATOM 0 HE1 MET A 1 -1.412 6.076 0.962 1.00 42.32 H new ATOM 0 HE2 MET A 1 -0.177 4.794 0.944 1.00 42.32 H new ATOM 0 HE3 MET A 1 0.304 6.496 0.748 1.00 42.32 H new ATOM 25 N GLN A 2 4.026 2.859 -3.550 1.00 1.32 N ATOM 26 CA GLN A 2 5.136 2.957 -4.490 1.00 40.44 C ATOM 27 C GLN A 2 4.634 2.930 -5.930 1.00 55.21 C ATOM 28 O GLN A 2 3.667 2.236 -6.247 1.00 52.51 O ATOM 29 CB GLN A 2 6.128 1.815 -4.262 1.00 51.52 C ATOM 30 CG GLN A 2 7.323 2.209 -3.409 1.00 41.14 C ATOM 31 CD GLN A 2 7.665 1.164 -2.366 1.00 12.03 C ATOM 32 OE1 GLN A 2 6.864 0.872 -1.478 1.00 34.25 O ATOM 33 NE2 GLN A 2 8.860 0.594 -2.467 1.00 52.04 N ATOM 0 H GLN A 2 3.963 1.965 -3.063 1.00 1.32 H new ATOM 0 HA GLN A 2 5.641 3.907 -4.318 1.00 40.44 H new ATOM 0 HB2 GLN A 2 5.609 0.984 -3.784 1.00 51.52 H new ATOM 0 HB3 GLN A 2 6.484 1.456 -5.228 1.00 51.52 H new ATOM 0 HG2 GLN A 2 8.187 2.370 -4.053 1.00 41.14 H new ATOM 0 HG3 GLN A 2 7.114 3.157 -2.913 1.00 41.14 H new ATOM 0 HE21 GLN A 2 9.493 0.866 -3.219 1.00 52.04 H new ATOM 0 HE22 GLN A 2 9.145 -0.116 -1.792 1.00 52.04 H new ATOM 42 N ILE A 3 5.295 3.689 -6.797 1.00 4.21 N ATOM 43 CA ILE A 3 4.916 3.751 -8.203 1.00 15.23 C ATOM 44 C ILE A 3 5.994 3.140 -9.091 1.00 34.50 C ATOM 45 O ILE A 3 7.103 2.859 -8.636 1.00 13.01 O ATOM 46 CB ILE A 3 4.657 5.201 -8.653 1.00 4.43 C ATOM 47 CG1 ILE A 3 5.826 6.101 -8.244 1.00 34.12 C ATOM 48 CG2 ILE A 3 3.354 5.715 -8.061 1.00 14.42 C ATOM 49 CD1 ILE A 3 6.231 7.089 -9.315 1.00 63.20 C ATOM 0 H ILE A 3 6.096 4.270 -6.550 1.00 4.21 H new ATOM 0 HA ILE A 3 3.995 3.177 -8.307 1.00 15.23 H new ATOM 0 HB ILE A 3 4.571 5.219 -9.739 1.00 4.43 H new ATOM 0 HG12 ILE A 3 5.555 6.647 -7.341 1.00 34.12 H new ATOM 0 HG13 ILE A 3 6.684 5.477 -7.993 1.00 34.12 H new ATOM 0 HG21 ILE A 3 3.185 6.741 -8.388 1.00 14.42 H new ATOM 0 HG22 ILE A 3 2.529 5.087 -8.397 1.00 14.42 H new ATOM 0 HG23 ILE A 3 3.412 5.686 -6.973 1.00 14.42 H new ATOM 0 HD11 ILE A 3 7.064 7.693 -8.956 1.00 63.20 H new ATOM 0 HD12 ILE A 3 6.534 6.549 -10.212 1.00 63.20 H new ATOM 0 HD13 ILE A 3 5.387 7.738 -9.549 1.00 63.20 H new ATOM 61 N PHE A 4 5.661 2.937 -10.361 1.00 71.44 N ATOM 62 CA PHE A 4 6.601 2.359 -11.315 1.00 72.10 C ATOM 63 C PHE A 4 6.709 3.227 -12.566 1.00 22.45 C ATOM 64 O PHE A 4 5.702 3.682 -13.108 1.00 63.22 O ATOM 65 CB PHE A 4 6.165 0.943 -11.699 1.00 4.31 C ATOM 66 CG PHE A 4 7.133 -0.120 -11.265 1.00 22.14 C ATOM 67 CD1 PHE A 4 8.356 -0.264 -11.900 1.00 71.03 C ATOM 68 CD2 PHE A 4 6.820 -0.975 -10.220 1.00 65.33 C ATOM 69 CE1 PHE A 4 9.248 -1.242 -11.503 1.00 73.20 C ATOM 70 CE2 PHE A 4 7.709 -1.955 -9.818 1.00 74.23 C ATOM 71 CZ PHE A 4 8.924 -2.088 -10.460 1.00 23.00 C ATOM 0 H PHE A 4 4.747 3.164 -10.754 1.00 71.44 H new ATOM 0 HA PHE A 4 7.581 2.314 -10.840 1.00 72.10 H new ATOM 0 HB2 PHE A 4 5.190 0.739 -11.256 1.00 4.31 H new ATOM 0 HB3 PHE A 4 6.041 0.890 -12.781 1.00 4.31 H new ATOM 0 HD1 PHE A 4 8.615 0.396 -12.715 1.00 71.03 H new ATOM 0 HD2 PHE A 4 5.871 -0.875 -9.714 1.00 65.33 H new ATOM 0 HE1 PHE A 4 10.197 -1.345 -12.008 1.00 73.20 H new ATOM 0 HE2 PHE A 4 7.453 -2.616 -9.003 1.00 74.23 H new ATOM 0 HZ PHE A 4 9.620 -2.852 -10.147 1.00 23.00 H new ATOM 81 N VAL A 5 7.939 3.452 -13.017 1.00 72.05 N ATOM 82 CA VAL A 5 8.180 4.264 -14.204 1.00 3.42 C ATOM 83 C VAL A 5 8.824 3.440 -15.313 1.00 32.21 C ATOM 84 O VAL A 5 9.830 2.764 -15.096 1.00 12.02 O ATOM 85 CB VAL A 5 9.085 5.469 -13.884 1.00 51.43 C ATOM 86 CG1 VAL A 5 9.157 6.414 -15.074 1.00 73.25 C ATOM 87 CG2 VAL A 5 8.585 6.197 -12.645 1.00 73.24 C ATOM 0 H VAL A 5 8.783 3.084 -12.579 1.00 72.05 H new ATOM 0 HA VAL A 5 7.209 4.626 -14.542 1.00 3.42 H new ATOM 0 HB VAL A 5 10.091 5.101 -13.681 1.00 51.43 H new ATOM 0 HG11 VAL A 5 9.801 7.259 -14.829 1.00 73.25 H new ATOM 0 HG12 VAL A 5 9.565 5.884 -15.935 1.00 73.25 H new ATOM 0 HG13 VAL A 5 8.157 6.777 -15.312 1.00 73.25 H new ATOM 0 HG21 VAL A 5 9.236 7.045 -12.434 1.00 73.24 H new ATOM 0 HG22 VAL A 5 7.569 6.553 -12.817 1.00 73.24 H new ATOM 0 HG23 VAL A 5 8.591 5.515 -11.795 1.00 73.24 H new ATOM 97 N LYS A 6 8.237 3.500 -16.504 1.00 22.14 N ATOM 98 CA LYS A 6 8.753 2.761 -17.650 1.00 22.45 C ATOM 99 C LYS A 6 9.488 3.690 -18.610 1.00 64.22 C ATOM 100 O LYS A 6 9.044 4.808 -18.872 1.00 74.12 O ATOM 101 CB LYS A 6 7.611 2.052 -18.382 1.00 3.41 C ATOM 102 CG LYS A 6 8.001 0.699 -18.952 1.00 13.34 C ATOM 103 CD LYS A 6 6.824 0.021 -19.632 1.00 55.12 C ATOM 104 CE LYS A 6 7.276 -0.839 -20.802 1.00 61.11 C ATOM 105 NZ LYS A 6 6.956 -0.207 -22.112 1.00 30.01 N ATOM 0 H LYS A 6 7.403 4.053 -16.700 1.00 22.14 H new ATOM 0 HA LYS A 6 9.458 2.016 -17.283 1.00 22.45 H new ATOM 0 HB2 LYS A 6 6.776 1.920 -17.694 1.00 3.41 H new ATOM 0 HB3 LYS A 6 7.258 2.690 -19.192 1.00 3.41 H new ATOM 0 HG2 LYS A 6 8.813 0.825 -19.668 1.00 13.34 H new ATOM 0 HG3 LYS A 6 8.377 0.061 -18.152 1.00 13.34 H new ATOM 0 HD2 LYS A 6 6.292 -0.597 -18.909 1.00 55.12 H new ATOM 0 HD3 LYS A 6 6.122 0.776 -19.984 1.00 55.12 H new ATOM 0 HE2 LYS A 6 8.350 -1.009 -20.734 1.00 61.11 H new ATOM 0 HE3 LYS A 6 6.794 -1.815 -20.743 1.00 61.11 H new ATOM 0 HZ1 LYS A 6 7.280 -0.824 -22.884 1.00 30.01 H new ATOM 0 HZ2 LYS A 6 5.928 -0.068 -22.188 1.00 30.01 H new ATOM 0 HZ3 LYS A 6 7.436 0.713 -22.180 1.00 30.01 H new ATOM 119 N THR A 7 10.616 3.220 -19.135 1.00 21.25 N ATOM 120 CA THR A 7 11.413 4.008 -20.066 1.00 55.13 C ATOM 121 C THR A 7 11.318 3.448 -21.481 1.00 23.22 C ATOM 122 O THR A 7 10.709 2.401 -21.706 1.00 14.41 O ATOM 123 CB THR A 7 12.893 4.053 -19.642 1.00 15.32 C ATOM 124 OG1 THR A 7 13.421 2.725 -19.565 1.00 61.33 O ATOM 125 CG2 THR A 7 13.049 4.745 -18.296 1.00 35.22 C ATOM 0 H THR A 7 10.998 2.297 -18.930 1.00 21.25 H new ATOM 0 HA THR A 7 11.008 5.020 -20.050 1.00 55.13 H new ATOM 0 HB THR A 7 13.446 4.620 -20.391 1.00 15.32 H new ATOM 0 HG1 THR A 7 12.974 2.237 -18.843 1.00 61.33 H new ATOM 0 HG21 THR A 7 14.103 4.765 -18.017 1.00 35.22 H new ATOM 0 HG22 THR A 7 12.673 5.766 -18.366 1.00 35.22 H new ATOM 0 HG23 THR A 7 12.484 4.201 -17.539 1.00 35.22 H new ATOM 133 N LEU A 8 11.925 4.149 -22.432 1.00 5.34 N ATOM 134 CA LEU A 8 11.911 3.721 -23.826 1.00 73.00 C ATOM 135 C LEU A 8 12.937 2.618 -24.068 1.00 15.31 C ATOM 136 O LEU A 8 13.038 2.080 -25.171 1.00 42.30 O ATOM 137 CB LEU A 8 12.194 4.908 -24.748 1.00 4.32 C ATOM 138 CG LEU A 8 11.822 4.720 -26.219 1.00 13.22 C ATOM 139 CD1 LEU A 8 10.335 4.433 -26.360 1.00 61.12 C ATOM 140 CD2 LEU A 8 12.209 5.949 -27.028 1.00 53.24 C ATOM 0 H LEU A 8 12.433 5.017 -22.263 1.00 5.34 H new ATOM 0 HA LEU A 8 10.920 3.325 -24.048 1.00 73.00 H new ATOM 0 HB2 LEU A 8 11.656 5.775 -24.366 1.00 4.32 H new ATOM 0 HB3 LEU A 8 13.257 5.142 -24.690 1.00 4.32 H new ATOM 0 HG LEU A 8 12.375 3.865 -26.608 1.00 13.22 H new ATOM 0 HD11 LEU A 8 10.088 4.302 -27.414 1.00 61.12 H new ATOM 0 HD12 LEU A 8 10.087 3.523 -25.813 1.00 61.12 H new ATOM 0 HD13 LEU A 8 9.763 5.268 -25.954 1.00 61.12 H new ATOM 0 HD21 LEU A 8 11.937 5.798 -28.073 1.00 53.24 H new ATOM 0 HD22 LEU A 8 11.683 6.821 -26.639 1.00 53.24 H new ATOM 0 HD23 LEU A 8 13.284 6.110 -26.953 1.00 53.24 H new ATOM 152 N THR A 9 13.695 2.284 -23.028 1.00 51.14 N ATOM 153 CA THR A 9 14.712 1.245 -23.127 1.00 41.10 C ATOM 154 C THR A 9 14.240 -0.050 -22.475 1.00 44.33 C ATOM 155 O THR A 9 15.048 -0.907 -22.120 1.00 31.05 O ATOM 156 CB THR A 9 16.032 1.687 -22.468 1.00 23.01 C ATOM 157 OG1 THR A 9 16.168 3.110 -22.549 1.00 1.20 O ATOM 158 CG2 THR A 9 17.223 1.020 -23.140 1.00 73.22 C ATOM 0 H THR A 9 13.624 2.718 -22.108 1.00 51.14 H new ATOM 0 HA THR A 9 14.885 1.072 -24.189 1.00 41.10 H new ATOM 0 HB THR A 9 16.009 1.384 -21.421 1.00 23.01 H new ATOM 0 HG1 THR A 9 17.009 3.383 -22.126 1.00 1.20 H new ATOM 0 HG21 THR A 9 18.144 1.348 -22.657 1.00 73.22 H new ATOM 0 HG22 THR A 9 17.132 -0.063 -23.051 1.00 73.22 H new ATOM 0 HG23 THR A 9 17.248 1.296 -24.194 1.00 73.22 H new ATOM 166 N GLY A 10 12.927 -0.186 -22.322 1.00 54.42 N ATOM 167 CA GLY A 10 12.370 -1.380 -21.714 1.00 3.24 C ATOM 168 C GLY A 10 12.793 -1.544 -20.267 1.00 55.01 C ATOM 169 O GLY A 10 12.653 -2.623 -19.690 1.00 1.40 O ATOM 0 H GLY A 10 12.238 0.510 -22.608 1.00 54.42 H new ATOM 0 HA2 GLY A 10 11.282 -1.339 -21.769 1.00 3.24 H new ATOM 0 HA3 GLY A 10 12.685 -2.255 -22.283 1.00 3.24 H new ATOM 173 N LYS A 11 13.312 -0.472 -19.679 1.00 3.11 N ATOM 174 CA LYS A 11 13.757 -0.500 -18.291 1.00 24.53 C ATOM 175 C LYS A 11 12.671 0.029 -17.360 1.00 41.20 C ATOM 176 O LYS A 11 12.050 1.057 -17.634 1.00 62.23 O ATOM 177 CB LYS A 11 15.034 0.328 -18.126 1.00 34.33 C ATOM 178 CG LYS A 11 16.285 -0.513 -17.943 1.00 61.41 C ATOM 179 CD LYS A 11 16.777 -0.477 -16.506 1.00 34.22 C ATOM 180 CE LYS A 11 18.120 0.227 -16.394 1.00 11.54 C ATOM 181 NZ LYS A 11 17.964 1.704 -16.278 1.00 72.12 N ATOM 0 H LYS A 11 13.435 0.428 -20.143 1.00 3.11 H new ATOM 0 HA LYS A 11 13.966 -1.536 -18.024 1.00 24.53 H new ATOM 0 HB2 LYS A 11 15.160 0.965 -19.002 1.00 34.33 H new ATOM 0 HB3 LYS A 11 14.921 0.987 -17.266 1.00 34.33 H new ATOM 0 HG2 LYS A 11 16.077 -1.543 -18.231 1.00 61.41 H new ATOM 0 HG3 LYS A 11 17.070 -0.149 -18.606 1.00 61.41 H new ATOM 0 HD2 LYS A 11 16.044 0.034 -15.882 1.00 34.22 H new ATOM 0 HD3 LYS A 11 16.866 -1.494 -16.125 1.00 34.22 H new ATOM 0 HE2 LYS A 11 18.657 -0.151 -15.524 1.00 11.54 H new ATOM 0 HE3 LYS A 11 18.727 -0.007 -17.269 1.00 11.54 H new ATOM 0 HZ1 LYS A 11 18.896 2.159 -16.357 1.00 72.12 H new ATOM 0 HZ2 LYS A 11 17.345 2.049 -17.039 1.00 72.12 H new ATOM 0 HZ3 LYS A 11 17.542 1.937 -15.356 1.00 72.12 H new ATOM 195 N THR A 12 12.447 -0.678 -16.257 1.00 13.13 N ATOM 196 CA THR A 12 11.436 -0.279 -15.286 1.00 0.35 C ATOM 197 C THR A 12 12.075 0.125 -13.962 1.00 12.52 C ATOM 198 O THR A 12 12.860 -0.628 -13.386 1.00 4.34 O ATOM 199 CB THR A 12 10.424 -1.412 -15.030 1.00 5.15 C ATOM 200 OG1 THR A 12 10.815 -2.588 -15.746 1.00 61.50 O ATOM 201 CG2 THR A 12 9.025 -0.994 -15.455 1.00 31.21 C ATOM 0 H THR A 12 12.952 -1.530 -16.014 1.00 13.13 H new ATOM 0 HA THR A 12 10.911 0.577 -15.710 1.00 0.35 H new ATOM 0 HB THR A 12 10.413 -1.625 -13.961 1.00 5.15 H new ATOM 0 HG1 THR A 12 10.168 -3.304 -15.577 1.00 61.50 H new ATOM 0 HG21 THR A 12 8.328 -1.810 -15.265 1.00 31.21 H new ATOM 0 HG22 THR A 12 8.719 -0.116 -14.887 1.00 31.21 H new ATOM 0 HG23 THR A 12 9.024 -0.756 -16.519 1.00 31.21 H new ATOM 209 N ILE A 13 11.733 1.317 -13.485 1.00 13.43 N ATOM 210 CA ILE A 13 12.272 1.820 -12.227 1.00 44.15 C ATOM 211 C ILE A 13 11.165 2.041 -11.203 1.00 53.21 C ATOM 212 O ILE A 13 10.034 2.378 -11.557 1.00 2.43 O ATOM 213 CB ILE A 13 13.038 3.140 -12.432 1.00 5.54 C ATOM 214 CG1 ILE A 13 14.079 2.985 -13.543 1.00 0.25 C ATOM 215 CG2 ILE A 13 13.703 3.574 -11.133 1.00 74.41 C ATOM 216 CD1 ILE A 13 15.063 1.863 -13.297 1.00 34.43 C ATOM 0 H ILE A 13 11.085 1.953 -13.950 1.00 13.43 H new ATOM 0 HA ILE A 13 12.962 1.063 -11.854 1.00 44.15 H new ATOM 0 HB ILE A 13 12.328 3.912 -12.730 1.00 5.54 H new ATOM 0 HG12 ILE A 13 13.566 2.807 -14.488 1.00 0.25 H new ATOM 0 HG13 ILE A 13 14.627 3.921 -13.649 1.00 0.25 H new ATOM 0 HG21 ILE A 13 14.241 4.508 -11.294 1.00 74.41 H new ATOM 0 HG22 ILE A 13 12.942 3.720 -10.366 1.00 74.41 H new ATOM 0 HG23 ILE A 13 14.403 2.804 -10.808 1.00 74.41 H new ATOM 0 HD11 ILE A 13 15.771 1.812 -14.124 1.00 34.43 H new ATOM 0 HD12 ILE A 13 15.603 2.050 -12.369 1.00 34.43 H new ATOM 0 HD13 ILE A 13 14.525 0.918 -13.220 1.00 34.43 H new ATOM 228 N THR A 14 11.497 1.851 -9.930 1.00 32.31 N ATOM 229 CA THR A 14 10.531 2.030 -8.853 1.00 61.31 C ATOM 230 C THR A 14 10.871 3.251 -8.007 1.00 41.20 C ATOM 231 O THR A 14 12.028 3.463 -7.640 1.00 33.30 O ATOM 232 CB THR A 14 10.469 0.789 -7.942 1.00 4.20 C ATOM 233 OG1 THR A 14 10.495 -0.403 -8.735 1.00 5.21 O ATOM 234 CG2 THR A 14 9.211 0.808 -7.087 1.00 5.13 C ATOM 0 H THR A 14 12.428 1.573 -9.619 1.00 32.31 H new ATOM 0 HA THR A 14 9.558 2.176 -9.322 1.00 61.31 H new ATOM 0 HB THR A 14 11.337 0.805 -7.283 1.00 4.20 H new ATOM 0 HG1 THR A 14 9.659 -0.478 -9.241 1.00 5.21 H new ATOM 0 HG21 THR A 14 9.189 -0.078 -6.452 1.00 5.13 H new ATOM 0 HG22 THR A 14 9.209 1.702 -6.463 1.00 5.13 H new ATOM 0 HG23 THR A 14 8.333 0.814 -7.732 1.00 5.13 H new ATOM 242 N LEU A 15 9.857 4.053 -7.700 1.00 23.35 N ATOM 243 CA LEU A 15 10.049 5.255 -6.895 1.00 71.50 C ATOM 244 C LEU A 15 8.858 5.487 -5.971 1.00 30.54 C ATOM 245 O LEU A 15 7.835 4.811 -6.079 1.00 65.32 O ATOM 246 CB LEU A 15 10.251 6.471 -7.800 1.00 41.01 C ATOM 247 CG LEU A 15 11.700 6.895 -8.041 1.00 64.43 C ATOM 248 CD1 LEU A 15 11.798 7.793 -9.265 1.00 35.33 C ATOM 249 CD2 LEU A 15 12.261 7.599 -6.815 1.00 24.15 C ATOM 0 H LEU A 15 8.894 3.893 -7.996 1.00 23.35 H new ATOM 0 HA LEU A 15 10.939 5.114 -6.282 1.00 71.50 H new ATOM 0 HB2 LEU A 15 9.790 6.261 -8.765 1.00 41.01 H new ATOM 0 HB3 LEU A 15 9.714 7.315 -7.367 1.00 41.01 H new ATOM 0 HG LEU A 15 12.294 6.000 -8.225 1.00 64.43 H new ATOM 0 HD11 LEU A 15 12.837 8.084 -9.420 1.00 35.33 H new ATOM 0 HD12 LEU A 15 11.437 7.254 -10.141 1.00 35.33 H new ATOM 0 HD13 LEU A 15 11.190 8.685 -9.112 1.00 35.33 H new ATOM 0 HD21 LEU A 15 13.293 7.893 -7.005 1.00 24.15 H new ATOM 0 HD22 LEU A 15 11.664 8.486 -6.600 1.00 24.15 H new ATOM 0 HD23 LEU A 15 12.228 6.923 -5.960 1.00 24.15 H new ATOM 261 N GLU A 16 8.998 6.448 -5.063 1.00 61.12 N ATOM 262 CA GLU A 16 7.933 6.769 -4.121 1.00 54.42 C ATOM 263 C GLU A 16 7.635 8.266 -4.126 1.00 43.21 C ATOM 264 O GLU A 16 8.548 9.092 -4.163 1.00 31.33 O ATOM 265 CB GLU A 16 8.316 6.319 -2.710 1.00 1.20 C ATOM 266 CG GLU A 16 9.651 6.870 -2.237 1.00 70.21 C ATOM 267 CD GLU A 16 10.719 5.799 -2.129 1.00 73.53 C ATOM 268 OE1 GLU A 16 10.949 5.086 -3.129 1.00 13.52 O ATOM 269 OE2 GLU A 16 11.325 5.673 -1.044 1.00 74.14 O ATOM 0 H GLU A 16 9.838 7.017 -4.960 1.00 61.12 H new ATOM 0 HA GLU A 16 7.035 6.236 -4.433 1.00 54.42 H new ATOM 0 HB2 GLU A 16 7.537 6.630 -2.014 1.00 1.20 H new ATOM 0 HB3 GLU A 16 8.351 5.230 -2.682 1.00 1.20 H new ATOM 0 HG2 GLU A 16 9.986 7.643 -2.928 1.00 70.21 H new ATOM 0 HG3 GLU A 16 9.520 7.346 -1.265 1.00 70.21 H new ATOM 276 N VAL A 17 6.351 8.609 -4.089 1.00 64.35 N ATOM 277 CA VAL A 17 5.932 10.005 -4.089 1.00 45.32 C ATOM 278 C VAL A 17 4.653 10.195 -3.282 1.00 2.11 C ATOM 279 O VAL A 17 4.053 9.227 -2.815 1.00 43.33 O ATOM 280 CB VAL A 17 5.704 10.523 -5.522 1.00 0.03 C ATOM 281 CG1 VAL A 17 4.263 10.290 -5.950 1.00 42.43 C ATOM 282 CG2 VAL A 17 6.066 11.997 -5.619 1.00 45.20 C ATOM 0 H VAL A 17 5.583 7.938 -4.059 1.00 64.35 H new ATOM 0 HA VAL A 17 6.737 10.577 -3.628 1.00 45.32 H new ATOM 0 HB VAL A 17 6.353 9.968 -6.199 1.00 0.03 H new ATOM 0 HG11 VAL A 17 4.120 10.662 -6.965 1.00 42.43 H new ATOM 0 HG12 VAL A 17 4.043 9.223 -5.920 1.00 42.43 H new ATOM 0 HG13 VAL A 17 3.592 10.818 -5.272 1.00 42.43 H new ATOM 0 HG21 VAL A 17 5.899 12.346 -6.638 1.00 45.20 H new ATOM 0 HG22 VAL A 17 5.444 12.570 -4.932 1.00 45.20 H new ATOM 0 HG23 VAL A 17 7.115 12.132 -5.357 1.00 45.20 H new ATOM 292 N GLU A 18 4.241 11.449 -3.122 1.00 24.12 N ATOM 293 CA GLU A 18 3.033 11.765 -2.370 1.00 11.13 C ATOM 294 C GLU A 18 2.078 12.613 -3.205 1.00 43.24 C ATOM 295 O GLU A 18 2.452 13.190 -4.227 1.00 23.21 O ATOM 296 CB GLU A 18 3.388 12.502 -1.077 1.00 3.03 C ATOM 297 CG GLU A 18 3.358 11.616 0.157 1.00 62.50 C ATOM 298 CD GLU A 18 2.961 12.372 1.410 1.00 42.34 C ATOM 299 OE1 GLU A 18 1.961 13.118 1.361 1.00 31.00 O ATOM 300 OE2 GLU A 18 3.652 12.218 2.439 1.00 54.00 O ATOM 0 H GLU A 18 4.726 12.262 -3.503 1.00 24.12 H new ATOM 0 HA GLU A 18 2.536 10.827 -2.121 1.00 11.13 H new ATOM 0 HB2 GLU A 18 4.383 12.936 -1.178 1.00 3.03 H new ATOM 0 HB3 GLU A 18 2.692 13.329 -0.937 1.00 3.03 H new ATOM 0 HG2 GLU A 18 2.657 10.797 -0.006 1.00 62.50 H new ATOM 0 HG3 GLU A 18 4.342 11.170 0.303 1.00 62.50 H new ATOM 307 N PRO A 19 0.815 12.691 -2.763 1.00 13.15 N ATOM 308 CA PRO A 19 -0.220 13.466 -3.454 1.00 71.30 C ATOM 309 C PRO A 19 0.013 14.969 -3.348 1.00 62.14 C ATOM 310 O PRO A 19 -0.358 15.729 -4.243 1.00 65.42 O ATOM 311 CB PRO A 19 -1.506 13.072 -2.723 1.00 71.52 C ATOM 312 CG PRO A 19 -1.057 12.652 -1.366 1.00 11.31 C ATOM 313 CD PRO A 19 0.299 12.030 -1.552 1.00 71.43 C ATOM 0 HA PRO A 19 -0.240 13.256 -4.523 1.00 71.30 H new ATOM 0 HB2 PRO A 19 -2.202 13.909 -2.668 1.00 71.52 H new ATOM 0 HB3 PRO A 19 -2.022 12.261 -3.238 1.00 71.52 H new ATOM 0 HG2 PRO A 19 -1.005 13.506 -0.691 1.00 11.31 H new ATOM 0 HG3 PRO A 19 -1.756 11.940 -0.927 1.00 11.31 H new ATOM 0 HD2 PRO A 19 0.944 12.208 -0.691 1.00 71.43 H new ATOM 0 HD3 PRO A 19 0.231 10.950 -1.682 1.00 71.43 H new ATOM 321 N SER A 20 0.630 15.392 -2.250 1.00 23.44 N ATOM 322 CA SER A 20 0.910 16.805 -2.026 1.00 1.12 C ATOM 323 C SER A 20 2.205 17.219 -2.718 1.00 61.22 C ATOM 324 O SER A 20 2.607 18.381 -2.664 1.00 2.14 O ATOM 325 CB SER A 20 1.004 17.097 -0.527 1.00 0.00 C ATOM 326 OG SER A 20 0.335 18.303 -0.199 1.00 64.33 O ATOM 0 H SER A 20 0.946 14.776 -1.501 1.00 23.44 H new ATOM 0 HA SER A 20 0.090 17.384 -2.451 1.00 1.12 H new ATOM 0 HB2 SER A 20 0.568 16.271 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.051 17.166 -0.232 1.00 0.00 H new ATOM 0 HG SER A 20 0.408 18.466 0.765 1.00 64.33 H new ATOM 332 N ASP A 21 2.853 16.259 -3.369 1.00 22.12 N ATOM 333 CA ASP A 21 4.102 16.522 -4.074 1.00 5.13 C ATOM 334 C ASP A 21 3.833 17.051 -5.479 1.00 14.12 C ATOM 335 O ASP A 21 2.876 16.639 -6.136 1.00 41.54 O ATOM 336 CB ASP A 21 4.949 15.250 -4.148 1.00 14.11 C ATOM 337 CG ASP A 21 5.326 14.725 -2.777 1.00 32.22 C ATOM 338 OD1 ASP A 21 4.921 15.346 -1.771 1.00 64.42 O ATOM 339 OD2 ASP A 21 6.025 13.692 -2.709 1.00 54.31 O ATOM 0 H ASP A 21 2.534 15.292 -3.423 1.00 22.12 H new ATOM 0 HA ASP A 21 4.650 17.283 -3.518 1.00 5.13 H new ATOM 0 HB2 ASP A 21 4.398 14.481 -4.689 1.00 14.11 H new ATOM 0 HB3 ASP A 21 5.856 15.453 -4.718 1.00 14.11 H new ATOM 344 N THR A 22 4.681 17.967 -5.934 1.00 5.50 N ATOM 345 CA THR A 22 4.534 18.555 -7.260 1.00 32.34 C ATOM 346 C THR A 22 5.550 17.973 -8.235 1.00 63.41 C ATOM 347 O THR A 22 6.602 17.478 -7.828 1.00 71.43 O ATOM 348 CB THR A 22 4.698 20.086 -7.217 1.00 61.34 C ATOM 349 OG1 THR A 22 6.022 20.425 -6.788 1.00 75.33 O ATOM 350 CG2 THR A 22 3.679 20.714 -6.279 1.00 32.41 C ATOM 0 H THR A 22 5.478 18.319 -5.403 1.00 5.50 H new ATOM 0 HA THR A 22 3.528 18.315 -7.603 1.00 32.34 H new ATOM 0 HB THR A 22 4.531 20.475 -8.221 1.00 61.34 H new ATOM 0 HG1 THR A 22 6.119 21.400 -6.765 1.00 75.33 H new ATOM 0 HG21 THR A 22 3.815 21.795 -6.266 1.00 32.41 H new ATOM 0 HG22 THR A 22 2.673 20.479 -6.625 1.00 32.41 H new ATOM 0 HG23 THR A 22 3.818 20.318 -5.273 1.00 32.41 H new ATOM 358 N ILE A 23 5.231 18.036 -9.523 1.00 74.22 N ATOM 359 CA ILE A 23 6.118 17.516 -10.556 1.00 52.24 C ATOM 360 C ILE A 23 7.512 18.123 -10.440 1.00 20.33 C ATOM 361 O ILE A 23 8.514 17.448 -10.673 1.00 61.13 O ATOM 362 CB ILE A 23 5.565 17.796 -11.966 1.00 52.13 C ATOM 363 CG1 ILE A 23 4.174 17.178 -12.124 1.00 62.24 C ATOM 364 CG2 ILE A 23 6.514 17.255 -13.025 1.00 4.23 C ATOM 365 CD1 ILE A 23 4.149 15.682 -11.901 1.00 20.01 C ATOM 0 H ILE A 23 4.365 18.442 -9.876 1.00 74.22 H new ATOM 0 HA ILE A 23 6.179 16.438 -10.406 1.00 52.24 H new ATOM 0 HB ILE A 23 5.480 18.875 -12.099 1.00 52.13 H new ATOM 0 HG12 ILE A 23 3.492 17.654 -11.420 1.00 62.24 H new ATOM 0 HG13 ILE A 23 3.801 17.394 -13.125 1.00 62.24 H new ATOM 0 HG21 ILE A 23 6.109 17.461 -14.016 1.00 4.23 H new ATOM 0 HG22 ILE A 23 7.486 17.737 -12.923 1.00 4.23 H new ATOM 0 HG23 ILE A 23 6.628 16.179 -12.896 1.00 4.23 H new ATOM 0 HD11 ILE A 23 3.132 15.312 -12.029 1.00 20.01 H new ATOM 0 HD12 ILE A 23 4.806 15.196 -12.622 1.00 20.01 H new ATOM 0 HD13 ILE A 23 4.492 15.459 -10.891 1.00 20.01 H new ATOM 377 N GLU A 24 7.567 19.400 -10.075 1.00 63.12 N ATOM 378 CA GLU A 24 8.839 20.097 -9.927 1.00 25.14 C ATOM 379 C GLU A 24 9.718 19.410 -8.885 1.00 32.21 C ATOM 380 O GLU A 24 10.930 19.292 -9.060 1.00 73.31 O ATOM 381 CB GLU A 24 8.604 21.556 -9.529 1.00 31.51 C ATOM 382 CG GLU A 24 9.821 22.444 -9.726 1.00 14.13 C ATOM 383 CD GLU A 24 9.739 23.730 -8.927 1.00 11.42 C ATOM 384 OE1 GLU A 24 8.751 24.474 -9.101 1.00 10.41 O ATOM 385 OE2 GLU A 24 10.662 23.993 -8.128 1.00 42.22 O ATOM 0 H GLU A 24 6.746 19.972 -9.877 1.00 63.12 H new ATOM 0 HA GLU A 24 9.353 20.068 -10.888 1.00 25.14 H new ATOM 0 HB2 GLU A 24 7.775 21.955 -10.114 1.00 31.51 H new ATOM 0 HB3 GLU A 24 8.302 21.594 -8.482 1.00 31.51 H new ATOM 0 HG2 GLU A 24 10.717 21.896 -9.435 1.00 14.13 H new ATOM 0 HG3 GLU A 24 9.924 22.684 -10.784 1.00 14.13 H new ATOM 392 N ASN A 25 9.096 18.959 -7.800 1.00 63.10 N ATOM 393 CA ASN A 25 9.821 18.285 -6.729 1.00 32.51 C ATOM 394 C ASN A 25 10.376 16.946 -7.206 1.00 74.12 C ATOM 395 O ASN A 25 11.545 16.632 -6.985 1.00 21.35 O ATOM 396 CB ASN A 25 8.905 18.069 -5.523 1.00 33.44 C ATOM 397 CG ASN A 25 9.177 19.057 -4.405 1.00 43.13 C ATOM 398 OD1 ASN A 25 8.439 20.026 -4.225 1.00 23.12 O ATOM 399 ND2 ASN A 25 10.242 18.816 -3.649 1.00 51.21 N ATOM 0 H ASN A 25 8.093 19.048 -7.640 1.00 63.10 H new ATOM 0 HA ASN A 25 10.656 18.920 -6.434 1.00 32.51 H new ATOM 0 HB2 ASN A 25 7.866 18.159 -5.839 1.00 33.44 H new ATOM 0 HB3 ASN A 25 9.037 17.054 -5.147 1.00 33.44 H new ATOM 0 HD21 ASN A 25 10.477 19.447 -2.882 1.00 51.21 H new ATOM 0 HD22 ASN A 25 10.825 18.000 -3.835 1.00 51.21 H new ATOM 406 N VAL A 26 9.528 16.161 -7.864 1.00 20.34 N ATOM 407 CA VAL A 26 9.933 14.856 -8.374 1.00 42.52 C ATOM 408 C VAL A 26 11.145 14.978 -9.292 1.00 32.34 C ATOM 409 O VAL A 26 12.145 14.282 -9.113 1.00 1.40 O ATOM 410 CB VAL A 26 8.787 14.174 -9.144 1.00 13.04 C ATOM 411 CG1 VAL A 26 9.170 12.752 -9.524 1.00 5.14 C ATOM 412 CG2 VAL A 26 7.509 14.188 -8.318 1.00 22.43 C ATOM 0 H VAL A 26 8.557 16.406 -8.056 1.00 20.34 H new ATOM 0 HA VAL A 26 10.194 14.245 -7.510 1.00 42.52 H new ATOM 0 HB VAL A 26 8.606 14.733 -10.062 1.00 13.04 H new ATOM 0 HG11 VAL A 26 8.348 12.287 -10.067 1.00 5.14 H new ATOM 0 HG12 VAL A 26 10.058 12.771 -10.156 1.00 5.14 H new ATOM 0 HG13 VAL A 26 9.379 12.178 -8.621 1.00 5.14 H new ATOM 0 HG21 VAL A 26 6.709 13.702 -8.877 1.00 22.43 H new ATOM 0 HG22 VAL A 26 7.675 13.654 -7.383 1.00 22.43 H new ATOM 0 HG23 VAL A 26 7.227 15.218 -8.102 1.00 22.43 H new ATOM 422 N LYS A 27 11.049 15.866 -10.275 1.00 12.11 N ATOM 423 CA LYS A 27 12.137 16.081 -11.221 1.00 41.41 C ATOM 424 C LYS A 27 13.447 16.359 -10.490 1.00 12.00 C ATOM 425 O LYS A 27 14.501 15.852 -10.872 1.00 41.40 O ATOM 426 CB LYS A 27 11.805 17.247 -12.155 1.00 41.32 C ATOM 427 CG LYS A 27 12.971 17.678 -13.028 1.00 40.40 C ATOM 428 CD LYS A 27 13.589 18.975 -12.532 1.00 61.04 C ATOM 429 CE LYS A 27 15.104 18.872 -12.443 1.00 31.23 C ATOM 430 NZ LYS A 27 15.678 19.910 -11.543 1.00 43.32 N ATOM 0 H LYS A 27 10.228 16.449 -10.437 1.00 12.11 H new ATOM 0 HA LYS A 27 12.256 15.173 -11.811 1.00 41.41 H new ATOM 0 HB2 LYS A 27 10.969 16.963 -12.794 1.00 41.32 H new ATOM 0 HB3 LYS A 27 11.475 18.097 -11.558 1.00 41.32 H new ATOM 0 HG2 LYS A 27 13.728 16.894 -13.039 1.00 40.40 H new ATOM 0 HG3 LYS A 27 12.630 17.806 -14.055 1.00 40.40 H new ATOM 0 HD2 LYS A 27 13.317 19.789 -13.204 1.00 61.04 H new ATOM 0 HD3 LYS A 27 13.182 19.222 -11.552 1.00 61.04 H new ATOM 0 HE2 LYS A 27 15.380 17.882 -12.079 1.00 31.23 H new ATOM 0 HE3 LYS A 27 15.534 18.977 -13.439 1.00 31.23 H new ATOM 0 HZ1 LYS A 27 16.583 19.573 -11.158 1.00 43.32 H new ATOM 0 HZ2 LYS A 27 15.835 20.787 -12.080 1.00 43.32 H new ATOM 0 HZ3 LYS A 27 15.017 20.096 -10.762 1.00 43.32 H new ATOM 444 N ALA A 28 13.372 17.165 -9.436 1.00 55.53 N ATOM 445 CA ALA A 28 14.550 17.507 -8.650 1.00 44.11 C ATOM 446 C ALA A 28 15.210 16.257 -8.078 1.00 33.23 C ATOM 447 O ALA A 28 16.435 16.174 -7.988 1.00 72.31 O ATOM 448 CB ALA A 28 14.178 18.469 -7.532 1.00 3.05 C ATOM 0 H ALA A 28 12.507 17.593 -9.107 1.00 55.53 H new ATOM 0 HA ALA A 28 15.267 17.995 -9.310 1.00 44.11 H new ATOM 0 HB1 ALA A 28 15.068 18.716 -6.953 1.00 3.05 H new ATOM 0 HB2 ALA A 28 13.760 19.380 -7.960 1.00 3.05 H new ATOM 0 HB3 ALA A 28 13.439 18.002 -6.881 1.00 3.05 H new ATOM 454 N LYS A 29 14.390 15.286 -7.690 1.00 74.24 N ATOM 455 CA LYS A 29 14.892 14.039 -7.127 1.00 22.45 C ATOM 456 C LYS A 29 15.728 13.277 -8.150 1.00 21.41 C ATOM 457 O LYS A 29 16.761 12.697 -7.813 1.00 71.33 O ATOM 458 CB LYS A 29 13.729 13.165 -6.650 1.00 4.20 C ATOM 459 CG LYS A 29 13.840 12.746 -5.194 1.00 43.03 C ATOM 460 CD LYS A 29 12.809 13.453 -4.330 1.00 64.24 C ATOM 461 CE LYS A 29 13.446 14.068 -3.093 1.00 60.25 C ATOM 462 NZ LYS A 29 14.316 15.227 -3.436 1.00 13.24 N ATOM 0 H LYS A 29 13.374 15.339 -7.755 1.00 74.24 H new ATOM 0 HA LYS A 29 15.527 14.284 -6.276 1.00 22.45 H new ATOM 0 HB2 LYS A 29 12.795 13.708 -6.793 1.00 4.20 H new ATOM 0 HB3 LYS A 29 13.677 12.272 -7.273 1.00 4.20 H new ATOM 0 HG2 LYS A 29 13.705 11.667 -5.114 1.00 43.03 H new ATOM 0 HG3 LYS A 29 14.841 12.971 -4.825 1.00 43.03 H new ATOM 0 HD2 LYS A 29 12.317 14.232 -4.913 1.00 64.24 H new ATOM 0 HD3 LYS A 29 12.037 12.744 -4.029 1.00 64.24 H new ATOM 0 HE2 LYS A 29 12.665 14.391 -2.405 1.00 60.25 H new ATOM 0 HE3 LYS A 29 14.036 13.312 -2.574 1.00 60.25 H new ATOM 0 HZ1 LYS A 29 14.554 15.751 -2.570 1.00 13.24 H new ATOM 0 HZ2 LYS A 29 15.190 14.885 -3.884 1.00 13.24 H new ATOM 0 HZ3 LYS A 29 13.813 15.856 -4.094 1.00 13.24 H new ATOM 476 N ILE A 30 15.276 13.283 -9.399 1.00 52.33 N ATOM 477 CA ILE A 30 15.984 12.595 -10.471 1.00 70.22 C ATOM 478 C ILE A 30 17.335 13.247 -10.745 1.00 52.13 C ATOM 479 O ILE A 30 18.325 12.562 -10.998 1.00 25.04 O ATOM 480 CB ILE A 30 15.160 12.581 -11.772 1.00 71.22 C ATOM 481 CG1 ILE A 30 13.991 11.601 -11.651 1.00 21.23 C ATOM 482 CG2 ILE A 30 16.044 12.215 -12.955 1.00 51.32 C ATOM 483 CD1 ILE A 30 12.775 12.192 -10.972 1.00 23.42 C ATOM 0 H ILE A 30 14.422 13.757 -9.694 1.00 52.33 H new ATOM 0 HA ILE A 30 16.139 11.569 -10.138 1.00 70.22 H new ATOM 0 HB ILE A 30 14.757 13.580 -11.940 1.00 71.22 H new ATOM 0 HG12 ILE A 30 13.710 11.258 -12.647 1.00 21.23 H new ATOM 0 HG13 ILE A 30 14.319 10.724 -11.093 1.00 21.23 H new ATOM 0 HG21 ILE A 30 15.447 12.209 -13.867 1.00 51.32 H new ATOM 0 HG22 ILE A 30 16.846 12.947 -13.050 1.00 51.32 H new ATOM 0 HG23 ILE A 30 16.473 11.226 -12.796 1.00 51.32 H new ATOM 0 HD11 ILE A 30 11.986 11.442 -10.921 1.00 23.42 H new ATOM 0 HD12 ILE A 30 13.040 12.509 -9.963 1.00 23.42 H new ATOM 0 HD13 ILE A 30 12.422 13.051 -11.542 1.00 23.42 H new ATOM 495 N GLN A 31 17.366 14.575 -10.692 1.00 63.21 N ATOM 496 CA GLN A 31 18.596 15.319 -10.934 1.00 4.53 C ATOM 497 C GLN A 31 19.619 15.054 -9.833 1.00 74.14 C ATOM 498 O GLN A 31 20.823 15.015 -10.087 1.00 54.43 O ATOM 499 CB GLN A 31 18.301 16.818 -11.021 1.00 65.14 C ATOM 500 CG GLN A 31 19.546 17.674 -11.192 1.00 60.14 C ATOM 501 CD GLN A 31 19.269 19.152 -10.998 1.00 61.31 C ATOM 502 OE1 GLN A 31 18.592 19.549 -10.050 1.00 32.35 O ATOM 503 NE2 GLN A 31 19.793 19.976 -11.898 1.00 20.30 N ATOM 0 H GLN A 31 16.554 15.157 -10.484 1.00 63.21 H new ATOM 0 HA GLN A 31 19.014 14.982 -11.882 1.00 4.53 H new ATOM 0 HB2 GLN A 31 17.628 16.999 -11.859 1.00 65.14 H new ATOM 0 HB3 GLN A 31 17.777 17.130 -10.118 1.00 65.14 H new ATOM 0 HG2 GLN A 31 20.304 17.353 -10.477 1.00 60.14 H new ATOM 0 HG3 GLN A 31 19.959 17.513 -12.188 1.00 60.14 H new ATOM 0 HE21 GLN A 31 20.348 19.603 -12.668 1.00 20.30 H new ATOM 0 HE22 GLN A 31 19.640 20.981 -11.819 1.00 20.30 H new ATOM 512 N ASP A 32 19.131 14.872 -8.611 1.00 72.13 N ATOM 513 CA ASP A 32 20.002 14.609 -7.472 1.00 0.44 C ATOM 514 C ASP A 32 20.539 13.182 -7.515 1.00 52.23 C ATOM 515 O ASP A 32 21.427 12.817 -6.745 1.00 1.31 O ATOM 516 CB ASP A 32 19.248 14.844 -6.162 1.00 3.24 C ATOM 517 CG ASP A 32 20.181 15.115 -4.998 1.00 1.34 C ATOM 518 OD1 ASP A 32 20.724 16.237 -4.922 1.00 14.34 O ATOM 519 OD2 ASP A 32 20.369 14.205 -4.163 1.00 42.22 O ATOM 0 H ASP A 32 18.137 14.902 -8.384 1.00 72.13 H new ATOM 0 HA ASP A 32 20.846 15.297 -7.526 1.00 0.44 H new ATOM 0 HB2 ASP A 32 18.569 15.688 -6.283 1.00 3.24 H new ATOM 0 HB3 ASP A 32 18.635 13.971 -5.937 1.00 3.24 H new ATOM 524 N LYS A 33 19.993 12.378 -8.421 1.00 71.31 N ATOM 525 CA LYS A 33 20.416 10.990 -8.567 1.00 31.04 C ATOM 526 C LYS A 33 21.262 10.808 -9.822 1.00 45.03 C ATOM 527 O LYS A 33 22.300 10.147 -9.791 1.00 74.45 O ATOM 528 CB LYS A 33 19.197 10.067 -8.622 1.00 74.25 C ATOM 529 CG LYS A 33 19.470 8.666 -8.103 1.00 30.00 C ATOM 530 CD LYS A 33 18.291 7.740 -8.350 1.00 30.22 C ATOM 531 CE LYS A 33 18.304 6.555 -7.396 1.00 72.11 C ATOM 532 NZ LYS A 33 17.773 6.918 -6.053 1.00 3.21 N ATOM 0 H LYS A 33 19.256 12.664 -9.066 1.00 71.31 H new ATOM 0 HA LYS A 33 21.023 10.728 -7.700 1.00 31.04 H new ATOM 0 HB2 LYS A 33 18.390 10.510 -8.039 1.00 74.25 H new ATOM 0 HB3 LYS A 33 18.847 10.002 -9.652 1.00 74.25 H new ATOM 0 HG2 LYS A 33 20.358 8.263 -8.590 1.00 30.00 H new ATOM 0 HG3 LYS A 33 19.683 8.708 -7.035 1.00 30.00 H new ATOM 0 HD2 LYS A 33 17.360 8.294 -8.231 1.00 30.22 H new ATOM 0 HD3 LYS A 33 18.318 7.381 -9.379 1.00 30.22 H new ATOM 0 HE2 LYS A 33 17.708 5.745 -7.815 1.00 72.11 H new ATOM 0 HE3 LYS A 33 19.323 6.181 -7.295 1.00 72.11 H new ATOM 0 HZ1 LYS A 33 17.799 6.084 -5.432 1.00 3.21 H new ATOM 0 HZ2 LYS A 33 18.357 7.674 -5.641 1.00 3.21 H new ATOM 0 HZ3 LYS A 33 16.792 7.250 -6.146 1.00 3.21 H new ATOM 546 N GLU A 34 20.813 11.400 -10.924 1.00 43.45 N ATOM 547 CA GLU A 34 21.531 11.303 -12.190 1.00 3.11 C ATOM 548 C GLU A 34 21.899 12.688 -12.715 1.00 12.02 C ATOM 549 O GLU A 34 22.941 12.869 -13.343 1.00 0.42 O ATOM 550 CB GLU A 34 20.685 10.561 -13.226 1.00 72.03 C ATOM 551 CG GLU A 34 21.164 9.146 -13.503 1.00 31.21 C ATOM 552 CD GLU A 34 20.544 8.127 -12.567 1.00 21.43 C ATOM 553 OE1 GLU A 34 19.359 8.292 -12.209 1.00 4.10 O ATOM 554 OE2 GLU A 34 21.245 7.163 -12.192 1.00 72.12 O ATOM 0 H GLU A 34 19.956 11.952 -10.966 1.00 43.45 H new ATOM 0 HA GLU A 34 22.450 10.744 -12.015 1.00 3.11 H new ATOM 0 HB2 GLU A 34 19.652 10.525 -12.880 1.00 72.03 H new ATOM 0 HB3 GLU A 34 20.689 11.126 -14.158 1.00 72.03 H new ATOM 0 HG2 GLU A 34 20.925 8.881 -14.533 1.00 31.21 H new ATOM 0 HG3 GLU A 34 22.249 9.108 -13.408 1.00 31.21 H new ATOM 561 N GLY A 35 21.033 13.663 -12.453 1.00 24.15 N ATOM 562 CA GLY A 35 21.284 15.019 -12.906 1.00 35.42 C ATOM 563 C GLY A 35 20.725 15.279 -14.290 1.00 55.35 C ATOM 564 O GLY A 35 21.188 16.176 -14.995 1.00 42.33 O ATOM 0 H GLY A 35 20.163 13.538 -11.936 1.00 24.15 H new ATOM 0 HA2 GLY A 35 20.842 15.722 -12.201 1.00 35.42 H new ATOM 0 HA3 GLY A 35 22.358 15.205 -12.910 1.00 35.42 H new ATOM 568 N ILE A 36 19.727 14.493 -14.682 1.00 3.31 N ATOM 569 CA ILE A 36 19.106 14.644 -15.992 1.00 34.34 C ATOM 570 C ILE A 36 18.470 16.022 -16.144 1.00 23.45 C ATOM 571 O ILE A 36 17.758 16.504 -15.263 1.00 55.44 O ATOM 572 CB ILE A 36 18.032 13.566 -16.232 1.00 53.31 C ATOM 573 CG1 ILE A 36 18.623 12.171 -16.022 1.00 75.55 C ATOM 574 CG2 ILE A 36 17.454 13.698 -17.633 1.00 71.13 C ATOM 575 CD1 ILE A 36 17.581 11.075 -15.970 1.00 52.03 C ATOM 0 H ILE A 36 19.332 13.746 -14.111 1.00 3.31 H new ATOM 0 HA ILE A 36 19.898 14.529 -16.732 1.00 34.34 H new ATOM 0 HB ILE A 36 17.226 13.710 -15.513 1.00 53.31 H new ATOM 0 HG12 ILE A 36 19.324 11.957 -16.829 1.00 75.55 H new ATOM 0 HG13 ILE A 36 19.194 12.163 -15.093 1.00 75.55 H new ATOM 0 HG21 ILE A 36 16.697 12.930 -17.788 1.00 71.13 H new ATOM 0 HG22 ILE A 36 17.001 14.683 -17.748 1.00 71.13 H new ATOM 0 HG23 ILE A 36 18.250 13.576 -18.368 1.00 71.13 H new ATOM 0 HD11 ILE A 36 18.072 10.113 -15.819 1.00 52.03 H new ATOM 0 HD12 ILE A 36 16.894 11.265 -15.146 1.00 52.03 H new ATOM 0 HD13 ILE A 36 17.026 11.056 -16.908 1.00 52.03 H new ATOM 587 N PRO A 37 18.732 16.671 -17.288 1.00 31.23 N ATOM 588 CA PRO A 37 18.193 18.002 -17.584 1.00 22.33 C ATOM 589 C PRO A 37 16.688 17.977 -17.827 1.00 62.25 C ATOM 590 O PRO A 37 16.183 17.232 -18.667 1.00 63.35 O ATOM 591 CB PRO A 37 18.935 18.409 -18.859 1.00 71.13 C ATOM 592 CG PRO A 37 19.314 17.121 -19.504 1.00 65.24 C ATOM 593 CD PRO A 37 19.573 16.155 -18.381 1.00 2.52 C ATOM 0 HA PRO A 37 18.334 18.694 -16.753 1.00 22.33 H new ATOM 0 HB2 PRO A 37 18.300 19.007 -19.513 1.00 71.13 H new ATOM 0 HB3 PRO A 37 19.814 19.011 -18.630 1.00 71.13 H new ATOM 0 HG2 PRO A 37 18.516 16.760 -20.153 1.00 65.24 H new ATOM 0 HG3 PRO A 37 20.201 17.242 -20.126 1.00 65.24 H new ATOM 0 HD2 PRO A 37 19.296 15.137 -18.655 1.00 2.52 H new ATOM 0 HD3 PRO A 37 20.627 16.135 -18.103 1.00 2.52 H new ATOM 601 N PRO A 38 15.953 18.810 -17.077 1.00 55.41 N ATOM 602 CA PRO A 38 14.494 18.903 -17.195 1.00 3.12 C ATOM 603 C PRO A 38 14.058 19.543 -18.508 1.00 42.51 C ATOM 604 O PRO A 38 12.925 19.360 -18.953 1.00 41.00 O ATOM 605 CB PRO A 38 14.098 19.789 -16.011 1.00 25.33 C ATOM 606 CG PRO A 38 15.312 20.604 -15.725 1.00 41.12 C ATOM 607 CD PRO A 38 16.488 19.727 -16.056 1.00 73.04 C ATOM 0 HA PRO A 38 14.021 17.921 -17.187 1.00 3.12 H new ATOM 0 HB2 PRO A 38 13.245 20.422 -16.258 1.00 25.33 H new ATOM 0 HB3 PRO A 38 13.811 19.190 -15.147 1.00 25.33 H new ATOM 0 HG2 PRO A 38 15.322 21.513 -16.326 1.00 41.12 H new ATOM 0 HG3 PRO A 38 15.337 20.913 -14.680 1.00 41.12 H new ATOM 0 HD2 PRO A 38 17.328 20.308 -16.438 1.00 73.04 H new ATOM 0 HD3 PRO A 38 16.846 19.187 -15.179 1.00 73.04 H new ATOM 615 N ASP A 39 14.964 20.295 -19.124 1.00 64.41 N ATOM 616 CA ASP A 39 14.673 20.961 -20.388 1.00 45.21 C ATOM 617 C ASP A 39 14.687 19.965 -21.544 1.00 1.35 C ATOM 618 O ASP A 39 14.125 20.226 -22.606 1.00 54.54 O ATOM 619 CB ASP A 39 15.689 22.076 -20.647 1.00 34.40 C ATOM 620 CG ASP A 39 15.027 23.423 -20.859 1.00 4.32 C ATOM 621 OD1 ASP A 39 14.751 24.113 -19.855 1.00 42.40 O ATOM 622 OD2 ASP A 39 14.787 23.788 -22.028 1.00 40.44 O ATOM 0 H ASP A 39 15.906 20.458 -18.768 1.00 64.41 H new ATOM 0 HA ASP A 39 13.676 21.396 -20.320 1.00 45.21 H new ATOM 0 HB2 ASP A 39 16.376 22.141 -19.803 1.00 34.40 H new ATOM 0 HB3 ASP A 39 16.284 21.825 -21.525 1.00 34.40 H new ATOM 627 N GLN A 40 15.334 18.825 -21.327 1.00 61.42 N ATOM 628 CA GLN A 40 15.422 17.791 -22.352 1.00 25.12 C ATOM 629 C GLN A 40 14.585 16.575 -21.972 1.00 34.43 C ATOM 630 O GLN A 40 14.436 15.642 -22.760 1.00 75.33 O ATOM 631 CB GLN A 40 16.879 17.376 -22.563 1.00 25.42 C ATOM 632 CG GLN A 40 17.593 18.183 -23.636 1.00 31.54 C ATOM 633 CD GLN A 40 17.817 19.625 -23.228 1.00 52.52 C ATOM 634 OE1 GLN A 40 18.657 19.919 -22.377 1.00 42.25 O ATOM 635 NE2 GLN A 40 17.064 20.536 -23.835 1.00 63.21 N ATOM 0 H GLN A 40 15.805 18.594 -20.452 1.00 61.42 H new ATOM 0 HA GLN A 40 15.030 18.202 -23.282 1.00 25.12 H new ATOM 0 HB2 GLN A 40 17.418 17.482 -21.622 1.00 25.42 H new ATOM 0 HB3 GLN A 40 16.912 16.320 -22.832 1.00 25.42 H new ATOM 0 HG2 GLN A 40 18.554 17.718 -23.856 1.00 31.54 H new ATOM 0 HG3 GLN A 40 17.008 18.156 -24.555 1.00 31.54 H new ATOM 0 HE21 GLN A 40 16.380 20.248 -24.535 1.00 63.21 H new ATOM 0 HE22 GLN A 40 17.170 21.523 -23.601 1.00 63.21 H new ATOM 644 N GLN A 41 14.041 16.592 -20.759 1.00 52.41 N ATOM 645 CA GLN A 41 13.219 15.490 -20.275 1.00 32.32 C ATOM 646 C GLN A 41 11.740 15.860 -20.303 1.00 74.14 C ATOM 647 O GLN A 41 11.338 16.894 -19.770 1.00 2.23 O ATOM 648 CB GLN A 41 13.633 15.103 -18.854 1.00 14.22 C ATOM 649 CG GLN A 41 13.447 13.626 -18.547 1.00 30.04 C ATOM 650 CD GLN A 41 13.197 13.363 -17.075 1.00 34.12 C ATOM 651 OE1 GLN A 41 13.976 12.675 -16.414 1.00 14.51 O ATOM 652 NE2 GLN A 41 12.105 13.910 -16.553 1.00 1.03 N ATOM 0 H GLN A 41 14.155 17.357 -20.094 1.00 52.41 H new ATOM 0 HA GLN A 41 13.374 14.637 -20.936 1.00 32.32 H new ATOM 0 HB2 GLN A 41 14.680 15.368 -18.705 1.00 14.22 H new ATOM 0 HB3 GLN A 41 13.051 15.689 -18.143 1.00 14.22 H new ATOM 0 HG2 GLN A 41 12.609 13.241 -19.128 1.00 30.04 H new ATOM 0 HG3 GLN A 41 14.334 13.078 -18.865 1.00 30.04 H new ATOM 0 HE21 GLN A 41 11.487 14.473 -17.138 1.00 1.03 H new ATOM 0 HE22 GLN A 41 11.884 13.767 -15.568 1.00 1.03 H new ATOM 661 N ARG A 42 10.934 15.009 -20.930 1.00 33.21 N ATOM 662 CA ARG A 42 9.499 15.248 -21.029 1.00 71.43 C ATOM 663 C ARG A 42 8.711 14.021 -20.579 1.00 61.23 C ATOM 664 O ARG A 42 8.961 12.906 -21.039 1.00 61.24 O ATOM 665 CB ARG A 42 9.119 15.612 -22.466 1.00 24.12 C ATOM 666 CG ARG A 42 9.302 17.086 -22.789 1.00 30.12 C ATOM 667 CD ARG A 42 8.080 17.658 -23.490 1.00 12.23 C ATOM 668 NE ARG A 42 7.759 16.929 -24.714 1.00 4.11 N ATOM 669 CZ ARG A 42 6.948 17.396 -25.657 1.00 3.25 C ATOM 670 NH1 ARG A 42 6.379 18.585 -25.516 1.00 40.33 N ATOM 671 NH2 ARG A 42 6.706 16.673 -26.743 1.00 12.54 N ATOM 0 H ARG A 42 11.250 14.148 -21.377 1.00 33.21 H new ATOM 0 HA ARG A 42 9.249 16.081 -20.372 1.00 71.43 H new ATOM 0 HB2 ARG A 42 9.723 15.020 -23.154 1.00 24.12 H new ATOM 0 HB3 ARG A 42 8.078 15.337 -22.638 1.00 24.12 H new ATOM 0 HG2 ARG A 42 9.488 17.641 -21.869 1.00 30.12 H new ATOM 0 HG3 ARG A 42 10.180 17.215 -23.422 1.00 30.12 H new ATOM 0 HD2 ARG A 42 7.226 17.625 -22.814 1.00 12.23 H new ATOM 0 HD3 ARG A 42 8.257 18.707 -23.729 1.00 12.23 H new ATOM 0 HE ARG A 42 8.181 16.011 -24.853 1.00 4.11 H new ATOM 0 HH11 ARG A 42 6.564 19.143 -24.682 1.00 40.33 H new ATOM 0 HH12 ARG A 42 5.757 18.942 -26.241 1.00 40.33 H new ATOM 0 HH21 ARG A 42 7.143 15.758 -26.854 1.00 12.54 H new ATOM 0 HH22 ARG A 42 6.083 17.032 -27.467 1.00 12.54 H new ATOM 685 N LEU A 43 7.759 14.234 -19.677 1.00 64.43 N ATOM 686 CA LEU A 43 6.935 13.145 -19.164 1.00 13.21 C ATOM 687 C LEU A 43 5.579 13.113 -19.862 1.00 51.31 C ATOM 688 O LEU A 43 4.943 14.151 -20.051 1.00 34.51 O ATOM 689 CB LEU A 43 6.740 13.295 -17.654 1.00 62.10 C ATOM 690 CG LEU A 43 7.109 12.077 -16.806 1.00 1.42 C ATOM 691 CD1 LEU A 43 7.468 12.502 -15.390 1.00 73.12 C ATOM 692 CD2 LEU A 43 5.966 11.072 -16.790 1.00 4.51 C ATOM 0 H LEU A 43 7.539 15.150 -19.286 1.00 64.43 H new ATOM 0 HA LEU A 43 7.450 12.206 -19.367 1.00 13.21 H new ATOM 0 HB2 LEU A 43 7.334 14.143 -17.314 1.00 62.10 H new ATOM 0 HB3 LEU A 43 5.695 13.541 -17.465 1.00 62.10 H new ATOM 0 HG LEU A 43 7.981 11.598 -17.252 1.00 1.42 H new ATOM 0 HD11 LEU A 43 7.728 11.622 -14.801 1.00 73.12 H new ATOM 0 HD12 LEU A 43 8.318 13.183 -15.419 1.00 73.12 H new ATOM 0 HD13 LEU A 43 6.615 13.005 -14.934 1.00 73.12 H new ATOM 0 HD21 LEU A 43 6.246 10.212 -16.182 1.00 4.51 H new ATOM 0 HD22 LEU A 43 5.076 11.540 -16.369 1.00 4.51 H new ATOM 0 HD23 LEU A 43 5.756 10.744 -17.808 1.00 4.51 H new ATOM 704 N ILE A 44 5.142 11.917 -20.241 1.00 64.00 N ATOM 705 CA ILE A 44 3.861 11.750 -20.915 1.00 13.21 C ATOM 706 C ILE A 44 3.116 10.529 -20.386 1.00 1.34 C ATOM 707 O ILE A 44 3.704 9.464 -20.196 1.00 11.34 O ATOM 708 CB ILE A 44 4.040 11.608 -22.438 1.00 32.21 C ATOM 709 CG1 ILE A 44 4.988 12.686 -22.965 1.00 4.51 C ATOM 710 CG2 ILE A 44 2.693 11.691 -23.140 1.00 35.33 C ATOM 711 CD1 ILE A 44 5.240 12.595 -24.454 1.00 10.03 C ATOM 0 H ILE A 44 5.657 11.049 -20.093 1.00 64.00 H new ATOM 0 HA ILE A 44 3.277 12.647 -20.708 1.00 13.21 H new ATOM 0 HB ILE A 44 4.478 10.632 -22.648 1.00 32.21 H new ATOM 0 HG12 ILE A 44 4.573 13.667 -22.734 1.00 4.51 H new ATOM 0 HG13 ILE A 44 5.939 12.610 -22.439 1.00 4.51 H new ATOM 0 HG21 ILE A 44 2.836 11.589 -24.216 1.00 35.33 H new ATOM 0 HG22 ILE A 44 2.046 10.890 -22.782 1.00 35.33 H new ATOM 0 HG23 ILE A 44 2.230 12.654 -22.926 1.00 35.33 H new ATOM 0 HD11 ILE A 44 5.921 13.390 -24.757 1.00 10.03 H new ATOM 0 HD12 ILE A 44 5.684 11.628 -24.689 1.00 10.03 H new ATOM 0 HD13 ILE A 44 4.297 12.701 -24.990 1.00 10.03 H new ATOM 723 N PHE A 45 1.818 10.691 -20.151 1.00 21.43 N ATOM 724 CA PHE A 45 0.992 9.601 -19.644 1.00 14.31 C ATOM 725 C PHE A 45 -0.488 9.880 -19.893 1.00 22.22 C ATOM 726 O PHE A 45 -0.939 11.021 -19.803 1.00 51.22 O ATOM 727 CB PHE A 45 1.239 9.399 -18.148 1.00 23.53 C ATOM 728 CG PHE A 45 0.286 8.430 -17.508 1.00 50.01 C ATOM 729 CD1 PHE A 45 0.393 7.070 -17.751 1.00 14.02 C ATOM 730 CD2 PHE A 45 -0.716 8.879 -16.664 1.00 15.52 C ATOM 731 CE1 PHE A 45 -0.484 6.177 -17.164 1.00 61.11 C ATOM 732 CE2 PHE A 45 -1.596 7.991 -16.074 1.00 23.01 C ATOM 733 CZ PHE A 45 -1.478 6.638 -16.324 1.00 35.23 C ATOM 0 H PHE A 45 1.316 11.566 -20.303 1.00 21.43 H new ATOM 0 HA PHE A 45 1.268 8.691 -20.177 1.00 14.31 H new ATOM 0 HB2 PHE A 45 2.259 9.044 -18.001 1.00 23.53 H new ATOM 0 HB3 PHE A 45 1.161 10.361 -17.642 1.00 23.53 H new ATOM 0 HD1 PHE A 45 1.170 6.704 -18.406 1.00 14.02 H new ATOM 0 HD2 PHE A 45 -0.811 9.936 -16.464 1.00 15.52 H new ATOM 0 HE1 PHE A 45 -0.392 5.119 -17.362 1.00 61.11 H new ATOM 0 HE2 PHE A 45 -2.374 8.355 -15.419 1.00 23.01 H new ATOM 0 HZ PHE A 45 -2.162 5.941 -15.863 1.00 35.23 H new ATOM 743 N ALA A 46 -1.237 8.828 -20.206 1.00 72.04 N ATOM 744 CA ALA A 46 -2.665 8.958 -20.467 1.00 74.01 C ATOM 745 C ALA A 46 -2.922 9.804 -21.710 1.00 22.04 C ATOM 746 O ALA A 46 -4.024 10.314 -21.909 1.00 23.50 O ATOM 747 CB ALA A 46 -3.369 9.562 -19.261 1.00 33.53 C ATOM 0 H ALA A 46 -0.879 7.876 -20.285 1.00 72.04 H new ATOM 0 HA ALA A 46 -3.068 7.962 -20.648 1.00 74.01 H new ATOM 0 HB1 ALA A 46 -4.435 9.653 -19.470 1.00 33.53 H new ATOM 0 HB2 ALA A 46 -3.223 8.918 -18.394 1.00 33.53 H new ATOM 0 HB3 ALA A 46 -2.954 10.548 -19.054 1.00 33.53 H new ATOM 753 N GLY A 47 -1.896 9.950 -22.543 1.00 1.12 N ATOM 754 CA GLY A 47 -2.031 10.736 -23.755 1.00 71.03 C ATOM 755 C GLY A 47 -1.919 12.225 -23.496 1.00 41.34 C ATOM 756 O GLY A 47 -1.968 13.031 -24.427 1.00 22.55 O ATOM 0 H GLY A 47 -0.974 9.538 -22.400 1.00 1.12 H new ATOM 0 HA2 GLY A 47 -1.262 10.435 -24.467 1.00 71.03 H new ATOM 0 HA3 GLY A 47 -2.995 10.522 -24.217 1.00 71.03 H new ATOM 760 N LYS A 48 -1.770 12.594 -22.229 1.00 4.23 N ATOM 761 CA LYS A 48 -1.651 13.997 -21.848 1.00 62.25 C ATOM 762 C LYS A 48 -0.247 14.305 -21.337 1.00 32.33 C ATOM 763 O LYS A 48 0.308 13.555 -20.535 1.00 24.33 O ATOM 764 CB LYS A 48 -2.684 14.345 -20.775 1.00 33.21 C ATOM 765 CG LYS A 48 -4.110 14.393 -21.296 1.00 52.11 C ATOM 766 CD LYS A 48 -4.400 15.705 -22.006 1.00 72.11 C ATOM 767 CE LYS A 48 -5.816 15.737 -22.561 1.00 40.10 C ATOM 768 NZ LYS A 48 -6.384 17.114 -22.551 1.00 73.54 N ATOM 0 H LYS A 48 -1.729 11.940 -21.447 1.00 4.23 H new ATOM 0 HA LYS A 48 -1.838 14.605 -22.733 1.00 62.25 H new ATOM 0 HB2 LYS A 48 -2.624 13.610 -19.973 1.00 33.21 H new ATOM 0 HB3 LYS A 48 -2.432 15.312 -20.340 1.00 33.21 H new ATOM 0 HG2 LYS A 48 -4.276 13.562 -21.982 1.00 52.11 H new ATOM 0 HG3 LYS A 48 -4.806 14.265 -20.467 1.00 52.11 H new ATOM 0 HD2 LYS A 48 -4.261 16.534 -21.312 1.00 72.11 H new ATOM 0 HD3 LYS A 48 -3.687 15.846 -22.818 1.00 72.11 H new ATOM 0 HE2 LYS A 48 -5.815 15.352 -23.581 1.00 40.10 H new ATOM 0 HE3 LYS A 48 -6.452 15.077 -21.971 1.00 40.10 H new ATOM 0 HZ1 LYS A 48 -7.350 17.094 -22.937 1.00 73.54 H new ATOM 0 HZ2 LYS A 48 -6.408 17.472 -21.575 1.00 73.54 H new ATOM 0 HZ3 LYS A 48 -5.791 17.738 -23.134 1.00 73.54 H new ATOM 782 N GLN A 49 0.319 15.413 -21.805 1.00 34.43 N ATOM 783 CA GLN A 49 1.657 15.819 -21.393 1.00 61.20 C ATOM 784 C GLN A 49 1.645 16.372 -19.972 1.00 50.50 C ATOM 785 O GLN A 49 0.935 17.334 -19.675 1.00 53.11 O ATOM 786 CB GLN A 49 2.214 16.868 -22.357 1.00 72.21 C ATOM 787 CG GLN A 49 1.267 18.031 -22.604 1.00 34.03 C ATOM 788 CD GLN A 49 1.988 19.361 -22.697 1.00 12.23 C ATOM 789 OE1 GLN A 49 2.785 19.710 -21.826 1.00 1.53 O ATOM 790 NE2 GLN A 49 1.711 20.112 -23.756 1.00 62.04 N ATOM 0 H GLN A 49 -0.128 16.045 -22.469 1.00 34.43 H new ATOM 0 HA GLN A 49 2.299 14.939 -21.415 1.00 61.20 H new ATOM 0 HB2 GLN A 49 3.153 17.253 -21.959 1.00 72.21 H new ATOM 0 HB3 GLN A 49 2.444 16.389 -23.309 1.00 72.21 H new ATOM 0 HG2 GLN A 49 0.716 17.856 -23.528 1.00 34.03 H new ATOM 0 HG3 GLN A 49 0.534 18.075 -21.799 1.00 34.03 H new ATOM 0 HE21 GLN A 49 1.044 19.783 -24.454 1.00 62.04 H new ATOM 0 HE22 GLN A 49 2.166 21.018 -23.872 1.00 62.04 H new ATOM 799 N LEU A 50 2.435 15.760 -19.097 1.00 72.11 N ATOM 800 CA LEU A 50 2.515 16.191 -17.706 1.00 10.32 C ATOM 801 C LEU A 50 3.004 17.633 -17.610 1.00 54.00 C ATOM 802 O LEU A 50 4.132 17.942 -17.991 1.00 51.14 O ATOM 803 CB LEU A 50 3.449 15.271 -16.919 1.00 24.31 C ATOM 804 CG LEU A 50 2.814 14.499 -15.762 1.00 74.32 C ATOM 805 CD1 LEU A 50 3.855 13.647 -15.053 1.00 33.31 C ATOM 806 CD2 LEU A 50 2.149 15.456 -14.784 1.00 34.12 C ATOM 0 H LEU A 50 3.029 14.963 -19.326 1.00 72.11 H new ATOM 0 HA LEU A 50 1.515 16.136 -17.277 1.00 10.32 H new ATOM 0 HB2 LEU A 50 3.887 14.552 -17.612 1.00 24.31 H new ATOM 0 HB3 LEU A 50 4.268 15.871 -16.523 1.00 24.31 H new ATOM 0 HG LEU A 50 2.049 13.837 -16.169 1.00 74.32 H new ATOM 0 HD11 LEU A 50 3.384 13.105 -14.233 1.00 33.31 H new ATOM 0 HD12 LEU A 50 4.285 12.936 -15.758 1.00 33.31 H new ATOM 0 HD13 LEU A 50 4.643 14.289 -14.659 1.00 33.31 H new ATOM 0 HD21 LEU A 50 1.702 14.889 -13.967 1.00 34.12 H new ATOM 0 HD22 LEU A 50 2.894 16.143 -14.384 1.00 34.12 H new ATOM 0 HD23 LEU A 50 1.373 16.022 -15.299 1.00 34.12 H new ATOM 818 N GLU A 51 2.147 18.510 -17.096 1.00 52.13 N ATOM 819 CA GLU A 51 2.493 19.919 -16.949 1.00 72.05 C ATOM 820 C GLU A 51 3.186 20.173 -15.614 1.00 23.50 C ATOM 821 O GLU A 51 2.794 19.623 -14.584 1.00 51.15 O ATOM 822 CB GLU A 51 1.239 20.789 -17.059 1.00 10.12 C ATOM 823 CG GLU A 51 1.524 22.215 -17.499 1.00 42.05 C ATOM 824 CD GLU A 51 0.485 23.199 -16.999 1.00 12.20 C ATOM 825 OE1 GLU A 51 -0.618 23.247 -17.583 1.00 44.12 O ATOM 826 OE2 GLU A 51 0.775 23.922 -16.022 1.00 74.52 O ATOM 0 H GLU A 51 1.209 18.270 -16.775 1.00 52.13 H new ATOM 0 HA GLU A 51 3.181 20.183 -17.752 1.00 72.05 H new ATOM 0 HB2 GLU A 51 0.550 20.330 -17.768 1.00 10.12 H new ATOM 0 HB3 GLU A 51 0.736 20.810 -16.092 1.00 10.12 H new ATOM 0 HG2 GLU A 51 2.507 22.514 -17.135 1.00 42.05 H new ATOM 0 HG3 GLU A 51 1.562 22.255 -18.588 1.00 42.05 H new ATOM 833 N ASP A 52 4.219 21.008 -15.640 1.00 21.43 N ATOM 834 CA ASP A 52 4.968 21.335 -14.432 1.00 12.11 C ATOM 835 C ASP A 52 4.070 22.016 -13.404 1.00 33.44 C ATOM 836 O ASP A 52 4.346 21.984 -12.205 1.00 44.43 O ATOM 837 CB ASP A 52 6.153 22.240 -14.771 1.00 1.42 C ATOM 838 CG ASP A 52 5.716 23.601 -15.277 1.00 3.13 C ATOM 839 OD1 ASP A 52 5.366 23.705 -16.471 1.00 4.32 O ATOM 840 OD2 ASP A 52 5.725 24.562 -14.479 1.00 1.11 O ATOM 0 H ASP A 52 4.557 21.471 -16.484 1.00 21.43 H new ATOM 0 HA ASP A 52 5.342 20.405 -14.003 1.00 12.11 H new ATOM 0 HB2 ASP A 52 6.774 22.368 -13.885 1.00 1.42 H new ATOM 0 HB3 ASP A 52 6.772 21.756 -15.527 1.00 1.42 H new ATOM 845 N GLY A 53 2.993 22.632 -13.881 1.00 75.33 N ATOM 846 CA GLY A 53 2.071 23.312 -12.991 1.00 10.35 C ATOM 847 C GLY A 53 1.048 22.371 -12.385 1.00 5.41 C ATOM 848 O GLY A 53 0.128 22.806 -11.692 1.00 42.45 O ATOM 0 H GLY A 53 2.743 22.672 -14.869 1.00 75.33 H new ATOM 0 HA2 GLY A 53 2.633 23.796 -12.192 1.00 10.35 H new ATOM 0 HA3 GLY A 53 1.555 24.099 -13.540 1.00 10.35 H new ATOM 852 N ARG A 54 1.208 21.078 -12.647 1.00 42.31 N ATOM 853 CA ARG A 54 0.290 20.074 -12.125 1.00 75.22 C ATOM 854 C ARG A 54 0.898 19.351 -10.927 1.00 70.31 C ATOM 855 O ARG A 54 2.117 19.335 -10.750 1.00 54.12 O ATOM 856 CB ARG A 54 -0.068 19.063 -13.216 1.00 54.14 C ATOM 857 CG ARG A 54 -1.537 18.670 -13.225 1.00 4.22 C ATOM 858 CD ARG A 54 -2.342 19.544 -14.174 1.00 2.44 C ATOM 859 NE ARG A 54 -2.345 19.016 -15.535 1.00 71.20 N ATOM 860 CZ ARG A 54 -3.100 19.506 -16.512 1.00 33.12 C ATOM 861 NH1 ARG A 54 -3.908 20.531 -16.279 1.00 33.12 N ATOM 862 NH2 ARG A 54 -3.048 18.971 -17.725 1.00 24.21 N ATOM 0 H ARG A 54 1.965 20.701 -13.218 1.00 42.31 H new ATOM 0 HA ARG A 54 -0.617 20.583 -11.798 1.00 75.22 H new ATOM 0 HB2 ARG A 54 0.193 19.482 -14.188 1.00 54.14 H new ATOM 0 HB3 ARG A 54 0.538 18.167 -13.082 1.00 54.14 H new ATOM 0 HG2 ARG A 54 -1.633 17.625 -13.521 1.00 4.22 H new ATOM 0 HG3 ARG A 54 -1.944 18.755 -12.217 1.00 4.22 H new ATOM 0 HD2 ARG A 54 -3.368 19.622 -13.813 1.00 2.44 H new ATOM 0 HD3 ARG A 54 -1.928 20.552 -14.177 1.00 2.44 H new ATOM 0 HE ARG A 54 -1.734 18.228 -15.747 1.00 71.20 H new ATOM 0 HH11 ARG A 54 -3.951 20.945 -15.348 1.00 33.12 H new ATOM 0 HH12 ARG A 54 -4.487 20.905 -17.031 1.00 33.12 H new ATOM 0 HH21 ARG A 54 -2.428 18.182 -17.908 1.00 24.21 H new ATOM 0 HH22 ARG A 54 -3.628 19.348 -18.474 1.00 24.21 H new ATOM 876 N THR A 55 0.041 18.753 -10.105 1.00 72.34 N ATOM 877 CA THR A 55 0.493 18.030 -8.924 1.00 31.55 C ATOM 878 C THR A 55 0.135 16.551 -9.014 1.00 31.54 C ATOM 879 O THR A 55 -0.732 16.157 -9.796 1.00 2.43 O ATOM 880 CB THR A 55 -0.119 18.617 -7.638 1.00 24.35 C ATOM 881 OG1 THR A 55 -1.494 18.234 -7.530 1.00 54.44 O ATOM 882 CG2 THR A 55 -0.006 20.134 -7.629 1.00 34.23 C ATOM 0 H THR A 55 -0.971 18.756 -10.236 1.00 72.34 H new ATOM 0 HA THR A 55 1.577 18.137 -8.884 1.00 31.55 H new ATOM 0 HB THR A 55 0.434 18.223 -6.786 1.00 24.35 H new ATOM 0 HG1 THR A 55 -1.875 18.610 -6.709 1.00 54.44 H new ATOM 0 HG21 THR A 55 -0.445 20.526 -6.711 1.00 34.23 H new ATOM 0 HG22 THR A 55 1.044 20.421 -7.680 1.00 34.23 H new ATOM 0 HG23 THR A 55 -0.537 20.543 -8.489 1.00 34.23 H new ATOM 890 N LEU A 56 0.806 15.734 -8.209 1.00 0.24 N ATOM 891 CA LEU A 56 0.558 14.297 -8.197 1.00 32.32 C ATOM 892 C LEU A 56 -0.918 14.001 -7.950 1.00 30.04 C ATOM 893 O LEU A 56 -1.565 13.315 -8.741 1.00 21.34 O ATOM 894 CB LEU A 56 1.412 13.621 -7.123 1.00 60.40 C ATOM 895 CG LEU A 56 2.748 13.044 -7.593 1.00 3.43 C ATOM 896 CD1 LEU A 56 2.528 11.775 -8.401 1.00 12.11 C ATOM 897 CD2 LEU A 56 3.515 14.073 -8.411 1.00 14.51 C ATOM 0 H LEU A 56 1.526 16.043 -7.556 1.00 0.24 H new ATOM 0 HA LEU A 56 0.831 13.898 -9.174 1.00 32.32 H new ATOM 0 HB2 LEU A 56 1.610 14.347 -6.334 1.00 60.40 H new ATOM 0 HB3 LEU A 56 0.828 12.816 -6.676 1.00 60.40 H new ATOM 0 HG LEU A 56 3.341 12.792 -6.714 1.00 3.43 H new ATOM 0 HD11 LEU A 56 3.490 11.380 -8.726 1.00 12.11 H new ATOM 0 HD12 LEU A 56 2.021 11.034 -7.783 1.00 12.11 H new ATOM 0 HD13 LEU A 56 1.915 12.001 -9.273 1.00 12.11 H new ATOM 0 HD21 LEU A 56 4.463 13.645 -8.737 1.00 14.51 H new ATOM 0 HD22 LEU A 56 2.926 14.357 -9.283 1.00 14.51 H new ATOM 0 HD23 LEU A 56 3.706 14.955 -7.799 1.00 14.51 H new ATOM 909 N SER A 57 -1.445 14.525 -6.848 1.00 2.34 N ATOM 910 CA SER A 57 -2.844 14.316 -6.495 1.00 12.10 C ATOM 911 C SER A 57 -3.763 14.775 -7.623 1.00 12.31 C ATOM 912 O SER A 57 -4.791 14.154 -7.893 1.00 14.24 O ATOM 913 CB SER A 57 -3.185 15.067 -5.206 1.00 72.04 C ATOM 914 OG SER A 57 -4.497 15.600 -5.258 1.00 73.44 O ATOM 0 H SER A 57 -0.924 15.098 -6.184 1.00 2.34 H new ATOM 0 HA SER A 57 -2.997 13.249 -6.336 1.00 12.10 H new ATOM 0 HB2 SER A 57 -3.097 14.393 -4.354 1.00 72.04 H new ATOM 0 HB3 SER A 57 -2.468 15.873 -5.050 1.00 72.04 H new ATOM 0 HG SER A 57 -4.691 16.074 -4.422 1.00 73.44 H new ATOM 920 N ASP A 58 -3.385 15.867 -8.278 1.00 43.12 N ATOM 921 CA ASP A 58 -4.173 16.411 -9.378 1.00 72.30 C ATOM 922 C ASP A 58 -4.211 15.438 -10.552 1.00 62.24 C ATOM 923 O ASP A 58 -5.190 15.386 -11.297 1.00 63.34 O ATOM 924 CB ASP A 58 -3.599 17.754 -9.831 1.00 25.14 C ATOM 925 CG ASP A 58 -4.538 18.504 -10.754 1.00 72.00 C ATOM 926 OD1 ASP A 58 -5.476 19.152 -10.246 1.00 15.32 O ATOM 927 OD2 ASP A 58 -4.336 18.442 -11.985 1.00 61.00 O ATOM 0 H ASP A 58 -2.537 16.393 -8.066 1.00 43.12 H new ATOM 0 HA ASP A 58 -5.192 16.563 -9.022 1.00 72.30 H new ATOM 0 HB2 ASP A 58 -3.387 18.369 -8.956 1.00 25.14 H new ATOM 0 HB3 ASP A 58 -2.650 17.587 -10.341 1.00 25.14 H new ATOM 932 N TYR A 59 -3.139 14.670 -10.712 1.00 62.22 N ATOM 933 CA TYR A 59 -3.048 13.701 -11.798 1.00 45.22 C ATOM 934 C TYR A 59 -3.830 12.434 -11.466 1.00 0.43 C ATOM 935 O TYR A 59 -3.958 11.535 -12.295 1.00 53.23 O ATOM 936 CB TYR A 59 -1.585 13.352 -12.077 1.00 5.14 C ATOM 937 CG TYR A 59 -1.215 13.415 -13.541 1.00 71.04 C ATOM 938 CD1 TYR A 59 -1.496 14.544 -14.301 1.00 61.33 C ATOM 939 CD2 TYR A 59 -0.584 12.346 -14.165 1.00 72.43 C ATOM 940 CE1 TYR A 59 -1.161 14.605 -15.640 1.00 62.00 C ATOM 941 CE2 TYR A 59 -0.244 12.399 -15.503 1.00 71.32 C ATOM 942 CZ TYR A 59 -0.535 13.530 -16.236 1.00 41.24 C ATOM 943 OH TYR A 59 -0.198 13.588 -17.569 1.00 72.14 O ATOM 0 H TYR A 59 -2.321 14.700 -10.104 1.00 62.22 H new ATOM 0 HA TYR A 59 -3.484 14.152 -12.690 1.00 45.22 H new ATOM 0 HB2 TYR A 59 -0.945 14.036 -11.520 1.00 5.14 H new ATOM 0 HB3 TYR A 59 -1.382 12.349 -11.703 1.00 5.14 H new ATOM 0 HD1 TYR A 59 -1.985 15.388 -13.837 1.00 61.33 H new ATOM 0 HD2 TYR A 59 -0.355 11.458 -13.594 1.00 72.43 H new ATOM 0 HE1 TYR A 59 -1.388 15.489 -16.217 1.00 62.00 H new ATOM 0 HE2 TYR A 59 0.247 11.559 -15.972 1.00 71.32 H new ATOM 0 HH TYR A 59 0.237 12.750 -17.833 1.00 72.14 H new ATOM 953 N ASN A 60 -4.352 12.373 -10.245 1.00 22.51 N ATOM 954 CA ASN A 60 -5.122 11.217 -9.801 1.00 32.52 C ATOM 955 C ASN A 60 -4.337 9.926 -10.013 1.00 74.43 C ATOM 956 O ASN A 60 -4.913 8.881 -10.321 1.00 43.20 O ATOM 957 CB ASN A 60 -6.454 11.146 -10.551 1.00 0.32 C ATOM 958 CG ASN A 60 -7.629 10.913 -9.621 1.00 73.44 C ATOM 959 OD1 ASN A 60 -7.892 9.783 -9.207 1.00 54.51 O ATOM 960 ND2 ASN A 60 -8.343 11.982 -9.290 1.00 2.24 N ATOM 0 H ASN A 60 -4.256 13.110 -9.546 1.00 22.51 H new ATOM 0 HA ASN A 60 -5.319 11.331 -8.735 1.00 32.52 H new ATOM 0 HB2 ASN A 60 -6.608 12.074 -11.101 1.00 0.32 H new ATOM 0 HB3 ASN A 60 -6.411 10.343 -11.287 1.00 0.32 H new ATOM 0 HD21 ASN A 60 -9.146 11.886 -8.669 1.00 2.24 H new ATOM 0 HD22 ASN A 60 -8.088 12.899 -9.657 1.00 2.24 H new ATOM 967 N ILE A 61 -3.022 10.005 -9.846 1.00 43.33 N ATOM 968 CA ILE A 61 -2.159 8.843 -10.018 1.00 44.41 C ATOM 969 C ILE A 61 -2.278 7.890 -8.834 1.00 2.11 C ATOM 970 O ILE A 61 -1.744 8.154 -7.757 1.00 31.12 O ATOM 971 CB ILE A 61 -0.684 9.257 -10.184 1.00 32.25 C ATOM 972 CG1 ILE A 61 0.216 8.020 -10.199 1.00 23.14 C ATOM 973 CG2 ILE A 61 -0.272 10.205 -9.068 1.00 2.41 C ATOM 974 CD1 ILE A 61 1.591 8.280 -10.775 1.00 14.04 C ATOM 0 H ILE A 61 -2.530 10.862 -9.592 1.00 43.33 H new ATOM 0 HA ILE A 61 -2.490 8.335 -10.924 1.00 44.41 H new ATOM 0 HB ILE A 61 -0.572 9.777 -11.136 1.00 32.25 H new ATOM 0 HG12 ILE A 61 0.322 7.646 -9.181 1.00 23.14 H new ATOM 0 HG13 ILE A 61 -0.269 7.235 -10.778 1.00 23.14 H new ATOM 0 HG21 ILE A 61 0.772 10.489 -9.199 1.00 2.41 H new ATOM 0 HG22 ILE A 61 -0.897 11.097 -9.099 1.00 2.41 H new ATOM 0 HG23 ILE A 61 -0.396 9.709 -8.105 1.00 2.41 H new ATOM 0 HD11 ILE A 61 2.174 7.359 -10.754 1.00 14.04 H new ATOM 0 HD12 ILE A 61 1.495 8.625 -11.804 1.00 14.04 H new ATOM 0 HD13 ILE A 61 2.096 9.043 -10.182 1.00 14.04 H new ATOM 986 N GLN A 62 -2.980 6.781 -9.042 1.00 62.14 N ATOM 987 CA GLN A 62 -3.168 5.788 -7.992 1.00 23.53 C ATOM 988 C GLN A 62 -1.899 4.967 -7.785 1.00 3.32 C ATOM 989 O GLN A 62 -0.890 5.184 -8.457 1.00 30.22 O ATOM 990 CB GLN A 62 -4.336 4.863 -8.338 1.00 70.10 C ATOM 991 CG GLN A 62 -5.596 5.149 -7.537 1.00 71.32 C ATOM 992 CD GLN A 62 -6.858 5.017 -8.367 1.00 63.43 C ATOM 993 OE1 GLN A 62 -6.982 5.625 -9.430 1.00 43.35 O ATOM 994 NE2 GLN A 62 -7.803 4.218 -7.885 1.00 40.23 N ATOM 0 H GLN A 62 -3.428 6.548 -9.928 1.00 62.14 H new ATOM 0 HA GLN A 62 -3.393 6.315 -7.065 1.00 23.53 H new ATOM 0 HB2 GLN A 62 -4.561 4.958 -9.400 1.00 70.10 H new ATOM 0 HB3 GLN A 62 -4.033 3.830 -8.167 1.00 70.10 H new ATOM 0 HG2 GLN A 62 -5.648 4.463 -6.692 1.00 71.32 H new ATOM 0 HG3 GLN A 62 -5.540 6.157 -7.126 1.00 71.32 H new ATOM 0 HE21 GLN A 62 -7.658 3.733 -6.999 1.00 40.23 H new ATOM 0 HE22 GLN A 62 -8.674 4.089 -8.400 1.00 40.23 H new ATOM 1003 N LYS A 63 -1.955 4.025 -6.850 1.00 74.42 N ATOM 1004 CA LYS A 63 -0.812 3.170 -6.554 1.00 44.13 C ATOM 1005 C LYS A 63 -0.651 2.088 -7.617 1.00 53.14 C ATOM 1006 O LYS A 63 -1.637 1.566 -8.138 1.00 2.44 O ATOM 1007 CB LYS A 63 -0.973 2.526 -5.176 1.00 34.43 C ATOM 1008 CG LYS A 63 -1.982 1.391 -5.150 1.00 34.43 C ATOM 1009 CD LYS A 63 -1.297 0.037 -5.061 1.00 12.34 C ATOM 1010 CE LYS A 63 -2.225 -1.087 -5.494 1.00 52.05 C ATOM 1011 NZ LYS A 63 -2.011 -2.324 -4.693 1.00 11.53 N ATOM 0 H LYS A 63 -2.781 3.834 -6.283 1.00 74.42 H new ATOM 0 HA LYS A 63 0.084 3.791 -6.555 1.00 44.13 H new ATOM 0 HB2 LYS A 63 -0.005 2.149 -4.845 1.00 34.43 H new ATOM 0 HB3 LYS A 63 -1.279 3.290 -4.461 1.00 34.43 H new ATOM 0 HG2 LYS A 63 -2.651 1.518 -4.299 1.00 34.43 H new ATOM 0 HG3 LYS A 63 -2.598 1.430 -6.049 1.00 34.43 H new ATOM 0 HD2 LYS A 63 -0.406 0.037 -5.689 1.00 12.34 H new ATOM 0 HD3 LYS A 63 -0.965 -0.138 -4.037 1.00 12.34 H new ATOM 0 HE2 LYS A 63 -3.261 -0.763 -5.391 1.00 52.05 H new ATOM 0 HE3 LYS A 63 -2.063 -1.305 -6.549 1.00 52.05 H new ATOM 0 HZ1 LYS A 63 -2.663 -3.066 -5.019 1.00 11.53 H new ATOM 0 HZ2 LYS A 63 -1.030 -2.649 -4.811 1.00 11.53 H new ATOM 0 HZ3 LYS A 63 -2.191 -2.123 -3.689 1.00 11.53 H new ATOM 1025 N GLU A 64 0.596 1.755 -7.933 1.00 44.55 N ATOM 1026 CA GLU A 64 0.884 0.735 -8.934 1.00 71.15 C ATOM 1027 C GLU A 64 0.677 1.282 -10.344 1.00 63.20 C ATOM 1028 O GLU A 64 0.433 0.527 -11.285 1.00 33.53 O ATOM 1029 CB GLU A 64 -0.006 -0.491 -8.716 1.00 3.34 C ATOM 1030 CG GLU A 64 0.645 -1.798 -9.135 1.00 42.01 C ATOM 1031 CD GLU A 64 -0.361 -2.917 -9.322 1.00 40.11 C ATOM 1032 OE1 GLU A 64 -1.213 -2.803 -10.229 1.00 4.35 O ATOM 1033 OE2 GLU A 64 -0.297 -3.906 -8.563 1.00 32.03 O ATOM 0 H GLU A 64 1.423 2.177 -7.510 1.00 44.55 H new ATOM 0 HA GLU A 64 1.928 0.442 -8.826 1.00 71.15 H new ATOM 0 HB2 GLU A 64 -0.276 -0.551 -7.662 1.00 3.34 H new ATOM 0 HB3 GLU A 64 -0.933 -0.361 -9.275 1.00 3.34 H new ATOM 0 HG2 GLU A 64 1.191 -1.646 -10.066 1.00 42.01 H new ATOM 0 HG3 GLU A 64 1.376 -2.093 -8.382 1.00 42.01 H new ATOM 1040 N SER A 65 0.777 2.600 -10.481 1.00 51.14 N ATOM 1041 CA SER A 65 0.597 3.250 -11.774 1.00 74.34 C ATOM 1042 C SER A 65 1.889 3.215 -12.585 1.00 33.32 C ATOM 1043 O SER A 65 2.986 3.207 -12.027 1.00 24.35 O ATOM 1044 CB SER A 65 0.141 4.697 -11.582 1.00 53.54 C ATOM 1045 OG SER A 65 1.047 5.413 -10.760 1.00 72.34 O ATOM 0 H SER A 65 0.982 3.239 -9.713 1.00 51.14 H new ATOM 0 HA SER A 65 -0.171 2.705 -12.323 1.00 74.34 H new ATOM 0 HB2 SER A 65 0.060 5.188 -12.552 1.00 53.54 H new ATOM 0 HB3 SER A 65 -0.852 4.712 -11.133 1.00 53.54 H new ATOM 0 HG SER A 65 0.695 5.457 -9.846 1.00 72.34 H new ATOM 1051 N THR A 66 1.750 3.194 -13.907 1.00 24.21 N ATOM 1052 CA THR A 66 2.905 3.158 -14.796 1.00 12.42 C ATOM 1053 C THR A 66 2.938 4.382 -15.704 1.00 15.54 C ATOM 1054 O THR A 66 1.988 4.645 -16.443 1.00 43.23 O ATOM 1055 CB THR A 66 2.905 1.888 -15.666 1.00 71.42 C ATOM 1056 OG1 THR A 66 3.920 1.982 -16.672 1.00 2.45 O ATOM 1057 CG2 THR A 66 1.549 1.683 -16.325 1.00 41.13 C ATOM 0 H THR A 66 0.849 3.201 -14.386 1.00 24.21 H new ATOM 0 HA THR A 66 3.792 3.155 -14.162 1.00 12.42 H new ATOM 0 HB THR A 66 3.111 1.034 -15.021 1.00 71.42 H new ATOM 0 HG1 THR A 66 3.914 1.169 -17.220 1.00 2.45 H new ATOM 0 HG21 THR A 66 1.574 0.780 -16.934 1.00 41.13 H new ATOM 0 HG22 THR A 66 0.783 1.582 -15.557 1.00 41.13 H new ATOM 0 HG23 THR A 66 1.318 2.541 -16.957 1.00 41.13 H new ATOM 1065 N LEU A 67 4.035 5.128 -15.644 1.00 1.43 N ATOM 1066 CA LEU A 67 4.192 6.326 -16.462 1.00 70.10 C ATOM 1067 C LEU A 67 5.298 6.138 -17.495 1.00 40.15 C ATOM 1068 O LEU A 67 6.270 5.421 -17.256 1.00 44.34 O ATOM 1069 CB LEU A 67 4.504 7.534 -15.578 1.00 3.42 C ATOM 1070 CG LEU A 67 3.598 7.728 -14.361 1.00 43.03 C ATOM 1071 CD1 LEU A 67 2.154 7.410 -14.716 1.00 11.15 C ATOM 1072 CD2 LEU A 67 4.069 6.861 -13.203 1.00 35.23 C ATOM 0 H LEU A 67 4.829 4.925 -15.037 1.00 1.43 H new ATOM 0 HA LEU A 67 3.254 6.502 -16.989 1.00 70.10 H new ATOM 0 HB2 LEU A 67 5.533 7.448 -15.229 1.00 3.42 H new ATOM 0 HB3 LEU A 67 4.450 8.432 -16.193 1.00 3.42 H new ATOM 0 HG LEU A 67 3.653 8.772 -14.052 1.00 43.03 H new ATOM 0 HD11 LEU A 67 1.524 7.553 -13.838 1.00 11.15 H new ATOM 0 HD12 LEU A 67 1.821 8.073 -15.514 1.00 11.15 H new ATOM 0 HD13 LEU A 67 2.081 6.375 -15.050 1.00 11.15 H new ATOM 0 HD21 LEU A 67 3.413 7.012 -12.346 1.00 35.23 H new ATOM 0 HD22 LEU A 67 4.044 5.812 -13.500 1.00 35.23 H new ATOM 0 HD23 LEU A 67 5.088 7.137 -12.933 1.00 35.23 H new ATOM 1084 N HIS A 68 5.144 6.789 -18.644 1.00 60.35 N ATOM 1085 CA HIS A 68 6.131 6.696 -19.714 1.00 24.40 C ATOM 1086 C HIS A 68 7.137 7.840 -19.626 1.00 70.31 C ATOM 1087 O HIS A 68 6.775 8.976 -19.319 1.00 52.31 O ATOM 1088 CB HIS A 68 5.440 6.712 -21.078 1.00 2.33 C ATOM 1089 CG HIS A 68 6.292 6.177 -22.187 1.00 73.34 C ATOM 1090 ND1 HIS A 68 6.699 4.861 -22.256 1.00 34.01 N ATOM 1091 CD2 HIS A 68 6.812 6.787 -23.278 1.00 2.24 C ATOM 1092 CE1 HIS A 68 7.434 4.686 -23.339 1.00 71.33 C ATOM 1093 NE2 HIS A 68 7.518 5.839 -23.977 1.00 52.21 N ATOM 0 H HIS A 68 4.345 7.386 -18.858 1.00 60.35 H new ATOM 0 HA HIS A 68 6.667 5.754 -19.599 1.00 24.40 H new ATOM 0 HB2 HIS A 68 4.524 6.124 -21.019 1.00 2.33 H new ATOM 0 HB3 HIS A 68 5.148 7.735 -21.316 1.00 2.33 H new ATOM 0 HD2 HIS A 68 6.694 7.826 -23.548 1.00 2.24 H new ATOM 0 HE1 HIS A 68 7.889 3.757 -23.650 1.00 71.33 H new ATOM 0 HE2 HIS A 68 8.025 5.999 -24.847 1.00 52.21 H new ATOM 1101 N LEU A 69 8.401 7.532 -19.896 1.00 53.14 N ATOM 1102 CA LEU A 69 9.459 8.534 -19.847 1.00 45.42 C ATOM 1103 C LEU A 69 10.224 8.585 -21.166 1.00 75.45 C ATOM 1104 O LEU A 69 11.127 7.783 -21.404 1.00 32.52 O ATOM 1105 CB LEU A 69 10.423 8.231 -18.698 1.00 54.51 C ATOM 1106 CG LEU A 69 11.631 9.160 -18.573 1.00 64.41 C ATOM 1107 CD1 LEU A 69 11.391 10.207 -17.497 1.00 52.43 C ATOM 1108 CD2 LEU A 69 12.889 8.359 -18.269 1.00 2.13 C ATOM 0 H LEU A 69 8.718 6.597 -20.151 1.00 53.14 H new ATOM 0 HA LEU A 69 8.996 9.506 -19.679 1.00 45.42 H new ATOM 0 HB2 LEU A 69 9.864 8.266 -17.763 1.00 54.51 H new ATOM 0 HB3 LEU A 69 10.786 7.210 -18.814 1.00 54.51 H new ATOM 0 HG LEU A 69 11.771 9.673 -19.524 1.00 64.41 H new ATOM 0 HD11 LEU A 69 12.262 10.859 -17.423 1.00 52.43 H new ATOM 0 HD12 LEU A 69 10.514 10.801 -17.756 1.00 52.43 H new ATOM 0 HD13 LEU A 69 11.225 9.713 -16.540 1.00 52.43 H new ATOM 0 HD21 LEU A 69 13.739 9.036 -18.183 1.00 2.13 H new ATOM 0 HD22 LEU A 69 12.759 7.819 -17.331 1.00 2.13 H new ATOM 0 HD23 LEU A 69 13.071 7.648 -19.075 1.00 2.13 H new ATOM 1120 N VAL A 70 9.856 9.534 -22.021 1.00 63.04 N ATOM 1121 CA VAL A 70 10.509 9.692 -23.315 1.00 62.35 C ATOM 1122 C VAL A 70 11.696 10.644 -23.220 1.00 21.32 C ATOM 1123 O VAL A 70 11.757 11.489 -22.326 1.00 45.21 O ATOM 1124 CB VAL A 70 9.527 10.218 -24.379 1.00 44.01 C ATOM 1125 CG1 VAL A 70 9.166 11.669 -24.101 1.00 13.04 C ATOM 1126 CG2 VAL A 70 10.119 10.065 -25.772 1.00 44.40 C ATOM 0 H VAL A 70 9.109 10.205 -21.841 1.00 63.04 H new ATOM 0 HA VAL A 70 10.862 8.705 -23.613 1.00 62.35 H new ATOM 0 HB VAL A 70 8.614 9.625 -24.330 1.00 44.01 H new ATOM 0 HG11 VAL A 70 8.472 12.024 -24.863 1.00 13.04 H new ATOM 0 HG12 VAL A 70 8.698 11.746 -23.119 1.00 13.04 H new ATOM 0 HG13 VAL A 70 10.069 12.279 -24.121 1.00 13.04 H new ATOM 0 HG21 VAL A 70 9.412 10.442 -26.511 1.00 44.40 H new ATOM 0 HG22 VAL A 70 11.048 10.632 -25.837 1.00 44.40 H new ATOM 0 HG23 VAL A 70 10.322 9.012 -25.967 1.00 44.40 H new ATOM 1136 N LEU A 71 12.638 10.501 -24.146 1.00 55.51 N ATOM 1137 CA LEU A 71 13.824 11.350 -24.167 1.00 63.54 C ATOM 1138 C LEU A 71 13.800 12.290 -25.368 1.00 12.54 C ATOM 1139 O LEU A 71 13.379 11.908 -26.460 1.00 2.52 O ATOM 1140 CB LEU A 71 15.089 10.490 -24.205 1.00 20.14 C ATOM 1141 CG LEU A 71 16.414 11.248 -24.290 1.00 10.43 C ATOM 1142 CD1 LEU A 71 16.595 12.144 -23.074 1.00 43.12 C ATOM 1143 CD2 LEU A 71 17.578 10.276 -24.417 1.00 12.35 C ATOM 0 H LEU A 71 12.604 9.806 -24.892 1.00 55.51 H new ATOM 0 HA LEU A 71 13.826 11.951 -23.258 1.00 63.54 H new ATOM 0 HB2 LEU A 71 15.107 9.866 -23.311 1.00 20.14 H new ATOM 0 HB3 LEU A 71 15.022 9.819 -25.061 1.00 20.14 H new ATOM 0 HG LEU A 71 16.394 11.877 -25.180 1.00 10.43 H new ATOM 0 HD11 LEU A 71 17.543 12.676 -23.152 1.00 43.12 H new ATOM 0 HD12 LEU A 71 15.778 12.864 -23.028 1.00 43.12 H new ATOM 0 HD13 LEU A 71 16.593 11.535 -22.170 1.00 43.12 H new ATOM 0 HD21 LEU A 71 18.513 10.834 -24.476 1.00 12.35 H new ATOM 0 HD22 LEU A 71 17.601 9.620 -23.547 1.00 12.35 H new ATOM 0 HD23 LEU A 71 17.455 9.677 -25.319 1.00 12.35 H new ATOM 1155 N ARG A 72 14.255 13.521 -25.158 1.00 2.24 N ATOM 1156 CA ARG A 72 14.286 14.516 -26.222 1.00 42.55 C ATOM 1157 C ARG A 72 15.668 14.581 -26.866 1.00 42.02 C ATOM 1158 O ARG A 72 16.660 14.885 -26.203 1.00 4.14 O ATOM 1159 CB ARG A 72 13.902 15.892 -25.675 1.00 41.31 C ATOM 1160 CG ARG A 72 13.447 16.869 -26.747 1.00 74.11 C ATOM 1161 CD ARG A 72 12.144 16.421 -27.392 1.00 23.22 C ATOM 1162 NE ARG A 72 12.299 16.173 -28.823 1.00 31.44 N ATOM 1163 CZ ARG A 72 12.279 17.132 -29.741 1.00 71.03 C ATOM 1164 NH1 ARG A 72 12.112 18.397 -29.380 1.00 61.32 N ATOM 1165 NH2 ARG A 72 12.426 16.827 -31.024 1.00 64.12 N ATOM 0 H ARG A 72 14.607 13.853 -24.260 1.00 2.24 H new ATOM 0 HA ARG A 72 13.563 14.220 -26.982 1.00 42.55 H new ATOM 0 HB2 ARG A 72 13.104 15.772 -24.942 1.00 41.31 H new ATOM 0 HB3 ARG A 72 14.757 16.316 -25.149 1.00 41.31 H new ATOM 0 HG2 ARG A 72 13.316 17.858 -26.308 1.00 74.11 H new ATOM 0 HG3 ARG A 72 14.220 16.959 -27.510 1.00 74.11 H new ATOM 0 HD2 ARG A 72 11.791 15.513 -26.903 1.00 23.22 H new ATOM 0 HD3 ARG A 72 11.381 17.184 -27.237 1.00 23.22 H new ATOM 0 HE ARG A 72 12.430 15.210 -29.134 1.00 31.44 H new ATOM 0 HH11 ARG A 72 11.998 18.635 -28.395 1.00 61.32 H new ATOM 0 HH12 ARG A 72 12.097 19.132 -30.088 1.00 61.32 H new ATOM 0 HH21 ARG A 72 12.554 15.855 -31.306 1.00 64.12 H new ATOM 0 HH22 ARG A 72 12.410 17.564 -31.729 1.00 64.12 H new ATOM 1179 N LEU A 73 15.726 14.293 -28.162 1.00 33.34 N ATOM 1180 CA LEU A 73 16.986 14.317 -28.896 1.00 1.32 C ATOM 1181 C LEU A 73 17.422 15.751 -29.182 1.00 33.22 C ATOM 1182 O LEU A 73 16.592 16.623 -29.439 1.00 75.33 O ATOM 1183 CB LEU A 73 16.850 13.542 -30.207 1.00 42.15 C ATOM 1184 CG LEU A 73 17.866 12.422 -30.433 1.00 61.14 C ATOM 1185 CD1 LEU A 73 19.273 12.990 -30.538 1.00 52.23 C ATOM 1186 CD2 LEU A 73 17.786 11.395 -29.313 1.00 51.21 C ATOM 0 H LEU A 73 14.915 14.040 -28.726 1.00 33.34 H new ATOM 0 HA LEU A 73 17.748 13.842 -28.278 1.00 1.32 H new ATOM 0 HB2 LEU A 73 15.849 13.112 -30.249 1.00 42.15 H new ATOM 0 HB3 LEU A 73 16.928 14.249 -31.033 1.00 42.15 H new ATOM 0 HG LEU A 73 17.626 11.925 -31.373 1.00 61.14 H new ATOM 0 HD11 LEU A 73 19.982 12.178 -30.699 1.00 52.23 H new ATOM 0 HD12 LEU A 73 19.323 13.686 -31.375 1.00 52.23 H new ATOM 0 HD13 LEU A 73 19.524 13.513 -29.615 1.00 52.23 H new ATOM 0 HD21 LEU A 73 18.516 10.605 -29.491 1.00 51.21 H new ATOM 0 HD22 LEU A 73 17.999 11.879 -28.360 1.00 51.21 H new ATOM 0 HD23 LEU A 73 16.785 10.964 -29.285 1.00 51.21 H new ATOM 1198 N ARG A 74 18.729 15.987 -29.137 1.00 32.33 N ATOM 1199 CA ARG A 74 19.275 17.314 -29.392 1.00 52.21 C ATOM 1200 C ARG A 74 20.184 17.302 -30.618 1.00 34.31 C ATOM 1201 O ARG A 74 21.264 16.714 -30.596 1.00 71.53 O ATOM 1202 CB ARG A 74 20.052 17.812 -28.173 1.00 4.44 C ATOM 1203 CG ARG A 74 21.086 16.821 -27.663 1.00 11.34 C ATOM 1204 CD ARG A 74 22.421 17.497 -27.395 1.00 3.44 C ATOM 1205 NE ARG A 74 23.400 17.211 -28.440 1.00 73.52 N ATOM 1206 CZ ARG A 74 24.116 16.093 -28.490 1.00 74.30 C ATOM 1207 NH1 ARG A 74 23.963 15.162 -27.559 1.00 33.53 N ATOM 1208 NH2 ARG A 74 24.986 15.904 -29.473 1.00 43.34 N ATOM 0 H ARG A 74 19.429 15.276 -28.926 1.00 32.33 H new ATOM 0 HA ARG A 74 18.443 17.991 -29.585 1.00 52.21 H new ATOM 0 HB2 ARG A 74 20.552 18.746 -28.428 1.00 4.44 H new ATOM 0 HB3 ARG A 74 19.349 18.035 -27.371 1.00 4.44 H new ATOM 0 HG2 ARG A 74 20.723 16.354 -26.747 1.00 11.34 H new ATOM 0 HG3 ARG A 74 21.221 16.025 -28.395 1.00 11.34 H new ATOM 0 HD2 ARG A 74 22.273 18.574 -27.322 1.00 3.44 H new ATOM 0 HD3 ARG A 74 22.810 17.163 -26.433 1.00 3.44 H new ATOM 0 HE ARG A 74 23.542 17.908 -29.171 1.00 73.52 H new ATOM 0 HH11 ARG A 74 23.294 15.303 -26.802 1.00 33.53 H new ATOM 0 HH12 ARG A 74 24.514 14.305 -27.600 1.00 33.53 H new ATOM 0 HH21 ARG A 74 25.106 16.618 -30.192 1.00 43.34 H new ATOM 0 HH22 ARG A 74 25.535 15.045 -29.510 1.00 43.34 H new ATOM 1222 N GLY A 75 19.737 17.955 -31.686 1.00 71.04 N ATOM 1223 CA GLY A 75 20.521 18.006 -32.906 1.00 44.12 C ATOM 1224 C GLY A 75 20.018 17.040 -33.960 1.00 52.33 C ATOM 1225 O GLY A 75 19.983 15.831 -33.738 1.00 74.20 O ATOM 0 H GLY A 75 18.846 18.450 -31.728 1.00 71.04 H new ATOM 0 HA2 GLY A 75 20.499 19.020 -33.306 1.00 44.12 H new ATOM 0 HA3 GLY A 75 21.561 17.777 -32.675 1.00 44.12 H new ATOM 1229 N GLY A 76 19.625 17.576 -35.112 1.00 72.33 N ATOM 1230 CA GLY A 76 19.124 16.739 -36.187 1.00 34.44 C ATOM 1231 C GLY A 76 18.799 17.532 -37.437 1.00 10.24 C ATOM 1232 O GLY A 76 18.679 18.754 -37.356 1.00 64.23 O ATOM 0 H GLY A 76 19.645 18.574 -35.320 1.00 72.33 H new ATOM 0 HA2 GLY A 76 19.866 15.978 -36.426 1.00 34.44 H new ATOM 0 HA3 GLY A 76 18.229 16.216 -35.849 1.00 34.44 H new TER 1236 GLY A 76