USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 32 ASN : amide:sc= -4.01! C(o=-5.5!,f=-5.5!) USER MOD Set 1.2: A 69 MET CE :methyl -149:sc= -1.5 (180deg=-1.36!) USER MOD Set 2.1: A 8 SER OG : rot -160:sc= 0.746 USER MOD Set 2.2: A 16 ASN : amide:sc= -0.148 K(o=0.6,f=-0.65) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.141 (180deg=-0.721) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.027) USER MOD Single : A 13 ASN : amide:sc= -0.0859 K(o=-0.086,f=-0.94) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -161:sc= 0.447 USER MOD Single : A 22 ASN : amide:sc= -1.94 K(o=-1.9,f=-6.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= -0.337 (180deg=-1.31) USER MOD Single : A 35 ASN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.0276 (180deg=-0.266) USER MOD Single : A 38 SER OG : rot 180:sc= 0.118 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 49 GLN : amide:sc= -0.344 K(o=-0.34,f=-2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 36:sc= 0.614 USER MOD Single : A 67 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.016) USER MOD Single : A 70 ASN : amide:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD Single : A 73 SER OG : rot -39:sc= -0.0423 USER MOD Single : A 77 ASN : amide:sc= -0.523 K(o=-0.52,f=-1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.739 2.036 -0.342 1.00 51.13 N ATOM 2 CA MET A 1 1.916 0.818 0.440 1.00 71.04 C ATOM 3 C MET A 1 2.813 -0.174 -0.295 1.00 13.25 C ATOM 4 O MET A 1 2.744 -0.302 -1.517 1.00 51.21 O ATOM 5 CB MET A 1 0.560 0.175 0.736 1.00 73.13 C ATOM 6 CG MET A 1 -0.282 -0.068 -0.507 1.00 24.43 C ATOM 7 SD MET A 1 -1.981 -0.526 -0.116 1.00 32.31 S ATOM 8 CE MET A 1 -2.774 -0.270 -1.701 1.00 51.34 C ATOM 0 H1 MET A 1 0.783 2.413 -0.185 1.00 51.13 H new ATOM 0 H2 MET A 1 2.443 2.743 -0.048 1.00 51.13 H new ATOM 0 H3 MET A 1 1.865 1.822 -1.352 1.00 51.13 H new ATOM 0 HA MET A 1 2.396 1.086 1.381 1.00 71.04 H new ATOM 0 HB2 MET A 1 0.721 -0.774 1.247 1.00 73.13 H new ATOM 0 HB3 MET A 1 0.005 0.816 1.421 1.00 73.13 H new ATOM 0 HG2 MET A 1 -0.285 0.833 -1.121 1.00 24.43 H new ATOM 0 HG3 MET A 1 0.175 -0.858 -1.102 1.00 24.43 H new ATOM 0 HE1 MET A 1 -3.834 -0.512 -1.621 1.00 51.34 H new ATOM 0 HE2 MET A 1 -2.661 0.772 -2.000 1.00 51.34 H new ATOM 0 HE3 MET A 1 -2.310 -0.914 -2.448 1.00 51.34 H new ATOM 18 N LYS A 2 3.654 -0.874 0.459 1.00 40.12 N ATOM 19 CA LYS A 2 4.564 -1.855 -0.119 1.00 62.34 C ATOM 20 C LYS A 2 4.317 -3.240 0.470 1.00 30.21 C ATOM 21 O LYS A 2 4.794 -3.556 1.560 1.00 1.03 O ATOM 22 CB LYS A 2 6.017 -1.438 0.122 1.00 32.50 C ATOM 23 CG LYS A 2 6.290 -0.982 1.545 1.00 41.44 C ATOM 24 CD LYS A 2 6.103 0.519 1.694 1.00 63.11 C ATOM 25 CE LYS A 2 6.828 1.051 2.921 1.00 52.43 C ATOM 26 NZ LYS A 2 7.039 2.524 2.845 1.00 62.55 N ATOM 0 H LYS A 2 3.724 -0.780 1.472 1.00 40.12 H new ATOM 0 HA LYS A 2 4.378 -1.898 -1.192 1.00 62.34 H new ATOM 0 HB2 LYS A 2 6.671 -2.277 -0.114 1.00 32.50 H new ATOM 0 HB3 LYS A 2 6.274 -0.631 -0.565 1.00 32.50 H new ATOM 0 HG2 LYS A 2 5.621 -1.503 2.230 1.00 41.44 H new ATOM 0 HG3 LYS A 2 7.308 -1.253 1.826 1.00 41.44 H new ATOM 0 HD2 LYS A 2 6.475 1.024 0.803 1.00 63.11 H new ATOM 0 HD3 LYS A 2 5.040 0.749 1.770 1.00 63.11 H new ATOM 0 HE2 LYS A 2 6.252 0.812 3.815 1.00 52.43 H new ATOM 0 HE3 LYS A 2 7.791 0.551 3.019 1.00 52.43 H new ATOM 0 HZ1 LYS A 2 7.536 2.848 3.699 1.00 62.55 H new ATOM 0 HZ2 LYS A 2 7.610 2.750 2.006 1.00 62.55 H new ATOM 0 HZ3 LYS A 2 6.119 3.003 2.777 1.00 62.55 H new ATOM 40 N PHE A 3 3.570 -4.063 -0.258 1.00 32.41 N ATOM 41 CA PHE A 3 3.260 -5.415 0.193 1.00 31.11 C ATOM 42 C PHE A 3 3.147 -6.371 -0.991 1.00 22.11 C ATOM 43 O PHE A 3 2.499 -6.063 -1.991 1.00 53.13 O ATOM 44 CB PHE A 3 1.957 -5.422 0.994 1.00 15.05 C ATOM 45 CG PHE A 3 0.725 -5.346 0.137 1.00 4.14 C ATOM 46 CD1 PHE A 3 0.143 -6.498 -0.365 1.00 35.33 C ATOM 47 CD2 PHE A 3 0.151 -4.122 -0.166 1.00 32.12 C ATOM 48 CE1 PHE A 3 -0.990 -6.431 -1.154 1.00 42.23 C ATOM 49 CE2 PHE A 3 -0.982 -4.049 -0.955 1.00 1.55 C ATOM 50 CZ PHE A 3 -1.553 -5.205 -1.449 1.00 15.45 C ATOM 0 H PHE A 3 3.168 -3.818 -1.163 1.00 32.41 H new ATOM 0 HA PHE A 3 4.074 -5.753 0.834 1.00 31.11 H new ATOM 0 HB2 PHE A 3 1.915 -6.329 1.596 1.00 15.05 H new ATOM 0 HB3 PHE A 3 1.961 -4.580 1.686 1.00 15.05 H new ATOM 0 HD1 PHE A 3 0.579 -7.459 -0.138 1.00 35.33 H new ATOM 0 HD2 PHE A 3 0.593 -3.215 0.218 1.00 32.12 H new ATOM 0 HE1 PHE A 3 -1.435 -7.337 -1.539 1.00 42.23 H new ATOM 0 HE2 PHE A 3 -1.420 -3.089 -1.185 1.00 1.55 H new ATOM 0 HZ PHE A 3 -2.438 -5.151 -2.065 1.00 15.45 H new ATOM 60 N ILE A 4 3.783 -7.531 -0.869 1.00 63.25 N ATOM 61 CA ILE A 4 3.754 -8.532 -1.929 1.00 23.34 C ATOM 62 C ILE A 4 3.640 -9.939 -1.352 1.00 65.40 C ATOM 63 O ILE A 4 3.998 -10.181 -0.199 1.00 10.11 O ATOM 64 CB ILE A 4 5.012 -8.452 -2.813 1.00 63.44 C ATOM 65 CG1 ILE A 4 5.265 -7.008 -3.249 1.00 3.43 C ATOM 66 CG2 ILE A 4 4.865 -9.359 -4.026 1.00 42.23 C ATOM 67 CD1 ILE A 4 4.245 -6.487 -4.236 1.00 53.43 C ATOM 0 H ILE A 4 4.324 -7.801 -0.048 1.00 63.25 H new ATOM 0 HA ILE A 4 2.877 -8.320 -2.540 1.00 23.34 H new ATOM 0 HB ILE A 4 5.869 -8.791 -2.231 1.00 63.44 H new ATOM 0 HG12 ILE A 4 5.267 -6.366 -2.368 1.00 3.43 H new ATOM 0 HG13 ILE A 4 6.257 -6.940 -3.695 1.00 3.43 H new ATOM 0 HG21 ILE A 4 5.762 -9.292 -4.641 1.00 42.23 H new ATOM 0 HG22 ILE A 4 4.728 -10.389 -3.696 1.00 42.23 H new ATOM 0 HG23 ILE A 4 4.000 -9.047 -4.611 1.00 42.23 H new ATOM 0 HD11 ILE A 4 4.487 -5.458 -4.500 1.00 53.43 H new ATOM 0 HD12 ILE A 4 4.259 -7.105 -5.134 1.00 53.43 H new ATOM 0 HD13 ILE A 4 3.253 -6.522 -3.786 1.00 53.43 H new ATOM 79 N LYS A 5 3.142 -10.866 -2.163 1.00 34.43 N ATOM 80 CA LYS A 5 2.983 -12.252 -1.736 1.00 11.40 C ATOM 81 C LYS A 5 4.336 -12.948 -1.634 1.00 2.23 C ATOM 82 O LYS A 5 5.349 -12.430 -2.106 1.00 33.04 O ATOM 83 CB LYS A 5 2.081 -13.008 -2.714 1.00 11.11 C ATOM 84 CG LYS A 5 2.817 -13.546 -3.929 1.00 1.14 C ATOM 85 CD LYS A 5 3.479 -12.430 -4.719 1.00 52.42 C ATOM 86 CE LYS A 5 3.805 -12.869 -6.138 1.00 62.42 C ATOM 87 NZ LYS A 5 2.909 -12.226 -7.138 1.00 51.12 N ATOM 0 H LYS A 5 2.841 -10.683 -3.120 1.00 34.43 H new ATOM 0 HA LYS A 5 2.519 -12.251 -0.750 1.00 11.40 H new ATOM 0 HB2 LYS A 5 1.607 -13.838 -2.190 1.00 11.11 H new ATOM 0 HB3 LYS A 5 1.284 -12.344 -3.047 1.00 11.11 H new ATOM 0 HG2 LYS A 5 3.572 -14.264 -3.610 1.00 1.14 H new ATOM 0 HG3 LYS A 5 2.118 -14.082 -4.571 1.00 1.14 H new ATOM 0 HD2 LYS A 5 2.820 -11.563 -4.748 1.00 52.42 H new ATOM 0 HD3 LYS A 5 4.393 -12.118 -4.214 1.00 52.42 H new ATOM 0 HE2 LYS A 5 4.841 -12.620 -6.366 1.00 62.42 H new ATOM 0 HE3 LYS A 5 3.714 -13.953 -6.213 1.00 62.42 H new ATOM 0 HZ1 LYS A 5 3.164 -12.551 -8.092 1.00 51.12 H new ATOM 0 HZ2 LYS A 5 1.922 -12.484 -6.936 1.00 51.12 H new ATOM 0 HZ3 LYS A 5 3.014 -11.193 -7.085 1.00 51.12 H new ATOM 101 N TYR A 6 4.346 -14.124 -1.016 1.00 40.13 N ATOM 102 CA TYR A 6 5.575 -14.890 -0.852 1.00 23.43 C ATOM 103 C TYR A 6 5.977 -15.563 -2.161 1.00 21.44 C ATOM 104 O TYR A 6 5.137 -15.821 -3.024 1.00 31.24 O ATOM 105 CB TYR A 6 5.402 -15.944 0.244 1.00 54.32 C ATOM 106 CG TYR A 6 5.174 -15.356 1.618 1.00 21.02 C ATOM 107 CD1 TYR A 6 6.218 -14.778 2.330 1.00 51.11 C ATOM 108 CD2 TYR A 6 3.915 -15.378 2.205 1.00 74.12 C ATOM 109 CE1 TYR A 6 6.015 -14.241 3.586 1.00 15.51 C ATOM 110 CE2 TYR A 6 3.702 -14.842 3.460 1.00 54.20 C ATOM 111 CZ TYR A 6 4.755 -14.275 4.147 1.00 52.42 C ATOM 112 OH TYR A 6 4.548 -13.739 5.397 1.00 31.14 O ATOM 0 H TYR A 6 3.517 -14.567 -0.621 1.00 40.13 H new ATOM 0 HA TYR A 6 6.367 -14.200 -0.561 1.00 23.43 H new ATOM 0 HB2 TYR A 6 4.560 -16.587 -0.011 1.00 54.32 H new ATOM 0 HB3 TYR A 6 6.289 -16.577 0.271 1.00 54.32 H new ATOM 0 HD1 TYR A 6 7.205 -14.748 1.893 1.00 51.11 H new ATOM 0 HD2 TYR A 6 3.088 -15.822 1.671 1.00 74.12 H new ATOM 0 HE1 TYR A 6 6.838 -13.797 4.126 1.00 15.51 H new ATOM 0 HE2 TYR A 6 2.716 -14.867 3.901 1.00 54.20 H new ATOM 0 HH TYR A 6 3.606 -13.843 5.646 1.00 31.14 H new ATOM 122 N LEU A 7 7.268 -15.846 -2.301 1.00 15.11 N ATOM 123 CA LEU A 7 7.783 -16.490 -3.504 1.00 3.00 C ATOM 124 C LEU A 7 8.181 -17.935 -3.220 1.00 75.13 C ATOM 125 O LEU A 7 9.365 -18.267 -3.181 1.00 21.50 O ATOM 126 CB LEU A 7 8.986 -15.715 -4.045 1.00 62.32 C ATOM 127 CG LEU A 7 8.898 -14.191 -3.958 1.00 33.35 C ATOM 128 CD1 LEU A 7 10.146 -13.550 -4.542 1.00 43.45 C ATOM 129 CD2 LEU A 7 7.652 -13.687 -4.672 1.00 22.41 C ATOM 0 H LEU A 7 7.976 -15.640 -1.597 1.00 15.11 H new ATOM 0 HA LEU A 7 6.992 -16.491 -4.254 1.00 3.00 H new ATOM 0 HB2 LEU A 7 9.875 -16.039 -3.503 1.00 62.32 H new ATOM 0 HB3 LEU A 7 9.131 -15.991 -5.089 1.00 62.32 H new ATOM 0 HG LEU A 7 8.829 -13.910 -2.907 1.00 33.35 H new ATOM 0 HD11 LEU A 7 10.065 -12.465 -4.471 1.00 43.45 H new ATOM 0 HD12 LEU A 7 11.022 -13.886 -3.986 1.00 43.45 H new ATOM 0 HD13 LEU A 7 10.248 -13.839 -5.588 1.00 43.45 H new ATOM 0 HD21 LEU A 7 7.606 -12.600 -4.600 1.00 22.41 H new ATOM 0 HD22 LEU A 7 7.690 -13.980 -5.721 1.00 22.41 H new ATOM 0 HD23 LEU A 7 6.766 -14.119 -4.207 1.00 22.41 H new ATOM 141 N SER A 8 7.182 -18.790 -3.025 1.00 60.52 N ATOM 142 CA SER A 8 7.427 -20.200 -2.744 1.00 21.12 C ATOM 143 C SER A 8 6.306 -21.069 -3.306 1.00 64.23 C ATOM 144 O SER A 8 5.190 -20.599 -3.527 1.00 12.43 O ATOM 145 CB SER A 8 7.555 -20.426 -1.236 1.00 63.21 C ATOM 146 OG SER A 8 6.295 -20.326 -0.596 1.00 52.14 O ATOM 0 H SER A 8 6.196 -18.531 -3.056 1.00 60.52 H new ATOM 0 HA SER A 8 8.361 -20.485 -3.228 1.00 21.12 H new ATOM 0 HB2 SER A 8 7.985 -21.410 -1.048 1.00 63.21 H new ATOM 0 HB3 SER A 8 8.241 -19.692 -0.812 1.00 63.21 H new ATOM 0 HG SER A 8 6.426 -20.149 0.359 1.00 52.14 H new ATOM 152 N THR A 9 6.612 -22.342 -3.537 1.00 62.31 N ATOM 153 CA THR A 9 5.633 -23.278 -4.075 1.00 21.21 C ATOM 154 C THR A 9 5.121 -24.221 -2.992 1.00 15.52 C ATOM 155 O THR A 9 3.997 -24.076 -2.511 1.00 72.33 O ATOM 156 CB THR A 9 6.226 -24.112 -5.226 1.00 62.12 C ATOM 157 OG1 THR A 9 6.626 -23.252 -6.299 1.00 3.34 O ATOM 158 CG2 THR A 9 5.215 -25.129 -5.735 1.00 2.51 C ATOM 0 H THR A 9 7.531 -22.748 -3.360 1.00 62.31 H new ATOM 0 HA THR A 9 4.804 -22.682 -4.457 1.00 21.21 H new ATOM 0 HB THR A 9 7.096 -24.647 -4.846 1.00 62.12 H new ATOM 0 HG1 THR A 9 7.004 -23.790 -7.026 1.00 3.34 H new ATOM 0 HG21 THR A 9 5.657 -25.706 -6.547 1.00 2.51 H new ATOM 0 HG22 THR A 9 4.935 -25.801 -4.924 1.00 2.51 H new ATOM 0 HG23 THR A 9 4.328 -24.610 -6.099 1.00 2.51 H new ATOM 166 N ALA A 10 5.952 -25.185 -2.611 1.00 71.02 N ATOM 167 CA ALA A 10 5.583 -26.149 -1.582 1.00 62.43 C ATOM 168 C ALA A 10 5.948 -25.637 -0.193 1.00 42.23 C ATOM 169 O ALA A 10 6.240 -24.454 -0.014 1.00 25.11 O ATOM 170 CB ALA A 10 6.257 -27.487 -1.847 1.00 63.52 C ATOM 0 H ALA A 10 6.886 -25.319 -3.000 1.00 71.02 H new ATOM 0 HA ALA A 10 4.502 -26.285 -1.618 1.00 62.43 H new ATOM 0 HB1 ALA A 10 5.973 -28.198 -1.071 1.00 63.52 H new ATOM 0 HB2 ALA A 10 5.943 -27.866 -2.819 1.00 63.52 H new ATOM 0 HB3 ALA A 10 7.339 -27.357 -1.841 1.00 63.52 H new ATOM 176 N HIS A 11 5.929 -26.534 0.788 1.00 51.15 N ATOM 177 CA HIS A 11 6.258 -26.172 2.162 1.00 40.45 C ATOM 178 C HIS A 11 7.262 -27.154 2.757 1.00 45.23 C ATOM 179 O HIS A 11 6.909 -28.277 3.119 1.00 14.54 O ATOM 180 CB HIS A 11 4.993 -26.136 3.019 1.00 54.20 C ATOM 181 CG HIS A 11 3.865 -25.377 2.391 1.00 75.14 C ATOM 182 ND1 HIS A 11 3.511 -24.101 2.774 1.00 54.44 N ATOM 183 CD2 HIS A 11 3.010 -25.721 1.399 1.00 62.23 C ATOM 184 CE1 HIS A 11 2.486 -23.693 2.046 1.00 62.03 C ATOM 185 NE2 HIS A 11 2.164 -24.658 1.203 1.00 15.24 N ATOM 0 H HIS A 11 5.689 -27.517 0.657 1.00 51.15 H new ATOM 0 HA HIS A 11 6.709 -25.180 2.152 1.00 40.45 H new ATOM 0 HB2 HIS A 11 4.668 -27.158 3.215 1.00 54.20 H new ATOM 0 HB3 HIS A 11 5.230 -25.686 3.983 1.00 54.20 H new ATOM 0 HD2 HIS A 11 2.996 -26.658 0.862 1.00 62.23 H new ATOM 0 HE1 HIS A 11 1.995 -22.734 2.127 1.00 62.03 H new ATOM 0 HE2 HIS A 11 1.409 -24.619 0.518 1.00 15.24 H new ATOM 193 N LEU A 12 8.516 -26.725 2.854 1.00 51.45 N ATOM 194 CA LEU A 12 9.572 -27.566 3.404 1.00 24.51 C ATOM 195 C LEU A 12 10.574 -26.734 4.198 1.00 41.22 C ATOM 196 O LEU A 12 11.066 -25.714 3.718 1.00 42.40 O ATOM 197 CB LEU A 12 10.291 -28.316 2.281 1.00 25.22 C ATOM 198 CG LEU A 12 11.173 -29.488 2.714 1.00 44.10 C ATOM 199 CD1 LEU A 12 10.373 -30.781 2.730 1.00 0.00 C ATOM 200 CD2 LEU A 12 12.379 -29.616 1.794 1.00 30.23 C ATOM 0 H LEU A 12 8.826 -25.799 2.559 1.00 51.45 H new ATOM 0 HA LEU A 12 9.112 -28.288 4.079 1.00 24.51 H new ATOM 0 HB2 LEU A 12 9.542 -28.690 1.583 1.00 25.22 H new ATOM 0 HB3 LEU A 12 10.910 -27.604 1.734 1.00 25.22 H new ATOM 0 HG LEU A 12 11.531 -29.294 3.725 1.00 44.10 H new ATOM 0 HD11 LEU A 12 11.017 -31.604 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.543 -30.686 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.985 -30.981 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.996 -30.455 2.117 1.00 30.23 H new ATOM 0 HD22 LEU A 12 12.041 -29.787 0.772 1.00 30.23 H new ATOM 0 HD23 LEU A 12 12.966 -28.698 1.833 1.00 30.23 H new ATOM 212 N ASN A 13 10.873 -27.178 5.414 1.00 33.14 N ATOM 213 CA ASN A 13 11.817 -26.475 6.274 1.00 5.34 C ATOM 214 C ASN A 13 11.457 -24.996 6.384 1.00 34.41 C ATOM 215 O ASN A 13 12.330 -24.144 6.548 1.00 51.15 O ATOM 216 CB ASN A 13 13.241 -26.625 5.734 1.00 71.03 C ATOM 217 CG ASN A 13 14.288 -26.530 6.827 1.00 74.11 C ATOM 218 OD1 ASN A 13 14.093 -27.034 7.933 1.00 10.54 O ATOM 219 ND2 ASN A 13 15.405 -25.882 6.521 1.00 45.12 N ATOM 0 H ASN A 13 10.475 -28.022 5.826 1.00 33.14 H new ATOM 0 HA ASN A 13 11.763 -26.919 7.268 1.00 5.34 H new ATOM 0 HB2 ASN A 13 13.335 -27.586 5.227 1.00 71.03 H new ATOM 0 HB3 ASN A 13 13.427 -25.852 4.989 1.00 71.03 H new ATOM 0 HD21 ASN A 13 16.145 -25.786 7.216 1.00 45.12 H new ATOM 0 HD22 ASN A 13 15.523 -25.480 5.591 1.00 45.12 H new ATOM 226 N TYR A 14 10.165 -24.700 6.294 1.00 71.24 N ATOM 227 CA TYR A 14 9.688 -23.325 6.381 1.00 61.12 C ATOM 228 C TYR A 14 10.450 -22.422 5.416 1.00 5.00 C ATOM 229 O TYR A 14 11.207 -21.546 5.835 1.00 73.13 O ATOM 230 CB TYR A 14 9.835 -22.802 7.811 1.00 40.14 C ATOM 231 CG TYR A 14 8.690 -23.191 8.718 1.00 22.14 C ATOM 232 CD1 TYR A 14 7.457 -22.558 8.624 1.00 72.03 C ATOM 233 CD2 TYR A 14 8.842 -24.191 9.671 1.00 12.32 C ATOM 234 CE1 TYR A 14 6.408 -22.910 9.451 1.00 0.44 C ATOM 235 CE2 TYR A 14 7.798 -24.550 10.502 1.00 42.10 C ATOM 236 CZ TYR A 14 6.584 -23.906 10.388 1.00 35.44 C ATOM 237 OH TYR A 14 5.542 -24.260 11.215 1.00 31.32 O ATOM 0 H TYR A 14 9.429 -25.394 6.161 1.00 71.24 H new ATOM 0 HA TYR A 14 8.634 -23.314 6.104 1.00 61.12 H new ATOM 0 HB2 TYR A 14 10.766 -23.179 8.233 1.00 40.14 H new ATOM 0 HB3 TYR A 14 9.914 -21.715 7.785 1.00 40.14 H new ATOM 0 HD1 TYR A 14 7.316 -21.777 7.892 1.00 72.03 H new ATOM 0 HD2 TYR A 14 9.792 -24.696 9.764 1.00 12.32 H new ATOM 0 HE1 TYR A 14 5.456 -22.408 9.364 1.00 0.44 H new ATOM 0 HE2 TYR A 14 7.932 -25.330 11.236 1.00 42.10 H new ATOM 0 HH TYR A 14 5.831 -24.978 11.816 1.00 31.32 H new ATOM 247 N MET A 15 10.245 -22.642 4.122 1.00 74.43 N ATOM 248 CA MET A 15 10.910 -21.848 3.096 1.00 5.32 C ATOM 249 C MET A 15 9.937 -20.867 2.451 1.00 74.14 C ATOM 250 O MET A 15 8.995 -21.271 1.770 1.00 13.02 O ATOM 251 CB MET A 15 11.517 -22.760 2.028 1.00 4.41 C ATOM 252 CG MET A 15 13.027 -22.633 1.907 1.00 3.51 C ATOM 253 SD MET A 15 13.826 -24.198 1.506 1.00 61.43 S ATOM 254 CE MET A 15 15.526 -23.830 1.932 1.00 44.05 C ATOM 0 H MET A 15 9.623 -23.364 3.759 1.00 74.43 H new ATOM 0 HA MET A 15 11.708 -21.279 3.573 1.00 5.32 H new ATOM 0 HB2 MET A 15 11.265 -23.795 2.260 1.00 4.41 H new ATOM 0 HB3 MET A 15 11.063 -22.530 1.064 1.00 4.41 H new ATOM 0 HG2 MET A 15 13.265 -21.900 1.136 1.00 3.51 H new ATOM 0 HG3 MET A 15 13.432 -22.253 2.845 1.00 3.51 H new ATOM 0 HE1 MET A 15 16.147 -24.705 1.739 1.00 44.05 H new ATOM 0 HE2 MET A 15 15.879 -22.994 1.329 1.00 44.05 H new ATOM 0 HE3 MET A 15 15.588 -23.568 2.988 1.00 44.05 H new ATOM 264 N ASN A 16 10.171 -19.577 2.669 1.00 34.22 N ATOM 265 CA ASN A 16 9.313 -18.539 2.109 1.00 72.20 C ATOM 266 C ASN A 16 10.103 -17.259 1.854 1.00 21.23 C ATOM 267 O ASN A 16 11.019 -16.924 2.606 1.00 44.25 O ATOM 268 CB ASN A 16 8.143 -18.251 3.052 1.00 4.44 C ATOM 269 CG ASN A 16 7.217 -19.441 3.206 1.00 73.24 C ATOM 270 OD1 ASN A 16 6.543 -19.844 2.257 1.00 1.30 O ATOM 271 ND2 ASN A 16 7.179 -20.011 4.405 1.00 53.33 N ATOM 0 H ASN A 16 10.947 -19.225 3.229 1.00 34.22 H new ATOM 0 HA ASN A 16 8.923 -18.899 1.157 1.00 72.20 H new ATOM 0 HB2 ASN A 16 8.530 -17.967 4.030 1.00 4.44 H new ATOM 0 HB3 ASN A 16 7.576 -17.400 2.674 1.00 4.44 H new ATOM 0 HD21 ASN A 16 6.574 -20.816 4.568 1.00 53.33 H new ATOM 0 HD22 ASN A 16 7.755 -19.644 5.163 1.00 53.33 H new ATOM 278 N ILE A 17 9.742 -16.549 0.791 1.00 14.12 N ATOM 279 CA ILE A 17 10.416 -15.305 0.439 1.00 75.42 C ATOM 280 C ILE A 17 9.417 -14.162 0.291 1.00 64.13 C ATOM 281 O ILE A 17 8.620 -14.138 -0.646 1.00 33.51 O ATOM 282 CB ILE A 17 11.213 -15.449 -0.871 1.00 52.20 C ATOM 283 CG1 ILE A 17 12.381 -16.419 -0.679 1.00 53.52 C ATOM 284 CG2 ILE A 17 11.716 -14.090 -1.336 1.00 60.52 C ATOM 285 CD1 ILE A 17 13.011 -16.869 -1.978 1.00 64.21 C ATOM 0 H ILE A 17 8.987 -16.813 0.158 1.00 14.12 H new ATOM 0 HA ILE A 17 11.106 -15.078 1.252 1.00 75.42 H new ATOM 0 HB ILE A 17 10.553 -15.853 -1.639 1.00 52.20 H new ATOM 0 HG12 ILE A 17 13.142 -15.941 -0.062 1.00 53.52 H new ATOM 0 HG13 ILE A 17 12.030 -17.294 -0.132 1.00 53.52 H new ATOM 0 HG21 ILE A 17 12.277 -14.207 -2.263 1.00 60.52 H new ATOM 0 HG22 ILE A 17 10.868 -13.427 -1.507 1.00 60.52 H new ATOM 0 HG23 ILE A 17 12.364 -13.661 -0.572 1.00 60.52 H new ATOM 0 HD11 ILE A 17 13.832 -17.554 -1.766 1.00 64.21 H new ATOM 0 HD12 ILE A 17 12.264 -17.376 -2.589 1.00 64.21 H new ATOM 0 HD13 ILE A 17 13.393 -16.002 -2.517 1.00 64.21 H new ATOM 297 N ALA A 18 9.469 -13.214 1.221 1.00 23.40 N ATOM 298 CA ALA A 18 8.573 -12.066 1.192 1.00 14.41 C ATOM 299 C ALA A 18 9.144 -10.944 0.331 1.00 24.32 C ATOM 300 O ALA A 18 10.330 -10.625 0.417 1.00 24.21 O ATOM 301 CB ALA A 18 8.308 -11.567 2.605 1.00 44.40 C ATOM 0 H ALA A 18 10.123 -13.219 2.004 1.00 23.40 H new ATOM 0 HA ALA A 18 7.630 -12.385 0.748 1.00 14.41 H new ATOM 0 HB1 ALA A 18 7.637 -10.709 2.568 1.00 44.40 H new ATOM 0 HB2 ALA A 18 7.848 -12.362 3.191 1.00 44.40 H new ATOM 0 HB3 ALA A 18 9.249 -11.272 3.069 1.00 44.40 H new ATOM 307 N VAL A 19 8.294 -10.350 -0.499 1.00 51.44 N ATOM 308 CA VAL A 19 8.715 -9.263 -1.376 1.00 72.31 C ATOM 309 C VAL A 19 7.943 -7.984 -1.075 1.00 1.54 C ATOM 310 O VAL A 19 6.918 -8.010 -0.393 1.00 24.15 O ATOM 311 CB VAL A 19 8.519 -9.631 -2.859 1.00 12.31 C ATOM 312 CG1 VAL A 19 9.488 -8.851 -3.735 1.00 33.31 C ATOM 313 CG2 VAL A 19 8.689 -11.129 -3.063 1.00 41.52 C ATOM 0 H VAL A 19 7.309 -10.603 -0.583 1.00 51.44 H new ATOM 0 HA VAL A 19 9.776 -9.097 -1.187 1.00 72.31 H new ATOM 0 HB VAL A 19 7.504 -9.361 -3.152 1.00 12.31 H new ATOM 0 HG11 VAL A 19 9.335 -9.124 -4.779 1.00 33.31 H new ATOM 0 HG12 VAL A 19 9.312 -7.783 -3.610 1.00 33.31 H new ATOM 0 HG13 VAL A 19 10.512 -9.087 -3.445 1.00 33.31 H new ATOM 0 HG21 VAL A 19 8.547 -11.371 -4.116 1.00 41.52 H new ATOM 0 HG22 VAL A 19 9.691 -11.427 -2.754 1.00 41.52 H new ATOM 0 HG23 VAL A 19 7.951 -11.664 -2.465 1.00 41.52 H new ATOM 323 N TYR A 20 8.441 -6.864 -1.588 1.00 24.24 N ATOM 324 CA TYR A 20 7.800 -5.573 -1.372 1.00 11.30 C ATOM 325 C TYR A 20 8.002 -4.656 -2.575 1.00 31.41 C ATOM 326 O TYR A 20 9.116 -4.511 -3.077 1.00 73.14 O ATOM 327 CB TYR A 20 8.355 -4.908 -0.111 1.00 44.14 C ATOM 328 CG TYR A 20 8.401 -5.827 1.088 1.00 32.22 C ATOM 329 CD1 TYR A 20 7.246 -6.136 1.796 1.00 52.11 C ATOM 330 CD2 TYR A 20 9.599 -6.388 1.513 1.00 10.02 C ATOM 331 CE1 TYR A 20 7.283 -6.975 2.893 1.00 51.31 C ATOM 332 CE2 TYR A 20 9.645 -7.229 2.608 1.00 23.02 C ATOM 333 CZ TYR A 20 8.485 -7.519 3.295 1.00 52.10 C ATOM 334 OH TYR A 20 8.526 -8.356 4.386 1.00 33.04 O ATOM 0 H TYR A 20 9.287 -6.825 -2.156 1.00 24.24 H new ATOM 0 HA TYR A 20 6.731 -5.744 -1.244 1.00 11.30 H new ATOM 0 HB2 TYR A 20 9.361 -4.542 -0.316 1.00 44.14 H new ATOM 0 HB3 TYR A 20 7.743 -4.039 0.131 1.00 44.14 H new ATOM 0 HD1 TYR A 20 6.303 -5.713 1.483 1.00 52.11 H new ATOM 0 HD2 TYR A 20 10.510 -6.163 0.978 1.00 10.02 H new ATOM 0 HE1 TYR A 20 6.376 -7.204 3.433 1.00 51.31 H new ATOM 0 HE2 TYR A 20 10.585 -7.657 2.924 1.00 23.02 H new ATOM 0 HH TYR A 20 9.445 -8.412 4.721 1.00 33.04 H new ATOM 344 N GLU A 21 6.916 -4.040 -3.030 1.00 75.45 N ATOM 345 CA GLU A 21 6.973 -3.138 -4.174 1.00 71.05 C ATOM 346 C GLU A 21 6.688 -1.701 -3.748 1.00 42.45 C ATOM 347 O GLU A 21 5.977 -1.460 -2.774 1.00 73.41 O ATOM 348 CB GLU A 21 5.970 -3.572 -5.246 1.00 23.34 C ATOM 349 CG GLU A 21 5.983 -2.691 -6.484 1.00 34.53 C ATOM 350 CD GLU A 21 5.034 -3.184 -7.559 1.00 41.04 C ATOM 351 OE1 GLU A 21 5.250 -4.302 -8.073 1.00 51.33 O ATOM 352 OE2 GLU A 21 4.077 -2.452 -7.888 1.00 30.44 O ATOM 0 H GLU A 21 5.987 -4.149 -2.624 1.00 75.45 H new ATOM 0 HA GLU A 21 7.980 -3.183 -4.589 1.00 71.05 H new ATOM 0 HB2 GLU A 21 6.186 -4.599 -5.539 1.00 23.34 H new ATOM 0 HB3 GLU A 21 4.968 -3.567 -4.817 1.00 23.34 H new ATOM 0 HG2 GLU A 21 5.712 -1.673 -6.204 1.00 34.53 H new ATOM 0 HG3 GLU A 21 6.995 -2.652 -6.887 1.00 34.53 H new ATOM 359 N ASN A 22 7.250 -0.749 -4.486 1.00 41.34 N ATOM 360 CA ASN A 22 7.058 0.665 -4.185 1.00 41.30 C ATOM 361 C ASN A 22 5.916 1.248 -5.012 1.00 62.44 C ATOM 362 O ASN A 22 5.662 0.810 -6.134 1.00 3.21 O ATOM 363 CB ASN A 22 8.347 1.445 -4.454 1.00 12.01 C ATOM 364 CG ASN A 22 8.165 2.941 -4.281 1.00 35.52 C ATOM 365 OD1 ASN A 22 8.528 3.727 -5.156 1.00 21.23 O ATOM 366 ND2 ASN A 22 7.599 3.340 -3.148 1.00 2.33 N ATOM 0 H ASN A 22 7.842 -0.931 -5.297 1.00 41.34 H new ATOM 0 HA ASN A 22 6.801 0.754 -3.130 1.00 41.30 H new ATOM 0 HB2 ASN A 22 9.127 1.096 -3.778 1.00 12.01 H new ATOM 0 HB3 ASN A 22 8.689 1.238 -5.468 1.00 12.01 H new ATOM 0 HD21 ASN A 22 7.449 4.334 -2.975 1.00 2.33 H new ATOM 0 HD22 ASN A 22 7.314 2.652 -2.451 1.00 2.33 H new ATOM 373 N GLY A 23 5.231 2.239 -4.450 1.00 75.52 N ATOM 374 CA GLY A 23 4.124 2.865 -5.150 1.00 2.33 C ATOM 375 C GLY A 23 4.571 3.607 -6.394 1.00 74.32 C ATOM 376 O GLY A 23 3.813 3.732 -7.356 1.00 74.50 O ATOM 0 H GLY A 23 5.422 2.619 -3.523 1.00 75.52 H new ATOM 0 HA2 GLY A 23 3.396 2.103 -5.427 1.00 2.33 H new ATOM 0 HA3 GLY A 23 3.619 3.559 -4.478 1.00 2.33 H new ATOM 380 N SER A 24 5.804 4.102 -6.376 1.00 20.32 N ATOM 381 CA SER A 24 6.348 4.840 -7.509 1.00 64.25 C ATOM 382 C SER A 24 6.895 3.886 -8.567 1.00 71.31 C ATOM 383 O SER A 24 6.344 3.772 -9.662 1.00 73.22 O ATOM 384 CB SER A 24 7.453 5.790 -7.043 1.00 65.34 C ATOM 385 OG SER A 24 7.682 6.813 -7.997 1.00 21.12 O ATOM 0 H SER A 24 6.445 4.005 -5.589 1.00 20.32 H new ATOM 0 HA SER A 24 5.541 5.423 -7.953 1.00 64.25 H new ATOM 0 HB2 SER A 24 7.175 6.235 -6.088 1.00 65.34 H new ATOM 0 HB3 SER A 24 8.373 5.230 -6.878 1.00 65.34 H new ATOM 0 HG SER A 24 8.391 7.408 -7.675 1.00 21.12 H new ATOM 391 N LYS A 25 7.983 3.201 -8.232 1.00 2.34 N ATOM 392 CA LYS A 25 8.606 2.255 -9.150 1.00 10.22 C ATOM 393 C LYS A 25 8.524 0.833 -8.604 1.00 2.20 C ATOM 394 O LYS A 25 7.937 0.597 -7.548 1.00 20.23 O ATOM 395 CB LYS A 25 10.068 2.636 -9.393 1.00 40.11 C ATOM 396 CG LYS A 25 10.239 3.848 -10.293 1.00 22.22 C ATOM 397 CD LYS A 25 10.196 3.462 -11.762 1.00 5.01 C ATOM 398 CE LYS A 25 10.616 4.620 -12.655 1.00 32.13 C ATOM 399 NZ LYS A 25 10.564 4.255 -14.097 1.00 73.15 N ATOM 0 H LYS A 25 8.452 3.284 -7.330 1.00 2.34 H new ATOM 0 HA LYS A 25 8.065 2.294 -10.095 1.00 10.22 H new ATOM 0 HB2 LYS A 25 10.547 2.835 -8.434 1.00 40.11 H new ATOM 0 HB3 LYS A 25 10.587 1.787 -9.838 1.00 40.11 H new ATOM 0 HG2 LYS A 25 9.452 4.572 -10.083 1.00 22.22 H new ATOM 0 HG3 LYS A 25 11.188 4.336 -10.072 1.00 22.22 H new ATOM 0 HD2 LYS A 25 10.854 2.610 -11.935 1.00 5.01 H new ATOM 0 HD3 LYS A 25 9.187 3.144 -12.027 1.00 5.01 H new ATOM 0 HE2 LYS A 25 9.964 5.474 -12.473 1.00 32.13 H new ATOM 0 HE3 LYS A 25 11.628 4.930 -12.395 1.00 32.13 H new ATOM 0 HZ1 LYS A 25 10.857 5.070 -14.672 1.00 73.15 H new ATOM 0 HZ2 LYS A 25 11.205 3.456 -14.276 1.00 73.15 H new ATOM 0 HZ3 LYS A 25 9.593 3.983 -14.351 1.00 73.15 H new ATOM 413 N ILE A 26 9.117 -0.109 -9.329 1.00 64.02 N ATOM 414 CA ILE A 26 9.113 -1.507 -8.915 1.00 43.34 C ATOM 415 C ILE A 26 10.257 -1.797 -7.949 1.00 74.31 C ATOM 416 O ILE A 26 11.372 -1.305 -8.122 1.00 55.45 O ATOM 417 CB ILE A 26 9.226 -2.452 -10.126 1.00 30.43 C ATOM 418 CG1 ILE A 26 8.040 -2.250 -11.071 1.00 32.33 C ATOM 419 CG2 ILE A 26 9.300 -3.899 -9.662 1.00 21.51 C ATOM 420 CD1 ILE A 26 6.735 -2.787 -10.526 1.00 32.21 C ATOM 0 H ILE A 26 9.606 0.070 -10.206 1.00 64.02 H new ATOM 0 HA ILE A 26 8.162 -1.686 -8.412 1.00 43.34 H new ATOM 0 HB ILE A 26 10.142 -2.217 -10.668 1.00 30.43 H new ATOM 0 HG12 ILE A 26 7.928 -1.186 -11.278 1.00 32.33 H new ATOM 0 HG13 ILE A 26 8.256 -2.738 -12.021 1.00 32.33 H new ATOM 0 HG21 ILE A 26 9.380 -4.555 -10.529 1.00 21.51 H new ATOM 0 HG22 ILE A 26 10.174 -4.032 -9.024 1.00 21.51 H new ATOM 0 HG23 ILE A 26 8.400 -4.147 -9.100 1.00 21.51 H new ATOM 0 HD11 ILE A 26 5.938 -2.609 -11.248 1.00 32.21 H new ATOM 0 HD12 ILE A 26 6.829 -3.858 -10.346 1.00 32.21 H new ATOM 0 HD13 ILE A 26 6.496 -2.281 -9.590 1.00 32.21 H new ATOM 432 N LYS A 27 9.973 -2.602 -6.931 1.00 21.41 N ATOM 433 CA LYS A 27 10.977 -2.963 -5.937 1.00 44.22 C ATOM 434 C LYS A 27 10.913 -4.452 -5.614 1.00 62.21 C ATOM 435 O LYS A 27 9.831 -5.026 -5.501 1.00 75.22 O ATOM 436 CB LYS A 27 10.778 -2.144 -4.660 1.00 13.11 C ATOM 437 CG LYS A 27 11.643 -2.606 -3.500 1.00 14.22 C ATOM 438 CD LYS A 27 11.972 -1.459 -2.559 1.00 34.24 C ATOM 439 CE LYS A 27 10.959 -1.358 -1.428 1.00 24.42 C ATOM 440 NZ LYS A 27 9.588 -1.077 -1.935 1.00 33.33 N ATOM 0 H LYS A 27 9.055 -3.017 -6.772 1.00 21.41 H new ATOM 0 HA LYS A 27 11.960 -2.742 -6.354 1.00 44.22 H new ATOM 0 HB2 LYS A 27 10.997 -1.098 -4.872 1.00 13.11 H new ATOM 0 HB3 LYS A 27 9.730 -2.196 -4.364 1.00 13.11 H new ATOM 0 HG2 LYS A 27 11.126 -3.392 -2.950 1.00 14.22 H new ATOM 0 HG3 LYS A 27 12.567 -3.040 -3.884 1.00 14.22 H new ATOM 0 HD2 LYS A 27 12.970 -1.602 -2.144 1.00 34.24 H new ATOM 0 HD3 LYS A 27 11.990 -0.523 -3.117 1.00 34.24 H new ATOM 0 HE2 LYS A 27 10.953 -2.289 -0.862 1.00 24.42 H new ATOM 0 HE3 LYS A 27 11.261 -0.568 -0.740 1.00 24.42 H new ATOM 0 HZ1 LYS A 27 9.094 -0.449 -1.270 1.00 33.33 H new ATOM 0 HZ2 LYS A 27 9.650 -0.616 -2.865 1.00 33.33 H new ATOM 0 HZ3 LYS A 27 9.061 -1.969 -2.025 1.00 33.33 H new ATOM 454 N ALA A 28 12.080 -5.072 -5.465 1.00 54.41 N ATOM 455 CA ALA A 28 12.155 -6.493 -5.151 1.00 60.04 C ATOM 456 C ALA A 28 13.120 -6.750 -3.999 1.00 32.32 C ATOM 457 O ALA A 28 14.337 -6.701 -4.173 1.00 65.14 O ATOM 458 CB ALA A 28 12.576 -7.283 -6.381 1.00 64.34 C ATOM 0 H ALA A 28 12.986 -4.612 -5.557 1.00 54.41 H new ATOM 0 HA ALA A 28 11.164 -6.825 -4.841 1.00 60.04 H new ATOM 0 HB1 ALA A 28 12.628 -8.343 -6.132 1.00 64.34 H new ATOM 0 HB2 ALA A 28 11.847 -7.132 -7.177 1.00 64.34 H new ATOM 0 HB3 ALA A 28 13.555 -6.940 -6.716 1.00 64.34 H new ATOM 464 N ARG A 29 12.568 -7.024 -2.821 1.00 51.02 N ATOM 465 CA ARG A 29 13.380 -7.287 -1.639 1.00 42.04 C ATOM 466 C ARG A 29 13.118 -8.690 -1.101 1.00 63.50 C ATOM 467 O ARG A 29 12.046 -8.971 -0.565 1.00 61.20 O ATOM 468 CB ARG A 29 13.089 -6.250 -0.553 1.00 40.11 C ATOM 469 CG ARG A 29 13.901 -6.453 0.716 1.00 55.11 C ATOM 470 CD ARG A 29 13.273 -5.734 1.900 1.00 54.03 C ATOM 471 NE ARG A 29 14.015 -5.964 3.136 1.00 1.41 N ATOM 472 CZ ARG A 29 13.531 -5.697 4.344 1.00 23.12 C ATOM 473 NH1 ARG A 29 12.312 -5.195 4.477 1.00 14.34 N ATOM 474 NH2 ARG A 29 14.268 -5.934 5.422 1.00 11.32 N ATOM 0 H ARG A 29 11.562 -7.070 -2.660 1.00 51.02 H new ATOM 0 HA ARG A 29 14.429 -7.217 -1.927 1.00 42.04 H new ATOM 0 HB2 ARG A 29 13.292 -5.255 -0.949 1.00 40.11 H new ATOM 0 HB3 ARG A 29 12.028 -6.284 -0.305 1.00 40.11 H new ATOM 0 HG2 ARG A 29 13.977 -7.518 0.934 1.00 55.11 H new ATOM 0 HG3 ARG A 29 14.916 -6.086 0.563 1.00 55.11 H new ATOM 0 HD2 ARG A 29 13.233 -4.664 1.695 1.00 54.03 H new ATOM 0 HD3 ARG A 29 12.245 -6.073 2.026 1.00 54.03 H new ATOM 0 HE ARG A 29 14.956 -6.351 3.068 1.00 1.41 H new ATOM 0 HH11 ARG A 29 11.743 -5.013 3.651 1.00 14.34 H new ATOM 0 HH12 ARG A 29 11.943 -4.991 5.406 1.00 14.34 H new ATOM 0 HH21 ARG A 29 15.206 -6.321 5.323 1.00 11.32 H new ATOM 0 HH22 ARG A 29 13.896 -5.729 6.349 1.00 11.32 H new ATOM 488 N VAL A 30 14.105 -9.569 -1.248 1.00 41.11 N ATOM 489 CA VAL A 30 13.982 -10.943 -0.776 1.00 60.04 C ATOM 490 C VAL A 30 14.158 -11.023 0.736 1.00 52.21 C ATOM 491 O VAL A 30 15.156 -10.552 1.280 1.00 64.53 O ATOM 492 CB VAL A 30 15.016 -11.863 -1.452 1.00 4.03 C ATOM 493 CG1 VAL A 30 15.007 -13.241 -0.807 1.00 41.23 C ATOM 494 CG2 VAL A 30 14.746 -11.962 -2.945 1.00 71.04 C ATOM 0 H VAL A 30 14.999 -9.354 -1.690 1.00 41.11 H new ATOM 0 HA VAL A 30 12.979 -11.280 -1.040 1.00 60.04 H new ATOM 0 HB VAL A 30 16.007 -11.430 -1.314 1.00 4.03 H new ATOM 0 HG11 VAL A 30 15.744 -13.877 -1.298 1.00 41.23 H new ATOM 0 HG12 VAL A 30 15.254 -13.149 0.251 1.00 41.23 H new ATOM 0 HG13 VAL A 30 14.017 -13.685 -0.911 1.00 41.23 H new ATOM 0 HG21 VAL A 30 15.486 -12.616 -3.406 1.00 71.04 H new ATOM 0 HG22 VAL A 30 13.749 -12.371 -3.108 1.00 71.04 H new ATOM 0 HG23 VAL A 30 14.809 -10.970 -3.393 1.00 71.04 H new ATOM 504 N GLU A 31 13.181 -11.622 1.409 1.00 15.00 N ATOM 505 CA GLU A 31 13.228 -11.763 2.860 1.00 51.14 C ATOM 506 C GLU A 31 12.849 -13.180 3.281 1.00 1.33 C ATOM 507 O GLU A 31 11.725 -13.626 3.055 1.00 64.32 O ATOM 508 CB GLU A 31 12.289 -10.753 3.523 1.00 21.33 C ATOM 509 CG GLU A 31 12.042 -11.030 4.997 1.00 55.43 C ATOM 510 CD GLU A 31 11.375 -9.866 5.705 1.00 44.24 C ATOM 511 OE1 GLU A 31 11.401 -8.744 5.157 1.00 5.10 O ATOM 512 OE2 GLU A 31 10.828 -10.078 6.807 1.00 55.32 O ATOM 0 H GLU A 31 12.348 -12.017 0.973 1.00 15.00 H new ATOM 0 HA GLU A 31 14.249 -11.567 3.186 1.00 51.14 H new ATOM 0 HB2 GLU A 31 12.709 -9.753 3.415 1.00 21.33 H new ATOM 0 HB3 GLU A 31 11.335 -10.756 2.996 1.00 21.33 H new ATOM 0 HG2 GLU A 31 11.417 -11.917 5.096 1.00 55.43 H new ATOM 0 HG3 GLU A 31 12.991 -11.252 5.485 1.00 55.43 H new ATOM 519 N ASN A 32 13.796 -13.881 3.895 1.00 23.25 N ATOM 520 CA ASN A 32 13.563 -15.248 4.348 1.00 1.21 C ATOM 521 C ASN A 32 12.799 -15.261 5.668 1.00 12.44 C ATOM 522 O ASN A 32 12.457 -14.210 6.211 1.00 40.43 O ATOM 523 CB ASN A 32 14.893 -15.988 4.508 1.00 14.03 C ATOM 524 CG ASN A 32 14.767 -17.471 4.217 1.00 24.05 C ATOM 525 OD1 ASN A 32 15.196 -18.309 5.011 1.00 15.13 O ATOM 526 ND2 ASN A 32 14.178 -17.802 3.074 1.00 3.12 N ATOM 0 H ASN A 32 14.732 -13.526 4.090 1.00 23.25 H new ATOM 0 HA ASN A 32 12.960 -15.756 3.595 1.00 1.21 H new ATOM 0 HB2 ASN A 32 15.632 -15.550 3.837 1.00 14.03 H new ATOM 0 HB3 ASN A 32 15.263 -15.850 5.524 1.00 14.03 H new ATOM 0 HD21 ASN A 32 14.066 -18.784 2.824 1.00 3.12 H new ATOM 0 HD22 ASN A 32 13.838 -17.074 2.446 1.00 3.12 H new ATOM 533 N VAL A 33 12.534 -16.458 6.181 1.00 21.22 N ATOM 534 CA VAL A 33 11.812 -16.609 7.439 1.00 51.32 C ATOM 535 C VAL A 33 12.470 -17.658 8.328 1.00 74.00 C ATOM 536 O VAL A 33 12.602 -17.468 9.537 1.00 3.00 O ATOM 537 CB VAL A 33 10.343 -17.003 7.198 1.00 34.34 C ATOM 538 CG1 VAL A 33 10.259 -18.231 6.304 1.00 34.14 C ATOM 539 CG2 VAL A 33 9.634 -17.248 8.522 1.00 13.00 C ATOM 0 H VAL A 33 12.809 -17.338 5.745 1.00 21.22 H new ATOM 0 HA VAL A 33 11.843 -15.642 7.941 1.00 51.32 H new ATOM 0 HB VAL A 33 9.842 -16.179 6.690 1.00 34.34 H new ATOM 0 HG11 VAL A 33 9.213 -18.494 6.145 1.00 34.14 H new ATOM 0 HG12 VAL A 33 10.729 -18.015 5.344 1.00 34.14 H new ATOM 0 HG13 VAL A 33 10.775 -19.064 6.781 1.00 34.14 H new ATOM 0 HG21 VAL A 33 8.597 -17.525 8.333 1.00 13.00 H new ATOM 0 HG22 VAL A 33 10.134 -18.055 9.058 1.00 13.00 H new ATOM 0 HG23 VAL A 33 9.663 -16.340 9.124 1.00 13.00 H new ATOM 549 N VAL A 34 12.881 -18.767 7.721 1.00 52.32 N ATOM 550 CA VAL A 34 13.527 -19.847 8.457 1.00 52.21 C ATOM 551 C VAL A 34 14.739 -19.338 9.229 1.00 14.41 C ATOM 552 O VAL A 34 15.111 -19.898 10.259 1.00 1.30 O ATOM 553 CB VAL A 34 13.972 -20.981 7.514 1.00 12.32 C ATOM 554 CG1 VAL A 34 15.398 -20.751 7.038 1.00 1.32 C ATOM 555 CG2 VAL A 34 13.843 -22.329 8.206 1.00 72.52 C ATOM 0 H VAL A 34 12.778 -18.941 6.721 1.00 52.32 H new ATOM 0 HA VAL A 34 12.790 -20.236 9.159 1.00 52.21 H new ATOM 0 HB VAL A 34 13.319 -20.982 6.641 1.00 12.32 H new ATOM 0 HG11 VAL A 34 15.695 -21.562 6.373 1.00 1.32 H new ATOM 0 HG12 VAL A 34 15.454 -19.803 6.502 1.00 1.32 H new ATOM 0 HG13 VAL A 34 16.068 -20.722 7.897 1.00 1.32 H new ATOM 0 HG21 VAL A 34 14.161 -23.119 7.526 1.00 72.52 H new ATOM 0 HG22 VAL A 34 14.471 -22.342 9.097 1.00 72.52 H new ATOM 0 HG23 VAL A 34 12.804 -22.493 8.492 1.00 72.52 H new ATOM 565 N ASN A 35 15.350 -18.271 8.724 1.00 51.01 N ATOM 566 CA ASN A 35 16.521 -17.685 9.366 1.00 32.34 C ATOM 567 C ASN A 35 16.118 -16.540 10.291 1.00 63.04 C ATOM 568 O ASN A 35 16.859 -16.175 11.203 1.00 74.11 O ATOM 569 CB ASN A 35 17.508 -17.182 8.312 1.00 4.40 C ATOM 570 CG ASN A 35 18.604 -18.188 8.018 1.00 31.34 C ATOM 571 OD1 ASN A 35 18.720 -18.687 6.899 1.00 72.40 O ATOM 572 ND2 ASN A 35 19.414 -18.491 9.026 1.00 62.42 N ATOM 0 H ASN A 35 15.054 -17.795 7.872 1.00 51.01 H new ATOM 0 HA ASN A 35 17.003 -18.459 9.964 1.00 32.34 H new ATOM 0 HB2 ASN A 35 16.969 -16.957 7.392 1.00 4.40 H new ATOM 0 HB3 ASN A 35 17.957 -16.250 8.654 1.00 4.40 H new ATOM 0 HD21 ASN A 35 20.170 -19.162 8.889 1.00 62.42 H new ATOM 0 HD22 ASN A 35 19.280 -18.052 9.937 1.00 62.42 H new ATOM 579 N GLY A 36 14.938 -15.977 10.047 1.00 4.04 N ATOM 580 CA GLY A 36 14.457 -14.880 10.866 1.00 4.40 C ATOM 581 C GLY A 36 15.194 -13.584 10.590 1.00 2.00 C ATOM 582 O GLY A 36 15.051 -12.610 11.329 1.00 40.51 O ATOM 0 H GLY A 36 14.307 -16.261 9.297 1.00 4.04 H new ATOM 0 HA2 GLY A 36 13.392 -14.735 10.684 1.00 4.40 H new ATOM 0 HA3 GLY A 36 14.568 -15.141 11.919 1.00 4.40 H new ATOM 586 N LYS A 37 15.987 -13.572 9.524 1.00 41.31 N ATOM 587 CA LYS A 37 16.751 -12.387 9.151 1.00 15.31 C ATOM 588 C LYS A 37 16.684 -12.148 7.646 1.00 24.10 C ATOM 589 O LYS A 37 17.269 -12.896 6.863 1.00 23.51 O ATOM 590 CB LYS A 37 18.209 -12.535 9.591 1.00 32.01 C ATOM 591 CG LYS A 37 19.121 -11.448 9.049 1.00 21.24 C ATOM 592 CD LYS A 37 18.626 -10.063 9.431 1.00 70.22 C ATOM 593 CE LYS A 37 18.603 -9.875 10.940 1.00 62.50 C ATOM 594 NZ LYS A 37 19.949 -10.078 11.544 1.00 1.34 N ATOM 0 H LYS A 37 16.118 -14.370 8.903 1.00 41.31 H new ATOM 0 HA LYS A 37 16.311 -11.528 9.657 1.00 15.31 H new ATOM 0 HB2 LYS A 37 18.254 -12.526 10.680 1.00 32.01 H new ATOM 0 HB3 LYS A 37 18.581 -13.506 9.265 1.00 32.01 H new ATOM 0 HG2 LYS A 37 20.130 -11.593 9.434 1.00 21.24 H new ATOM 0 HG3 LYS A 37 19.179 -11.528 7.963 1.00 21.24 H new ATOM 0 HD2 LYS A 37 19.270 -9.308 8.979 1.00 70.22 H new ATOM 0 HD3 LYS A 37 17.624 -9.910 9.029 1.00 70.22 H new ATOM 0 HE2 LYS A 37 18.246 -8.872 11.176 1.00 62.50 H new ATOM 0 HE3 LYS A 37 17.896 -10.577 11.383 1.00 62.50 H new ATOM 0 HZ1 LYS A 37 19.945 -9.731 12.525 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 20.184 -11.091 11.536 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 20.659 -9.553 10.994 1.00 1.34 H new ATOM 608 N SER A 38 15.970 -11.100 7.248 1.00 34.44 N ATOM 609 CA SER A 38 15.826 -10.765 5.837 1.00 54.34 C ATOM 610 C SER A 38 17.187 -10.514 5.196 1.00 4.22 C ATOM 611 O SER A 38 17.876 -9.550 5.531 1.00 11.14 O ATOM 612 CB SER A 38 14.937 -9.530 5.672 1.00 32.42 C ATOM 613 OG SER A 38 14.195 -9.275 6.852 1.00 21.24 O ATOM 0 H SER A 38 15.482 -10.468 7.883 1.00 34.44 H new ATOM 0 HA SER A 38 15.358 -11.611 5.335 1.00 54.34 H new ATOM 0 HB2 SER A 38 15.553 -8.664 5.432 1.00 32.42 H new ATOM 0 HB3 SER A 38 14.255 -9.678 4.835 1.00 32.42 H new ATOM 0 HG SER A 38 13.636 -8.480 6.722 1.00 21.24 H new ATOM 619 N VAL A 39 17.570 -11.389 4.272 1.00 71.13 N ATOM 620 CA VAL A 39 18.848 -11.263 3.582 1.00 25.34 C ATOM 621 C VAL A 39 18.648 -11.074 2.083 1.00 61.20 C ATOM 622 O VAL A 39 19.028 -11.928 1.283 1.00 75.22 O ATOM 623 CB VAL A 39 19.737 -12.499 3.819 1.00 44.23 C ATOM 624 CG1 VAL A 39 20.436 -12.404 5.166 1.00 23.13 C ATOM 625 CG2 VAL A 39 18.913 -13.774 3.725 1.00 52.31 C ATOM 0 H VAL A 39 17.013 -12.193 3.984 1.00 71.13 H new ATOM 0 HA VAL A 39 19.344 -10.383 3.992 1.00 25.34 H new ATOM 0 HB VAL A 39 20.501 -12.530 3.042 1.00 44.23 H new ATOM 0 HG11 VAL A 39 21.059 -13.286 5.316 1.00 23.13 H new ATOM 0 HG12 VAL A 39 21.060 -11.510 5.190 1.00 23.13 H new ATOM 0 HG13 VAL A 39 19.691 -12.348 5.959 1.00 23.13 H new ATOM 0 HG21 VAL A 39 19.557 -14.637 3.895 1.00 52.31 H new ATOM 0 HG22 VAL A 39 18.126 -13.755 4.479 1.00 52.31 H new ATOM 0 HG23 VAL A 39 18.465 -13.845 2.734 1.00 52.31 H new ATOM 635 N GLY A 40 18.049 -9.948 1.709 1.00 40.33 N ATOM 636 CA GLY A 40 17.809 -9.666 0.306 1.00 73.05 C ATOM 637 C GLY A 40 17.412 -8.223 0.063 1.00 21.25 C ATOM 638 O GLY A 40 16.508 -7.703 0.716 1.00 32.23 O ATOM 0 H GLY A 40 17.726 -9.226 2.353 1.00 40.33 H new ATOM 0 HA2 GLY A 40 18.709 -9.893 -0.266 1.00 73.05 H new ATOM 0 HA3 GLY A 40 17.022 -10.323 -0.064 1.00 73.05 H new ATOM 642 N ALA A 41 18.091 -7.574 -0.877 1.00 22.24 N ATOM 643 CA ALA A 41 17.804 -6.183 -1.203 1.00 44.13 C ATOM 644 C ALA A 41 18.140 -5.881 -2.660 1.00 1.53 C ATOM 645 O ALA A 41 19.294 -5.984 -3.075 1.00 24.31 O ATOM 646 CB ALA A 41 18.576 -5.254 -0.278 1.00 11.31 C ATOM 0 H ALA A 41 18.844 -7.989 -1.426 1.00 22.24 H new ATOM 0 HA ALA A 41 16.737 -6.015 -1.061 1.00 44.13 H new ATOM 0 HB1 ALA A 41 18.352 -4.218 -0.533 1.00 11.31 H new ATOM 0 HB2 ALA A 41 18.285 -5.445 0.755 1.00 11.31 H new ATOM 0 HB3 ALA A 41 19.645 -5.433 -0.392 1.00 11.31 H new ATOM 652 N ARG A 42 17.124 -5.507 -3.431 1.00 3.10 N ATOM 653 CA ARG A 42 17.312 -5.191 -4.842 1.00 20.51 C ATOM 654 C ARG A 42 16.251 -4.207 -5.325 1.00 33.22 C ATOM 655 O ARG A 42 15.206 -4.047 -4.694 1.00 12.41 O ATOM 656 CB ARG A 42 17.259 -6.468 -5.683 1.00 65.12 C ATOM 657 CG ARG A 42 18.629 -7.050 -5.993 1.00 70.10 C ATOM 658 CD ARG A 42 19.445 -6.116 -6.872 1.00 44.12 C ATOM 659 NE ARG A 42 18.732 -5.750 -8.093 1.00 61.51 N ATOM 660 CZ ARG A 42 18.677 -6.524 -9.171 1.00 74.33 C ATOM 661 NH1 ARG A 42 19.289 -7.700 -9.180 1.00 34.44 N ATOM 662 NH2 ARG A 42 18.007 -6.122 -10.244 1.00 62.32 N ATOM 0 H ARG A 42 16.163 -5.415 -3.103 1.00 3.10 H new ATOM 0 HA ARG A 42 18.292 -4.728 -4.958 1.00 20.51 H new ATOM 0 HB2 ARG A 42 16.667 -7.216 -5.156 1.00 65.12 H new ATOM 0 HB3 ARG A 42 16.744 -6.255 -6.620 1.00 65.12 H new ATOM 0 HG2 ARG A 42 19.165 -7.237 -5.063 1.00 70.10 H new ATOM 0 HG3 ARG A 42 18.512 -8.012 -6.492 1.00 70.10 H new ATOM 0 HD2 ARG A 42 19.691 -5.214 -6.312 1.00 44.12 H new ATOM 0 HD3 ARG A 42 20.388 -6.596 -7.133 1.00 44.12 H new ATOM 0 HE ARG A 42 18.250 -4.851 -8.119 1.00 61.51 H new ATOM 0 HH11 ARG A 42 19.804 -8.013 -8.357 1.00 34.44 H new ATOM 0 HH12 ARG A 42 19.245 -8.292 -10.010 1.00 34.44 H new ATOM 0 HH21 ARG A 42 17.534 -5.218 -10.241 1.00 62.32 H new ATOM 0 HH22 ARG A 42 17.965 -6.717 -11.072 1.00 62.32 H new ATOM 676 N ASP A 43 16.527 -3.551 -6.446 1.00 74.15 N ATOM 677 CA ASP A 43 15.596 -2.583 -7.015 1.00 12.14 C ATOM 678 C ASP A 43 15.350 -2.868 -8.493 1.00 44.20 C ATOM 679 O ASP A 43 16.277 -2.842 -9.303 1.00 63.30 O ATOM 680 CB ASP A 43 16.134 -1.162 -6.839 1.00 31.13 C ATOM 681 CG ASP A 43 16.480 -0.849 -5.396 1.00 45.34 C ATOM 682 OD1 ASP A 43 17.600 -1.198 -4.965 1.00 54.24 O ATOM 683 OD2 ASP A 43 15.633 -0.254 -4.699 1.00 11.51 O ATOM 0 H ASP A 43 17.388 -3.672 -6.979 1.00 74.15 H new ATOM 0 HA ASP A 43 14.648 -2.673 -6.484 1.00 12.14 H new ATOM 0 HB2 ASP A 43 17.021 -1.033 -7.459 1.00 31.13 H new ATOM 0 HB3 ASP A 43 15.391 -0.448 -7.194 1.00 31.13 H new ATOM 688 N PHE A 44 14.096 -3.140 -8.838 1.00 22.13 N ATOM 689 CA PHE A 44 13.729 -3.432 -10.218 1.00 61.05 C ATOM 690 C PHE A 44 13.083 -2.217 -10.878 1.00 31.20 C ATOM 691 O PHE A 44 12.925 -1.168 -10.253 1.00 22.54 O ATOM 692 CB PHE A 44 12.772 -4.625 -10.273 1.00 5.02 C ATOM 693 CG PHE A 44 13.463 -5.937 -10.515 1.00 1.34 C ATOM 694 CD1 PHE A 44 14.596 -6.281 -9.796 1.00 4.03 C ATOM 695 CD2 PHE A 44 12.979 -6.825 -11.461 1.00 62.24 C ATOM 696 CE1 PHE A 44 15.234 -7.487 -10.016 1.00 22.44 C ATOM 697 CE2 PHE A 44 13.612 -8.033 -11.685 1.00 65.13 C ATOM 698 CZ PHE A 44 14.742 -8.364 -10.962 1.00 70.14 C ATOM 0 H PHE A 44 13.317 -3.164 -8.180 1.00 22.13 H new ATOM 0 HA PHE A 44 14.639 -3.680 -10.764 1.00 61.05 H new ATOM 0 HB2 PHE A 44 12.220 -4.682 -9.335 1.00 5.02 H new ATOM 0 HB3 PHE A 44 12.040 -4.458 -11.063 1.00 5.02 H new ATOM 0 HD1 PHE A 44 14.985 -5.599 -9.055 1.00 4.03 H new ATOM 0 HD2 PHE A 44 12.097 -6.571 -12.030 1.00 62.24 H new ATOM 0 HE1 PHE A 44 16.116 -7.743 -9.449 1.00 22.44 H new ATOM 0 HE2 PHE A 44 13.224 -8.718 -12.425 1.00 65.13 H new ATOM 0 HZ PHE A 44 15.239 -9.307 -11.137 1.00 70.14 H new ATOM 708 N ASP A 45 12.712 -2.367 -12.145 1.00 12.13 N ATOM 709 CA ASP A 45 12.082 -1.283 -12.890 1.00 63.12 C ATOM 710 C ASP A 45 10.661 -1.658 -13.297 1.00 53.43 C ATOM 711 O ASP A 45 9.713 -0.920 -13.028 1.00 35.31 O ATOM 712 CB ASP A 45 12.908 -0.942 -14.131 1.00 64.24 C ATOM 713 CG ASP A 45 12.307 0.196 -14.932 1.00 62.04 C ATOM 714 OD1 ASP A 45 11.379 -0.063 -15.727 1.00 42.14 O ATOM 715 OD2 ASP A 45 12.764 1.346 -14.764 1.00 31.33 O ATOM 0 H ASP A 45 12.837 -3.228 -12.677 1.00 12.13 H new ATOM 0 HA ASP A 45 12.036 -0.408 -12.242 1.00 63.12 H new ATOM 0 HB2 ASP A 45 13.920 -0.674 -13.828 1.00 64.24 H new ATOM 0 HB3 ASP A 45 12.988 -1.825 -14.764 1.00 64.24 H new ATOM 720 N SER A 46 10.521 -2.808 -13.949 1.00 14.24 N ATOM 721 CA SER A 46 9.215 -3.278 -14.397 1.00 63.14 C ATOM 722 C SER A 46 8.807 -4.544 -13.650 1.00 3.24 C ATOM 723 O SER A 46 9.655 -5.333 -13.231 1.00 31.11 O ATOM 724 CB SER A 46 9.237 -3.546 -15.903 1.00 74.55 C ATOM 725 OG SER A 46 10.167 -2.702 -16.559 1.00 14.31 O ATOM 0 H SER A 46 11.295 -3.431 -14.179 1.00 14.24 H new ATOM 0 HA SER A 46 8.483 -2.500 -14.183 1.00 63.14 H new ATOM 0 HB2 SER A 46 9.496 -4.589 -16.086 1.00 74.55 H new ATOM 0 HB3 SER A 46 8.242 -3.387 -16.318 1.00 74.55 H new ATOM 0 HG SER A 46 10.162 -2.895 -17.520 1.00 14.31 H new ATOM 731 N THR A 47 7.501 -4.731 -13.485 1.00 24.32 N ATOM 732 CA THR A 47 6.979 -5.899 -12.787 1.00 21.21 C ATOM 733 C THR A 47 7.175 -7.166 -13.612 1.00 1.00 C ATOM 734 O THR A 47 7.374 -8.249 -13.064 1.00 24.42 O ATOM 735 CB THR A 47 5.482 -5.737 -12.464 1.00 32.45 C ATOM 736 OG1 THR A 47 5.137 -4.348 -12.423 1.00 73.22 O ATOM 737 CG2 THR A 47 5.142 -6.388 -11.131 1.00 65.32 C ATOM 0 H THR A 47 6.786 -4.088 -13.825 1.00 24.32 H new ATOM 0 HA THR A 47 7.537 -5.986 -11.855 1.00 21.21 H new ATOM 0 HB THR A 47 4.909 -6.231 -13.249 1.00 32.45 H new ATOM 0 HG1 THR A 47 4.183 -4.254 -12.219 1.00 73.22 H new ATOM 0 HG21 THR A 47 4.079 -6.261 -10.924 1.00 65.32 H new ATOM 0 HG22 THR A 47 5.378 -7.451 -11.175 1.00 65.32 H new ATOM 0 HG23 THR A 47 5.725 -5.919 -10.338 1.00 65.32 H new ATOM 745 N GLU A 48 7.118 -7.022 -14.932 1.00 54.43 N ATOM 746 CA GLU A 48 7.289 -8.156 -15.832 1.00 60.12 C ATOM 747 C GLU A 48 8.597 -8.887 -15.543 1.00 71.20 C ATOM 748 O GLU A 48 8.597 -10.075 -15.222 1.00 61.32 O ATOM 749 CB GLU A 48 7.265 -7.688 -17.289 1.00 31.21 C ATOM 750 CG GLU A 48 7.004 -8.807 -18.283 1.00 73.02 C ATOM 751 CD GLU A 48 6.480 -8.296 -19.612 1.00 25.43 C ATOM 752 OE1 GLU A 48 5.691 -7.329 -19.605 1.00 53.22 O ATOM 753 OE2 GLU A 48 6.860 -8.864 -20.657 1.00 50.22 O ATOM 0 H GLU A 48 6.955 -6.131 -15.402 1.00 54.43 H new ATOM 0 HA GLU A 48 6.462 -8.846 -15.666 1.00 60.12 H new ATOM 0 HB2 GLU A 48 6.496 -6.924 -17.404 1.00 31.21 H new ATOM 0 HB3 GLU A 48 8.219 -7.218 -17.527 1.00 31.21 H new ATOM 0 HG2 GLU A 48 7.927 -9.362 -18.450 1.00 73.02 H new ATOM 0 HG3 GLU A 48 6.284 -9.506 -17.857 1.00 73.02 H new ATOM 760 N GLN A 49 9.708 -8.168 -15.660 1.00 4.11 N ATOM 761 CA GLN A 49 11.023 -8.748 -15.412 1.00 71.44 C ATOM 762 C GLN A 49 11.108 -9.323 -14.002 1.00 55.12 C ATOM 763 O GLN A 49 11.883 -10.244 -13.741 1.00 51.21 O ATOM 764 CB GLN A 49 12.115 -7.696 -15.613 1.00 54.14 C ATOM 765 CG GLN A 49 11.832 -6.383 -14.901 1.00 43.12 C ATOM 766 CD GLN A 49 13.070 -5.519 -14.758 1.00 54.44 C ATOM 767 OE1 GLN A 49 13.342 -4.977 -13.687 1.00 2.31 O ATOM 768 NE2 GLN A 49 13.827 -5.385 -15.841 1.00 30.30 N ATOM 0 H GLN A 49 9.724 -7.183 -15.925 1.00 4.11 H new ATOM 0 HA GLN A 49 11.174 -9.559 -16.125 1.00 71.44 H new ATOM 0 HB2 GLN A 49 13.064 -8.096 -15.256 1.00 54.14 H new ATOM 0 HB3 GLN A 49 12.231 -7.504 -16.680 1.00 54.14 H new ATOM 0 HG2 GLN A 49 11.070 -5.832 -15.452 1.00 43.12 H new ATOM 0 HG3 GLN A 49 11.422 -6.591 -13.913 1.00 43.12 H new ATOM 0 HE21 GLN A 49 13.564 -5.853 -16.708 1.00 30.30 H new ATOM 0 HE22 GLN A 49 14.672 -4.815 -15.805 1.00 30.30 H new ATOM 777 N LEU A 50 10.306 -8.774 -13.096 1.00 41.02 N ATOM 778 CA LEU A 50 10.290 -9.232 -11.711 1.00 43.31 C ATOM 779 C LEU A 50 9.848 -10.689 -11.624 1.00 62.02 C ATOM 780 O LEU A 50 10.581 -11.541 -11.123 1.00 4.40 O ATOM 781 CB LEU A 50 9.359 -8.354 -10.874 1.00 11.43 C ATOM 782 CG LEU A 50 9.755 -8.161 -9.409 1.00 50.44 C ATOM 783 CD1 LEU A 50 10.639 -6.933 -9.253 1.00 12.11 C ATOM 784 CD2 LEU A 50 8.517 -8.044 -8.533 1.00 14.31 C ATOM 0 H LEU A 50 9.659 -8.011 -13.296 1.00 41.02 H new ATOM 0 HA LEU A 50 11.303 -9.155 -11.317 1.00 43.31 H new ATOM 0 HB2 LEU A 50 9.297 -7.373 -11.345 1.00 11.43 H new ATOM 0 HB3 LEU A 50 8.359 -8.787 -10.905 1.00 11.43 H new ATOM 0 HG LEU A 50 10.322 -9.035 -9.087 1.00 50.44 H new ATOM 0 HD11 LEU A 50 10.911 -6.811 -8.205 1.00 12.11 H new ATOM 0 HD12 LEU A 50 11.542 -7.057 -9.850 1.00 12.11 H new ATOM 0 HD13 LEU A 50 10.098 -6.050 -9.592 1.00 12.11 H new ATOM 0 HD21 LEU A 50 8.818 -7.907 -7.494 1.00 14.31 H new ATOM 0 HD22 LEU A 50 7.923 -7.188 -8.855 1.00 14.31 H new ATOM 0 HD23 LEU A 50 7.921 -8.953 -8.622 1.00 14.31 H new ATOM 796 N GLU A 51 8.646 -10.968 -12.118 1.00 12.21 N ATOM 797 CA GLU A 51 8.108 -12.323 -12.097 1.00 15.13 C ATOM 798 C GLU A 51 8.968 -13.263 -12.936 1.00 73.13 C ATOM 799 O GLU A 51 9.029 -14.465 -12.676 1.00 11.44 O ATOM 800 CB GLU A 51 6.668 -12.332 -12.615 1.00 11.30 C ATOM 801 CG GLU A 51 5.716 -11.489 -11.783 1.00 3.32 C ATOM 802 CD GLU A 51 5.567 -12.005 -10.365 1.00 72.41 C ATOM 803 OE1 GLU A 51 6.399 -11.638 -9.510 1.00 25.13 O ATOM 804 OE2 GLU A 51 4.618 -12.777 -10.111 1.00 3.41 O ATOM 0 H GLU A 51 8.027 -10.274 -12.537 1.00 12.21 H new ATOM 0 HA GLU A 51 8.117 -12.674 -11.065 1.00 15.13 H new ATOM 0 HB2 GLU A 51 6.658 -11.968 -13.643 1.00 11.30 H new ATOM 0 HB3 GLU A 51 6.305 -13.360 -12.637 1.00 11.30 H new ATOM 0 HG2 GLU A 51 6.077 -10.461 -11.755 1.00 3.32 H new ATOM 0 HG3 GLU A 51 4.738 -11.471 -12.264 1.00 3.32 H new ATOM 811 N SER A 52 9.630 -12.707 -13.945 1.00 41.15 N ATOM 812 CA SER A 52 10.483 -13.495 -14.827 1.00 25.43 C ATOM 813 C SER A 52 11.774 -13.896 -14.118 1.00 13.12 C ATOM 814 O SER A 52 12.408 -14.889 -14.474 1.00 51.13 O ATOM 815 CB SER A 52 10.810 -12.706 -16.096 1.00 75.00 C ATOM 816 OG SER A 52 11.060 -13.575 -17.187 1.00 23.22 O ATOM 0 H SER A 52 9.592 -11.713 -14.172 1.00 41.15 H new ATOM 0 HA SER A 52 9.941 -14.401 -15.101 1.00 25.43 H new ATOM 0 HB2 SER A 52 9.981 -12.042 -16.339 1.00 75.00 H new ATOM 0 HB3 SER A 52 11.682 -12.076 -15.922 1.00 75.00 H new ATOM 0 HG SER A 52 11.265 -13.046 -17.986 1.00 23.22 H new ATOM 822 N TRP A 53 12.155 -13.116 -13.113 1.00 23.12 N ATOM 823 CA TRP A 53 13.370 -13.389 -12.353 1.00 1.31 C ATOM 824 C TRP A 53 13.179 -14.589 -11.433 1.00 32.41 C ATOM 825 O TRP A 53 13.983 -15.522 -11.438 1.00 54.01 O ATOM 826 CB TRP A 53 13.770 -12.161 -11.533 1.00 14.20 C ATOM 827 CG TRP A 53 14.600 -12.494 -10.331 1.00 10.14 C ATOM 828 CD1 TRP A 53 14.334 -12.161 -9.033 1.00 72.40 C ATOM 829 CD2 TRP A 53 15.832 -13.223 -10.315 1.00 60.13 C ATOM 830 NE1 TRP A 53 15.326 -12.640 -8.212 1.00 2.10 N ATOM 831 CE2 TRP A 53 16.257 -13.296 -8.974 1.00 55.31 C ATOM 832 CE3 TRP A 53 16.617 -13.823 -11.303 1.00 72.55 C ATOM 833 CZ2 TRP A 53 17.431 -13.943 -8.599 1.00 73.23 C ATOM 834 CZ3 TRP A 53 17.782 -14.466 -10.930 1.00 0.51 C ATOM 835 CH2 TRP A 53 18.180 -14.522 -9.587 1.00 73.25 C ATOM 0 H TRP A 53 11.641 -12.290 -12.805 1.00 23.12 H new ATOM 0 HA TRP A 53 14.166 -13.620 -13.060 1.00 1.31 H new ATOM 0 HB2 TRP A 53 14.326 -11.473 -12.170 1.00 14.20 H new ATOM 0 HB3 TRP A 53 12.869 -11.639 -11.210 1.00 14.20 H new ATOM 0 HD1 TRP A 53 13.471 -11.603 -8.701 1.00 72.40 H new ATOM 0 HE1 TRP A 53 15.363 -12.526 -7.199 1.00 2.10 H new ATOM 0 HE3 TRP A 53 16.318 -13.785 -12.340 1.00 72.55 H new ATOM 0 HZ2 TRP A 53 17.740 -13.986 -7.565 1.00 73.23 H new ATOM 0 HZ3 TRP A 53 18.396 -14.933 -11.686 1.00 0.51 H new ATOM 0 HH2 TRP A 53 19.096 -15.032 -9.327 1.00 73.25 H new ATOM 846 N PHE A 54 12.110 -14.560 -10.644 1.00 31.51 N ATOM 847 CA PHE A 54 11.814 -15.647 -9.717 1.00 71.15 C ATOM 848 C PHE A 54 11.307 -16.877 -10.465 1.00 51.45 C ATOM 849 O PHE A 54 11.133 -17.945 -9.879 1.00 64.55 O ATOM 850 CB PHE A 54 10.775 -15.199 -8.687 1.00 43.33 C ATOM 851 CG PHE A 54 10.334 -16.298 -7.763 1.00 44.42 C ATOM 852 CD1 PHE A 54 11.206 -16.820 -6.822 1.00 30.35 C ATOM 853 CD2 PHE A 54 9.048 -16.808 -7.837 1.00 23.15 C ATOM 854 CE1 PHE A 54 10.803 -17.831 -5.969 1.00 63.43 C ATOM 855 CE2 PHE A 54 8.640 -17.819 -6.987 1.00 10.32 C ATOM 856 CZ PHE A 54 9.519 -18.332 -6.053 1.00 11.21 C ATOM 0 H PHE A 54 11.434 -13.796 -10.628 1.00 31.51 H new ATOM 0 HA PHE A 54 12.737 -15.912 -9.201 1.00 71.15 H new ATOM 0 HB2 PHE A 54 11.190 -14.383 -8.096 1.00 43.33 H new ATOM 0 HB3 PHE A 54 9.904 -14.803 -9.210 1.00 43.33 H new ATOM 0 HD1 PHE A 54 12.212 -16.433 -6.754 1.00 30.35 H new ATOM 0 HD2 PHE A 54 8.357 -16.412 -8.566 1.00 23.15 H new ATOM 0 HE1 PHE A 54 11.492 -18.228 -5.238 1.00 63.43 H new ATOM 0 HE2 PHE A 54 7.634 -18.208 -7.053 1.00 10.32 H new ATOM 0 HZ PHE A 54 9.203 -19.123 -5.390 1.00 11.21 H new ATOM 866 N TYR A 55 11.071 -16.717 -11.763 1.00 12.42 N ATOM 867 CA TYR A 55 10.581 -17.812 -12.591 1.00 52.33 C ATOM 868 C TYR A 55 11.696 -18.373 -13.468 1.00 24.34 C ATOM 869 O TYR A 55 11.678 -19.545 -13.841 1.00 74.32 O ATOM 870 CB TYR A 55 9.420 -17.337 -13.467 1.00 13.15 C ATOM 871 CG TYR A 55 9.042 -18.316 -14.555 1.00 42.01 C ATOM 872 CD1 TYR A 55 9.678 -18.290 -15.791 1.00 32.35 C ATOM 873 CD2 TYR A 55 8.050 -19.266 -14.349 1.00 15.10 C ATOM 874 CE1 TYR A 55 9.336 -19.182 -16.788 1.00 72.35 C ATOM 875 CE2 TYR A 55 7.702 -20.163 -15.341 1.00 1.25 C ATOM 876 CZ TYR A 55 8.348 -20.117 -16.558 1.00 52.15 C ATOM 877 OH TYR A 55 8.004 -21.008 -17.549 1.00 54.43 O ATOM 0 H TYR A 55 11.211 -15.840 -12.264 1.00 12.42 H new ATOM 0 HA TYR A 55 10.229 -18.604 -11.930 1.00 52.33 H new ATOM 0 HB2 TYR A 55 8.550 -17.155 -12.836 1.00 13.15 H new ATOM 0 HB3 TYR A 55 9.687 -16.384 -13.924 1.00 13.15 H new ATOM 0 HD1 TYR A 55 10.452 -17.560 -15.974 1.00 32.35 H new ATOM 0 HD2 TYR A 55 7.542 -19.304 -13.397 1.00 15.10 H new ATOM 0 HE1 TYR A 55 9.839 -19.148 -17.743 1.00 72.35 H new ATOM 0 HE2 TYR A 55 6.929 -20.896 -15.164 1.00 1.25 H new ATOM 0 HH TYR A 55 7.293 -21.599 -17.225 1.00 54.43 H new ATOM 887 N GLY A 56 12.669 -17.526 -13.792 1.00 31.35 N ATOM 888 CA GLY A 56 13.780 -17.955 -14.621 1.00 1.23 C ATOM 889 C GLY A 56 14.963 -18.433 -13.803 1.00 22.13 C ATOM 890 O GLY A 56 16.115 -18.171 -14.151 1.00 2.31 O ATOM 0 H GLY A 56 12.707 -16.551 -13.495 1.00 31.35 H new ATOM 0 HA2 GLY A 56 13.449 -18.758 -15.279 1.00 1.23 H new ATOM 0 HA3 GLY A 56 14.093 -17.129 -15.259 1.00 1.23 H new ATOM 894 N LEU A 57 14.680 -19.135 -12.711 1.00 64.52 N ATOM 895 CA LEU A 57 15.730 -19.651 -11.839 1.00 45.43 C ATOM 896 C LEU A 57 15.864 -21.163 -11.983 1.00 31.34 C ATOM 897 O LEU A 57 14.928 -21.859 -12.376 1.00 35.22 O ATOM 898 CB LEU A 57 15.434 -19.289 -10.383 1.00 4.12 C ATOM 899 CG LEU A 57 15.850 -17.885 -9.942 1.00 22.11 C ATOM 900 CD1 LEU A 57 15.045 -17.446 -8.729 1.00 33.00 C ATOM 901 CD2 LEU A 57 17.341 -17.841 -9.639 1.00 12.11 C ATOM 0 H LEU A 57 13.732 -19.360 -12.408 1.00 64.52 H new ATOM 0 HA LEU A 57 16.673 -19.192 -12.136 1.00 45.43 H new ATOM 0 HB2 LEU A 57 14.363 -19.399 -10.213 1.00 4.12 H new ATOM 0 HB3 LEU A 57 15.935 -20.013 -9.741 1.00 4.12 H new ATOM 0 HG LEU A 57 15.645 -17.193 -10.759 1.00 22.11 H new ATOM 0 HD11 LEU A 57 15.355 -16.445 -8.430 1.00 33.00 H new ATOM 0 HD12 LEU A 57 13.984 -17.438 -8.980 1.00 33.00 H new ATOM 0 HD13 LEU A 57 15.218 -18.140 -7.907 1.00 33.00 H new ATOM 0 HD21 LEU A 57 17.619 -16.834 -9.327 1.00 12.11 H new ATOM 0 HD22 LEU A 57 17.571 -18.545 -8.840 1.00 12.11 H new ATOM 0 HD23 LEU A 57 17.902 -18.112 -10.533 1.00 12.11 H new ATOM 913 N PRO A 58 17.055 -21.686 -11.654 1.00 73.34 N ATOM 914 CA PRO A 58 17.338 -23.122 -11.736 1.00 21.23 C ATOM 915 C PRO A 58 16.585 -23.922 -10.678 1.00 62.54 C ATOM 916 O PRO A 58 15.955 -24.934 -10.984 1.00 13.25 O ATOM 917 CB PRO A 58 18.847 -23.200 -11.491 1.00 62.35 C ATOM 918 CG PRO A 58 19.167 -21.979 -10.701 1.00 14.22 C ATOM 919 CD PRO A 58 18.216 -20.916 -11.178 1.00 71.11 C ATOM 0 HA PRO A 58 17.024 -23.546 -12.690 1.00 21.23 H new ATOM 0 HB2 PRO A 58 19.113 -24.105 -10.945 1.00 62.35 H new ATOM 0 HB3 PRO A 58 19.400 -23.220 -12.430 1.00 62.35 H new ATOM 0 HG2 PRO A 58 19.044 -22.162 -9.633 1.00 14.22 H new ATOM 0 HG3 PRO A 58 20.202 -21.674 -10.855 1.00 14.22 H new ATOM 0 HD2 PRO A 58 17.942 -20.232 -10.375 1.00 71.11 H new ATOM 0 HD3 PRO A 58 18.653 -20.314 -11.975 1.00 71.11 H new ATOM 927 N GLY A 59 16.655 -23.462 -9.433 1.00 23.11 N ATOM 928 CA GLY A 59 15.975 -24.147 -8.349 1.00 63.43 C ATOM 929 C GLY A 59 14.513 -24.407 -8.655 1.00 25.24 C ATOM 930 O GLY A 59 13.863 -23.612 -9.332 1.00 12.51 O ATOM 0 H GLY A 59 17.171 -22.627 -9.155 1.00 23.11 H new ATOM 0 HA2 GLY A 59 16.476 -25.095 -8.151 1.00 63.43 H new ATOM 0 HA3 GLY A 59 16.052 -23.550 -7.440 1.00 63.43 H new ATOM 934 N SER A 60 13.996 -25.525 -8.155 1.00 72.02 N ATOM 935 CA SER A 60 12.603 -25.891 -8.383 1.00 13.40 C ATOM 936 C SER A 60 11.834 -25.949 -7.066 1.00 40.34 C ATOM 937 O SER A 60 12.123 -26.775 -6.202 1.00 3.44 O ATOM 938 CB SER A 60 12.518 -27.241 -9.096 1.00 71.42 C ATOM 939 OG SER A 60 13.073 -28.274 -8.300 1.00 71.12 O ATOM 0 H SER A 60 14.521 -26.193 -7.590 1.00 72.02 H new ATOM 0 HA SER A 60 12.151 -25.126 -9.014 1.00 13.40 H new ATOM 0 HB2 SER A 60 11.477 -27.471 -9.322 1.00 71.42 H new ATOM 0 HB3 SER A 60 13.047 -27.187 -10.048 1.00 71.42 H new ATOM 0 HG SER A 60 12.878 -28.100 -7.356 1.00 71.12 H new ATOM 945 N GLY A 61 10.852 -25.064 -6.922 1.00 72.21 N ATOM 946 CA GLY A 61 10.056 -25.031 -5.709 1.00 0.41 C ATOM 947 C GLY A 61 10.754 -24.301 -4.578 1.00 55.11 C ATOM 948 O GLY A 61 11.180 -23.157 -4.737 1.00 43.55 O ATOM 0 H GLY A 61 10.594 -24.370 -7.623 1.00 72.21 H new ATOM 0 HA2 GLY A 61 9.102 -24.546 -5.917 1.00 0.41 H new ATOM 0 HA3 GLY A 61 9.833 -26.051 -5.396 1.00 0.41 H new ATOM 952 N LEU A 62 10.869 -24.962 -3.432 1.00 32.22 N ATOM 953 CA LEU A 62 11.518 -24.369 -2.268 1.00 42.31 C ATOM 954 C LEU A 62 13.033 -24.343 -2.444 1.00 41.31 C ATOM 955 O LEU A 62 13.752 -23.758 -1.635 1.00 63.21 O ATOM 956 CB LEU A 62 11.154 -25.148 -1.003 1.00 54.12 C ATOM 957 CG LEU A 62 9.670 -25.467 -0.816 1.00 70.51 C ATOM 958 CD1 LEU A 62 9.471 -26.955 -0.570 1.00 63.02 C ATOM 959 CD2 LEU A 62 9.090 -24.653 0.331 1.00 34.31 C ATOM 0 H LEU A 62 10.521 -25.909 -3.284 1.00 32.22 H new ATOM 0 HA LEU A 62 11.164 -23.343 -2.169 1.00 42.31 H new ATOM 0 HB2 LEU A 62 11.709 -26.086 -1.005 1.00 54.12 H new ATOM 0 HB3 LEU A 62 11.495 -24.578 -0.139 1.00 54.12 H new ATOM 0 HG LEU A 62 9.142 -25.197 -1.730 1.00 70.51 H new ATOM 0 HD11 LEU A 62 8.409 -27.163 -0.439 1.00 63.02 H new ATOM 0 HD12 LEU A 62 9.849 -27.519 -1.423 1.00 63.02 H new ATOM 0 HD13 LEU A 62 10.012 -27.251 0.329 1.00 63.02 H new ATOM 0 HD21 LEU A 62 8.033 -24.893 0.450 1.00 34.31 H new ATOM 0 HD22 LEU A 62 9.622 -24.892 1.252 1.00 34.31 H new ATOM 0 HD23 LEU A 62 9.199 -23.590 0.114 1.00 34.31 H new ATOM 971 N GLY A 63 13.511 -24.979 -3.509 1.00 62.22 N ATOM 972 CA GLY A 63 14.938 -25.015 -3.773 1.00 73.15 C ATOM 973 C GLY A 63 15.471 -23.682 -4.259 1.00 2.12 C ATOM 974 O GLY A 63 16.530 -23.233 -3.820 1.00 11.51 O ATOM 0 H GLY A 63 12.936 -25.470 -4.194 1.00 62.22 H new ATOM 0 HA2 GLY A 63 15.465 -25.304 -2.864 1.00 73.15 H new ATOM 0 HA3 GLY A 63 15.147 -25.781 -4.520 1.00 73.15 H new ATOM 978 N ARG A 64 14.738 -23.049 -5.168 1.00 53.53 N ATOM 979 CA ARG A 64 15.145 -21.760 -5.716 1.00 31.21 C ATOM 980 C ARG A 64 15.156 -20.687 -4.631 1.00 21.30 C ATOM 981 O ARG A 64 15.791 -19.643 -4.783 1.00 70.34 O ATOM 982 CB ARG A 64 14.206 -21.344 -6.850 1.00 20.32 C ATOM 983 CG ARG A 64 12.883 -20.772 -6.366 1.00 63.54 C ATOM 984 CD ARG A 64 11.943 -20.486 -7.527 1.00 31.33 C ATOM 985 NE ARG A 64 11.713 -21.670 -8.350 1.00 63.41 N ATOM 986 CZ ARG A 64 10.900 -21.689 -9.400 1.00 50.12 C ATOM 987 NH1 ARG A 64 10.243 -20.593 -9.753 1.00 53.12 N ATOM 988 NH2 ARG A 64 10.743 -22.805 -10.100 1.00 64.30 N ATOM 0 H ARG A 64 13.859 -23.407 -5.541 1.00 53.53 H new ATOM 0 HA ARG A 64 16.156 -21.864 -6.110 1.00 31.21 H new ATOM 0 HB2 ARG A 64 14.707 -20.602 -7.472 1.00 20.32 H new ATOM 0 HB3 ARG A 64 14.008 -22.209 -7.483 1.00 20.32 H new ATOM 0 HG2 ARG A 64 12.411 -21.474 -5.679 1.00 63.54 H new ATOM 0 HG3 ARG A 64 13.065 -19.853 -5.808 1.00 63.54 H new ATOM 0 HD2 ARG A 64 10.991 -20.122 -7.141 1.00 31.33 H new ATOM 0 HD3 ARG A 64 12.361 -19.691 -8.145 1.00 31.33 H new ATOM 0 HE ARG A 64 12.204 -22.530 -8.105 1.00 63.41 H new ATOM 0 HH11 ARG A 64 10.361 -19.733 -9.218 1.00 53.12 H new ATOM 0 HH12 ARG A 64 9.619 -20.610 -10.560 1.00 53.12 H new ATOM 0 HH21 ARG A 64 11.247 -23.650 -9.832 1.00 64.30 H new ATOM 0 HH22 ARG A 64 10.118 -22.818 -10.906 1.00 64.30 H new ATOM 1002 N ILE A 65 14.450 -20.952 -3.537 1.00 54.02 N ATOM 1003 CA ILE A 65 14.379 -20.010 -2.427 1.00 41.44 C ATOM 1004 C ILE A 65 15.770 -19.535 -2.020 1.00 52.11 C ATOM 1005 O ILE A 65 15.942 -18.404 -1.567 1.00 52.34 O ATOM 1006 CB ILE A 65 13.683 -20.633 -1.203 1.00 54.22 C ATOM 1007 CG1 ILE A 65 12.268 -21.087 -1.570 1.00 65.42 C ATOM 1008 CG2 ILE A 65 13.643 -19.638 -0.053 1.00 1.21 C ATOM 1009 CD1 ILE A 65 11.345 -19.949 -1.942 1.00 11.53 C ATOM 0 H ILE A 65 13.919 -21.811 -3.396 1.00 54.02 H new ATOM 0 HA ILE A 65 13.793 -19.158 -2.773 1.00 41.44 H new ATOM 0 HB ILE A 65 14.254 -21.505 -0.884 1.00 54.22 H new ATOM 0 HG12 ILE A 65 12.325 -21.786 -2.405 1.00 65.42 H new ATOM 0 HG13 ILE A 65 11.840 -21.631 -0.728 1.00 65.42 H new ATOM 0 HG21 ILE A 65 13.148 -20.093 0.805 1.00 1.21 H new ATOM 0 HG22 ILE A 65 14.660 -19.358 0.221 1.00 1.21 H new ATOM 0 HG23 ILE A 65 13.092 -18.749 -0.360 1.00 1.21 H new ATOM 0 HD11 ILE A 65 10.360 -20.345 -2.190 1.00 11.53 H new ATOM 0 HD12 ILE A 65 11.258 -19.261 -1.101 1.00 11.53 H new ATOM 0 HD13 ILE A 65 11.750 -19.419 -2.804 1.00 11.53 H new ATOM 1021 N GLU A 66 16.759 -20.407 -2.186 1.00 61.20 N ATOM 1022 CA GLU A 66 18.135 -20.076 -1.836 1.00 44.12 C ATOM 1023 C GLU A 66 18.846 -19.398 -3.004 1.00 54.04 C ATOM 1024 O GLU A 66 19.694 -18.529 -2.809 1.00 24.44 O ATOM 1025 CB GLU A 66 18.898 -21.337 -1.424 1.00 11.32 C ATOM 1026 CG GLU A 66 19.210 -22.266 -2.585 1.00 5.04 C ATOM 1027 CD GLU A 66 19.174 -23.729 -2.187 1.00 54.12 C ATOM 1028 OE1 GLU A 66 18.096 -24.205 -1.773 1.00 1.32 O ATOM 1029 OE2 GLU A 66 20.223 -24.398 -2.291 1.00 41.20 O ATOM 0 H GLU A 66 16.633 -21.347 -2.560 1.00 61.20 H new ATOM 0 HA GLU A 66 18.111 -19.383 -0.995 1.00 44.12 H new ATOM 0 HB2 GLU A 66 19.831 -21.046 -0.942 1.00 11.32 H new ATOM 0 HB3 GLU A 66 18.312 -21.880 -0.682 1.00 11.32 H new ATOM 0 HG2 GLU A 66 18.492 -22.094 -3.387 1.00 5.04 H new ATOM 0 HG3 GLU A 66 20.196 -22.026 -2.983 1.00 5.04 H new ATOM 1036 N ASN A 67 18.492 -19.803 -4.220 1.00 15.32 N ATOM 1037 CA ASN A 67 19.095 -19.236 -5.420 1.00 43.13 C ATOM 1038 C ASN A 67 18.721 -17.765 -5.575 1.00 3.24 C ATOM 1039 O ASN A 67 19.591 -16.900 -5.675 1.00 10.04 O ATOM 1040 CB ASN A 67 18.652 -20.019 -6.658 1.00 11.12 C ATOM 1041 CG ASN A 67 19.510 -21.245 -6.904 1.00 51.23 C ATOM 1042 OD1 ASN A 67 19.316 -22.288 -6.279 1.00 44.50 O ATOM 1043 ND2 ASN A 67 20.465 -21.124 -7.819 1.00 73.33 N ATOM 0 H ASN A 67 17.791 -20.522 -4.400 1.00 15.32 H new ATOM 0 HA ASN A 67 20.178 -19.309 -5.320 1.00 43.13 H new ATOM 0 HB2 ASN A 67 17.612 -20.324 -6.539 1.00 11.12 H new ATOM 0 HB3 ASN A 67 18.695 -19.368 -7.531 1.00 11.12 H new ATOM 0 HD21 ASN A 67 21.074 -21.915 -8.028 1.00 73.33 H new ATOM 0 HD22 ASN A 67 20.589 -20.240 -8.313 1.00 73.33 H new ATOM 1050 N ALA A 68 17.421 -17.489 -5.592 1.00 63.24 N ATOM 1051 CA ALA A 68 16.932 -16.123 -5.732 1.00 31.34 C ATOM 1052 C ALA A 68 17.380 -15.257 -4.559 1.00 63.33 C ATOM 1053 O ALA A 68 17.835 -14.129 -4.747 1.00 63.42 O ATOM 1054 CB ALA A 68 15.415 -16.115 -5.846 1.00 73.42 C ATOM 0 H ALA A 68 16.688 -18.193 -5.511 1.00 63.24 H new ATOM 0 HA ALA A 68 17.357 -15.703 -6.644 1.00 31.34 H new ATOM 0 HB1 ALA A 68 15.063 -15.089 -5.950 1.00 73.42 H new ATOM 0 HB2 ALA A 68 15.113 -16.692 -6.720 1.00 73.42 H new ATOM 0 HB3 ALA A 68 14.980 -16.558 -4.950 1.00 73.42 H new ATOM 1060 N MET A 69 17.248 -15.792 -3.350 1.00 31.11 N ATOM 1061 CA MET A 69 17.640 -15.067 -2.147 1.00 24.10 C ATOM 1062 C MET A 69 19.130 -14.740 -2.171 1.00 22.41 C ATOM 1063 O MET A 69 19.522 -13.581 -2.052 1.00 45.52 O ATOM 1064 CB MET A 69 17.306 -15.887 -0.899 1.00 62.35 C ATOM 1065 CG MET A 69 17.709 -15.209 0.400 1.00 52.32 C ATOM 1066 SD MET A 69 18.466 -16.349 1.573 1.00 21.23 S ATOM 1067 CE MET A 69 17.055 -17.356 2.025 1.00 24.03 C ATOM 0 H MET A 69 16.873 -16.725 -3.177 1.00 31.11 H new ATOM 0 HA MET A 69 17.081 -14.132 -2.118 1.00 24.10 H new ATOM 0 HB2 MET A 69 16.234 -16.083 -0.879 1.00 62.35 H new ATOM 0 HB3 MET A 69 17.806 -16.853 -0.965 1.00 62.35 H new ATOM 0 HG2 MET A 69 18.408 -14.401 0.182 1.00 52.32 H new ATOM 0 HG3 MET A 69 16.829 -14.755 0.856 1.00 52.32 H new ATOM 0 HE1 MET A 69 17.167 -17.699 3.053 1.00 24.03 H new ATOM 0 HE2 MET A 69 16.143 -16.765 1.937 1.00 24.03 H new ATOM 0 HE3 MET A 69 16.995 -18.217 1.360 1.00 24.03 H new ATOM 1077 N ASN A 70 19.955 -15.771 -2.325 1.00 21.12 N ATOM 1078 CA ASN A 70 21.402 -15.593 -2.363 1.00 41.22 C ATOM 1079 C ASN A 70 21.805 -14.655 -3.497 1.00 73.13 C ATOM 1080 O ASN A 70 22.882 -14.061 -3.471 1.00 51.11 O ATOM 1081 CB ASN A 70 22.099 -16.944 -2.532 1.00 60.43 C ATOM 1082 CG ASN A 70 23.609 -16.814 -2.579 1.00 22.33 C ATOM 1083 OD1 ASN A 70 24.253 -16.556 -1.561 1.00 73.43 O ATOM 1084 ND2 ASN A 70 24.182 -16.993 -3.763 1.00 41.43 N ATOM 0 H ASN A 70 19.646 -16.738 -2.425 1.00 21.12 H new ATOM 0 HA ASN A 70 21.713 -15.147 -1.418 1.00 41.22 H new ATOM 0 HB2 ASN A 70 21.819 -17.600 -1.708 1.00 60.43 H new ATOM 0 HB3 ASN A 70 21.749 -17.418 -3.449 1.00 60.43 H new ATOM 0 HD21 ASN A 70 25.195 -16.918 -3.856 1.00 41.43 H new ATOM 0 HD22 ASN A 70 23.609 -17.205 -4.580 1.00 41.43 H new ATOM 1091 N GLU A 71 20.931 -14.528 -4.491 1.00 51.22 N ATOM 1092 CA GLU A 71 21.196 -13.662 -5.634 1.00 62.44 C ATOM 1093 C GLU A 71 20.854 -12.211 -5.309 1.00 63.21 C ATOM 1094 O GLU A 71 21.650 -11.305 -5.557 1.00 0.31 O ATOM 1095 CB GLU A 71 20.393 -14.127 -6.851 1.00 53.30 C ATOM 1096 CG GLU A 71 21.159 -15.070 -7.763 1.00 4.21 C ATOM 1097 CD GLU A 71 21.787 -14.357 -8.945 1.00 12.21 C ATOM 1098 OE1 GLU A 71 22.868 -13.756 -8.769 1.00 54.00 O ATOM 1099 OE2 GLU A 71 21.198 -14.399 -10.045 1.00 73.10 O ATOM 0 H GLU A 71 20.035 -15.013 -4.528 1.00 51.22 H new ATOM 0 HA GLU A 71 22.260 -13.723 -5.864 1.00 62.44 H new ATOM 0 HB2 GLU A 71 19.486 -14.624 -6.508 1.00 53.30 H new ATOM 0 HB3 GLU A 71 20.081 -13.254 -7.425 1.00 53.30 H new ATOM 0 HG2 GLU A 71 21.939 -15.571 -7.189 1.00 4.21 H new ATOM 0 HG3 GLU A 71 20.484 -15.845 -8.127 1.00 4.21 H new ATOM 1106 N ILE A 72 19.666 -12.000 -4.754 1.00 10.24 N ATOM 1107 CA ILE A 72 19.219 -10.660 -4.394 1.00 51.20 C ATOM 1108 C ILE A 72 19.981 -10.132 -3.183 1.00 61.42 C ATOM 1109 O ILE A 72 20.084 -8.923 -2.980 1.00 54.30 O ATOM 1110 CB ILE A 72 17.710 -10.633 -4.088 1.00 73.10 C ATOM 1111 CG1 ILE A 72 16.910 -11.072 -5.316 1.00 62.24 C ATOM 1112 CG2 ILE A 72 17.284 -9.242 -3.642 1.00 23.22 C ATOM 1113 CD1 ILE A 72 17.169 -10.223 -6.541 1.00 63.12 C ATOM 0 H ILE A 72 18.996 -12.739 -4.544 1.00 10.24 H new ATOM 0 HA ILE A 72 19.419 -10.020 -5.253 1.00 51.20 H new ATOM 0 HB ILE A 72 17.507 -11.332 -3.276 1.00 73.10 H new ATOM 0 HG12 ILE A 72 17.152 -12.110 -5.545 1.00 62.24 H new ATOM 0 HG13 ILE A 72 15.847 -11.038 -5.078 1.00 62.24 H new ATOM 0 HG21 ILE A 72 16.215 -9.240 -3.430 1.00 23.22 H new ATOM 0 HG22 ILE A 72 17.833 -8.964 -2.742 1.00 23.22 H new ATOM 0 HG23 ILE A 72 17.498 -8.524 -4.434 1.00 23.22 H new ATOM 0 HD11 ILE A 72 16.569 -10.592 -7.373 1.00 63.12 H new ATOM 0 HD12 ILE A 72 16.900 -9.188 -6.330 1.00 63.12 H new ATOM 0 HD13 ILE A 72 18.225 -10.277 -6.804 1.00 63.12 H new ATOM 1125 N SER A 73 20.516 -11.049 -2.382 1.00 40.44 N ATOM 1126 CA SER A 73 21.268 -10.676 -1.190 1.00 20.31 C ATOM 1127 C SER A 73 22.622 -10.082 -1.565 1.00 64.41 C ATOM 1128 O SER A 73 23.333 -9.544 -0.716 1.00 51.22 O ATOM 1129 CB SER A 73 21.465 -11.894 -0.285 1.00 4.22 C ATOM 1130 OG SER A 73 21.714 -11.500 1.053 1.00 10.54 O ATOM 0 H SER A 73 20.442 -12.054 -2.537 1.00 40.44 H new ATOM 0 HA SER A 73 20.697 -9.920 -0.651 1.00 20.31 H new ATOM 0 HB2 SER A 73 20.578 -12.526 -0.322 1.00 4.22 H new ATOM 0 HB3 SER A 73 22.298 -12.493 -0.652 1.00 4.22 H new ATOM 0 HG SER A 73 22.295 -10.711 1.059 1.00 10.54 H new ATOM 1136 N ARG A 74 22.973 -10.185 -2.843 1.00 31.21 N ATOM 1137 CA ARG A 74 24.242 -9.660 -3.332 1.00 1.04 C ATOM 1138 C ARG A 74 24.101 -8.199 -3.750 1.00 20.31 C ATOM 1139 O ARG A 74 23.089 -7.557 -3.467 1.00 62.44 O ATOM 1140 CB ARG A 74 24.743 -10.494 -4.513 1.00 14.34 C ATOM 1141 CG ARG A 74 24.781 -11.987 -4.231 1.00 5.21 C ATOM 1142 CD ARG A 74 26.210 -12.507 -4.177 1.00 55.43 C ATOM 1143 NE ARG A 74 26.689 -12.649 -2.805 1.00 41.42 N ATOM 1144 CZ ARG A 74 27.954 -12.905 -2.492 1.00 4.53 C ATOM 1145 NH1 ARG A 74 28.862 -13.045 -3.448 1.00 22.34 N ATOM 1146 NH2 ARG A 74 28.314 -13.020 -1.220 1.00 13.34 N ATOM 0 H ARG A 74 22.396 -10.627 -3.558 1.00 31.21 H new ATOM 0 HA ARG A 74 24.968 -9.720 -2.521 1.00 1.04 H new ATOM 0 HB2 ARG A 74 24.100 -10.312 -5.374 1.00 14.34 H new ATOM 0 HB3 ARG A 74 25.744 -10.159 -4.785 1.00 14.34 H new ATOM 0 HG2 ARG A 74 24.282 -12.193 -3.284 1.00 5.21 H new ATOM 0 HG3 ARG A 74 24.228 -12.519 -5.005 1.00 5.21 H new ATOM 0 HD2 ARG A 74 26.264 -13.472 -4.682 1.00 55.43 H new ATOM 0 HD3 ARG A 74 26.864 -11.826 -4.721 1.00 55.43 H new ATOM 0 HE ARG A 74 26.016 -12.546 -2.046 1.00 41.42 H new ATOM 0 HH11 ARG A 74 28.590 -12.956 -4.427 1.00 22.34 H new ATOM 0 HH12 ARG A 74 29.833 -13.242 -3.204 1.00 22.34 H new ATOM 0 HH21 ARG A 74 27.619 -12.912 -0.481 1.00 13.34 H new ATOM 0 HH22 ARG A 74 29.286 -13.217 -0.981 1.00 13.34 H new ATOM 1160 N ARG A 75 25.123 -7.681 -4.424 1.00 15.13 N ATOM 1161 CA ARG A 75 25.113 -6.296 -4.879 1.00 42.02 C ATOM 1162 C ARG A 75 23.891 -6.018 -5.750 1.00 21.13 C ATOM 1163 O ARG A 75 23.241 -6.943 -6.237 1.00 5.25 O ATOM 1164 CB ARG A 75 26.391 -5.985 -5.661 1.00 72.31 C ATOM 1165 CG ARG A 75 27.615 -5.802 -4.779 1.00 63.43 C ATOM 1166 CD ARG A 75 28.638 -4.884 -5.430 1.00 11.24 C ATOM 1167 NE ARG A 75 29.986 -5.118 -4.920 1.00 64.21 N ATOM 1168 CZ ARG A 75 30.423 -4.652 -3.755 1.00 62.33 C ATOM 1169 NH1 ARG A 75 29.622 -3.931 -2.983 1.00 70.24 N ATOM 1170 NH2 ARG A 75 31.664 -4.908 -3.360 1.00 71.14 N ATOM 0 H ARG A 75 25.967 -8.199 -4.667 1.00 15.13 H new ATOM 0 HA ARG A 75 25.066 -5.652 -4.001 1.00 42.02 H new ATOM 0 HB2 ARG A 75 26.580 -6.793 -6.368 1.00 72.31 H new ATOM 0 HB3 ARG A 75 26.237 -5.079 -6.247 1.00 72.31 H new ATOM 0 HG2 ARG A 75 27.313 -5.388 -3.817 1.00 63.43 H new ATOM 0 HG3 ARG A 75 28.070 -6.772 -4.580 1.00 63.43 H new ATOM 0 HD2 ARG A 75 28.627 -5.037 -6.509 1.00 11.24 H new ATOM 0 HD3 ARG A 75 28.358 -3.846 -5.252 1.00 11.24 H new ATOM 0 HE ARG A 75 30.628 -5.670 -5.490 1.00 64.21 H new ATOM 0 HH11 ARG A 75 28.667 -3.733 -3.283 1.00 70.24 H new ATOM 0 HH12 ARG A 75 29.960 -3.575 -2.089 1.00 70.24 H new ATOM 0 HH21 ARG A 75 32.283 -5.463 -3.951 1.00 71.14 H new ATOM 0 HH22 ARG A 75 31.999 -4.550 -2.465 1.00 71.14 H new ATOM 1184 N GLU A 76 23.585 -4.739 -5.940 1.00 11.51 N ATOM 1185 CA GLU A 76 22.440 -4.340 -6.750 1.00 61.14 C ATOM 1186 C GLU A 76 22.895 -3.642 -8.029 1.00 1.34 C ATOM 1187 O GLU A 76 24.070 -3.313 -8.184 1.00 43.10 O ATOM 1188 CB GLU A 76 21.519 -3.416 -5.952 1.00 15.03 C ATOM 1189 CG GLU A 76 21.240 -3.905 -4.540 1.00 63.33 C ATOM 1190 CD GLU A 76 20.442 -2.908 -3.724 1.00 13.12 C ATOM 1191 OE1 GLU A 76 21.042 -1.931 -3.230 1.00 3.42 O ATOM 1192 OE2 GLU A 76 19.217 -3.104 -3.579 1.00 22.45 O ATOM 0 H GLU A 76 24.114 -3.961 -5.544 1.00 11.51 H new ATOM 0 HA GLU A 76 21.890 -5.240 -7.024 1.00 61.14 H new ATOM 0 HB2 GLU A 76 21.968 -2.424 -5.902 1.00 15.03 H new ATOM 0 HB3 GLU A 76 20.574 -3.311 -6.484 1.00 15.03 H new ATOM 0 HG2 GLU A 76 20.696 -4.848 -4.587 1.00 63.33 H new ATOM 0 HG3 GLU A 76 22.185 -4.107 -4.036 1.00 63.33 H new ATOM 1199 N ASN A 77 21.955 -3.419 -8.941 1.00 72.43 N ATOM 1200 CA ASN A 77 22.258 -2.761 -10.207 1.00 25.41 C ATOM 1201 C ASN A 77 20.994 -2.575 -11.040 1.00 1.40 C ATOM 1202 O ASN A 77 20.775 -3.255 -12.043 1.00 2.15 O ATOM 1203 CB ASN A 77 23.286 -3.576 -10.995 1.00 44.41 C ATOM 1204 CG ASN A 77 22.959 -5.056 -11.015 1.00 21.21 C ATOM 1205 OD1 ASN A 77 21.793 -5.445 -11.078 1.00 54.41 O ATOM 1206 ND2 ASN A 77 23.991 -5.891 -10.960 1.00 54.23 N ATOM 0 H ASN A 77 20.977 -3.684 -8.827 1.00 72.43 H new ATOM 0 HA ASN A 77 22.674 -1.778 -9.987 1.00 25.41 H new ATOM 0 HB2 ASN A 77 23.333 -3.204 -12.018 1.00 44.41 H new ATOM 0 HB3 ASN A 77 24.273 -3.431 -10.557 1.00 44.41 H new ATOM 0 HD21 ASN A 77 23.833 -6.899 -10.969 1.00 54.23 H new ATOM 0 HD22 ASN A 77 24.941 -5.524 -10.909 1.00 54.23 H new ATOM 1213 N PRO A 78 20.141 -1.630 -10.617 1.00 40.10 N ATOM 1214 CA PRO A 78 18.884 -1.330 -11.310 1.00 65.30 C ATOM 1215 C PRO A 78 19.113 -0.658 -12.660 1.00 33.53 C ATOM 1216 O PRO A 78 19.662 -1.264 -13.580 1.00 50.22 O ATOM 1217 CB PRO A 78 18.170 -0.375 -10.351 1.00 54.12 C ATOM 1218 CG PRO A 78 19.264 0.262 -9.566 1.00 15.40 C ATOM 1219 CD PRO A 78 20.338 -0.781 -9.430 1.00 13.00 C ATOM 0 HA PRO A 78 18.316 -2.233 -11.535 1.00 65.30 H new ATOM 0 HB2 PRO A 78 17.588 0.369 -10.894 1.00 54.12 H new ATOM 0 HB3 PRO A 78 17.477 -0.911 -9.702 1.00 54.12 H new ATOM 0 HG2 PRO A 78 19.643 1.149 -10.074 1.00 15.40 H new ATOM 0 HG3 PRO A 78 18.906 0.583 -8.588 1.00 15.40 H new ATOM 0 HD2 PRO A 78 21.332 -0.335 -9.416 1.00 13.00 H new ATOM 0 HD3 PRO A 78 20.231 -1.350 -8.507 1.00 13.00 H new TER 1227 PRO A 78