USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 922 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 21 SER OG : rot 48:sc= 1.49 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -1.99! K(o=0.94!,f=-0.41) USER MOD Set 1.3: A 82 THR OG1 : rot -118:sc= 1.44 USER MOD Set 2.1: A 73 TYR OH : rot 70:sc= 1.18 USER MOD Set 2.2: A 115 TYR OH : rot -142:sc= 0.0852 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.8! K(o=-3.8!,f=-1.8) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -8.83! C(o=-8.8!,f=-6.1!) USER MOD Single : A 13 MET CE :methyl -161:sc= -1.51 (180deg=-2.22) USER MOD Single : A 15 SER OG : rot 180:sc= -0.052 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.222 USER MOD Single : A 20 SER OG : rot -58:sc= 0.279 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 123:sc= 0.914 USER MOD Single : A 27 ASN : amide:sc= -4.37! C(o=-4.4!,f=-6.8!) USER MOD Single : A 28 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 29 MET CE :methyl 170:sc= -1.51 (180deg=-2.23!) USER MOD Single : A 30 MET CE :methyl 161:sc= -0.0386 (180deg=-0.592) USER MOD Single : A 34 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.1) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 98:sc= -2.09 USER MOD Single : A 37 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.98) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.096 (180deg=0.0775) USER MOD Single : A 44 ASN : amide:sc= 0.436 K(o=0.44,f=-6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -9.31! C(o=-9.3!,f=-5.2!) USER MOD Single : A 56 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 60 GLN : amide:sc= -2.46! K(o=-2.5!,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.739 K(o=-0.74,f=-12!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -5.59! C(o=-5.6!,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 119:sc= 0.675 USER MOD Single : A 76 ASN : amide:sc= -3.55! K(o=-3.5!,f=-1.3) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 25:sc= 0.0607 USER MOD Single : A 79 MET CE :methyl 170:sc= -2.31 (180deg=-2.47!) USER MOD Single : A 80 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-8.4!) USER MOD Single : A 87 THR OG1 : rot -28:sc= 0.203 USER MOD Single : A 88 ASN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 90 SER OG : rot 93:sc= 0.852 USER MOD Single : A 92 TYR OH : rot -167:sc= 1.01 USER MOD Single : A 94 ASN : amide:sc= -2.92! C(o=-2.9!,f=-4.2!) USER MOD Single : A 97 TYR OH : rot 58:sc= 0.622 USER MOD Single : A 99 THR OG1 : rot 130:sc= 1.14 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -1.91! K(o=-1.9!,f=0.29) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-3.7!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0185 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.538 -0.533 -7.511 1.00 25.13 N ATOM 50 CA ARG A 4 -6.735 -1.164 -8.053 1.00 0.22 C ATOM 51 C ARG A 4 -6.413 -1.936 -9.329 1.00 4.40 C ATOM 52 O ARG A 4 -6.682 -3.132 -9.427 1.00 74.23 O ATOM 53 CB ARG A 4 -7.807 -0.111 -8.338 1.00 52.41 C ATOM 54 CG ARG A 4 -9.155 -0.701 -8.718 1.00 32.21 C ATOM 55 CD ARG A 4 -10.169 0.386 -9.041 1.00 23.34 C ATOM 56 NE ARG A 4 -11.533 -0.026 -8.721 1.00 50.13 N ATOM 57 CZ ARG A 4 -12.521 0.829 -8.482 1.00 75.31 C ATOM 58 NH1 ARG A 4 -12.298 2.135 -8.526 1.00 72.14 N ATOM 59 NH2 ARG A 4 -13.737 0.377 -8.198 1.00 45.14 N ATOM 0 HA ARG A 4 -7.113 -1.866 -7.310 1.00 0.22 H new ATOM 0 HB2 ARG A 4 -7.931 0.517 -7.456 1.00 52.41 H new ATOM 0 HB3 ARG A 4 -7.463 0.536 -9.145 1.00 52.41 H new ATOM 0 HG2 ARG A 4 -9.036 -1.357 -9.581 1.00 32.21 H new ATOM 0 HG3 ARG A 4 -9.528 -1.316 -7.899 1.00 32.21 H new ATOM 0 HD2 ARG A 4 -9.923 1.289 -8.483 1.00 23.34 H new ATOM 0 HD3 ARG A 4 -10.105 0.638 -10.099 1.00 23.34 H new ATOM 0 HE ARG A 4 -11.738 -1.024 -8.679 1.00 50.13 H new ATOM 0 HH11 ARG A 4 -11.365 2.486 -8.744 1.00 72.14 H new ATOM 0 HH12 ARG A 4 -13.059 2.789 -8.342 1.00 72.14 H new ATOM 0 HH21 ARG A 4 -13.913 -0.627 -8.163 1.00 45.14 H new ATOM 0 HH22 ARG A 4 -14.495 1.034 -8.015 1.00 45.14 H new ATOM 73 N ALA A 5 -5.834 -1.242 -10.304 1.00 15.21 N ATOM 74 CA ALA A 5 -5.474 -1.862 -11.573 1.00 11.11 C ATOM 75 C ALA A 5 -4.635 -3.116 -11.352 1.00 74.23 C ATOM 76 O ALA A 5 -4.819 -4.126 -12.033 1.00 4.05 O ATOM 77 CB ALA A 5 -4.724 -0.871 -12.450 1.00 50.25 C ATOM 0 H ALA A 5 -5.604 -0.250 -10.239 1.00 15.21 H new ATOM 0 HA ALA A 5 -6.393 -2.156 -12.080 1.00 11.11 H new ATOM 0 HB1 ALA A 5 -4.461 -1.347 -13.395 1.00 50.25 H new ATOM 0 HB2 ALA A 5 -5.357 -0.005 -12.644 1.00 50.25 H new ATOM 0 HB3 ALA A 5 -3.815 -0.549 -11.941 1.00 50.25 H new ATOM 83 N LYS A 6 -3.714 -3.046 -10.398 1.00 1.23 N ATOM 84 CA LYS A 6 -2.846 -4.176 -10.086 1.00 54.42 C ATOM 85 C LYS A 6 -3.662 -5.449 -9.886 1.00 10.24 C ATOM 86 O LYS A 6 -3.354 -6.493 -10.461 1.00 12.12 O ATOM 87 CB LYS A 6 -2.023 -3.882 -8.830 1.00 42.42 C ATOM 88 CG LYS A 6 -0.742 -3.114 -9.109 1.00 20.24 C ATOM 89 CD LYS A 6 0.488 -3.962 -8.828 1.00 52.44 C ATOM 90 CE LYS A 6 1.698 -3.098 -8.506 1.00 70.33 C ATOM 91 NZ LYS A 6 2.578 -2.912 -9.693 1.00 53.52 N ATOM 0 H LYS A 6 -3.549 -2.218 -9.826 1.00 1.23 H new ATOM 0 HA LYS A 6 -2.170 -4.327 -10.928 1.00 54.42 H new ATOM 0 HB2 LYS A 6 -2.634 -3.311 -8.131 1.00 42.42 H new ATOM 0 HB3 LYS A 6 -1.773 -4.823 -8.341 1.00 42.42 H new ATOM 0 HG2 LYS A 6 -0.731 -2.788 -10.149 1.00 20.24 H new ATOM 0 HG3 LYS A 6 -0.714 -2.215 -8.493 1.00 20.24 H new ATOM 0 HD2 LYS A 6 0.286 -4.633 -7.993 1.00 52.44 H new ATOM 0 HD3 LYS A 6 0.706 -4.587 -9.694 1.00 52.44 H new ATOM 0 HE2 LYS A 6 1.364 -2.125 -8.145 1.00 70.33 H new ATOM 0 HE3 LYS A 6 2.269 -3.558 -7.699 1.00 70.33 H new ATOM 0 HZ1 LYS A 6 3.391 -2.318 -9.433 1.00 53.52 H new ATOM 0 HZ2 LYS A 6 2.917 -3.838 -10.022 1.00 53.52 H new ATOM 0 HZ3 LYS A 6 2.041 -2.450 -10.454 1.00 53.52 H new ATOM 105 N LYS A 7 -4.705 -5.355 -9.067 1.00 65.31 N ATOM 106 CA LYS A 7 -5.567 -6.498 -8.792 1.00 70.43 C ATOM 107 C LYS A 7 -6.052 -7.138 -10.089 1.00 72.22 C ATOM 108 O LYS A 7 -6.179 -8.359 -10.181 1.00 71.31 O ATOM 109 CB LYS A 7 -6.766 -6.067 -7.945 1.00 3.35 C ATOM 110 CG LYS A 7 -6.892 -6.829 -6.637 1.00 21.02 C ATOM 111 CD LYS A 7 -7.908 -7.954 -6.743 1.00 23.11 C ATOM 112 CE LYS A 7 -8.098 -8.661 -5.410 1.00 2.03 C ATOM 113 NZ LYS A 7 -9.220 -9.639 -5.456 1.00 24.25 N ATOM 0 H LYS A 7 -4.973 -4.499 -8.582 1.00 65.31 H new ATOM 0 HA LYS A 7 -4.985 -7.235 -8.239 1.00 70.43 H new ATOM 0 HB2 LYS A 7 -6.683 -5.002 -7.729 1.00 3.35 H new ATOM 0 HB3 LYS A 7 -7.678 -6.205 -8.525 1.00 3.35 H new ATOM 0 HG2 LYS A 7 -5.921 -7.239 -6.359 1.00 21.02 H new ATOM 0 HG3 LYS A 7 -7.188 -6.144 -5.843 1.00 21.02 H new ATOM 0 HD2 LYS A 7 -8.863 -7.553 -7.082 1.00 23.11 H new ATOM 0 HD3 LYS A 7 -7.580 -8.673 -7.494 1.00 23.11 H new ATOM 0 HE2 LYS A 7 -7.177 -9.177 -5.138 1.00 2.03 H new ATOM 0 HE3 LYS A 7 -8.291 -7.923 -4.632 1.00 2.03 H new ATOM 0 HZ1 LYS A 7 -9.317 -10.100 -4.529 1.00 24.25 H new ATOM 0 HZ2 LYS A 7 -10.104 -9.143 -5.690 1.00 24.25 H new ATOM 0 HZ3 LYS A 7 -9.024 -10.358 -6.181 1.00 24.25 H new ATOM 127 N PHE A 8 -6.321 -6.306 -11.090 1.00 3.01 N ATOM 128 CA PHE A 8 -6.791 -6.791 -12.382 1.00 52.11 C ATOM 129 C PHE A 8 -5.676 -7.516 -13.130 1.00 31.02 C ATOM 130 O PHE A 8 -5.924 -8.486 -13.845 1.00 51.04 O ATOM 131 CB PHE A 8 -7.315 -5.628 -13.227 1.00 42.23 C ATOM 132 CG PHE A 8 -7.714 -6.030 -14.618 1.00 42.35 C ATOM 133 CD1 PHE A 8 -8.914 -6.682 -14.848 1.00 34.43 C ATOM 134 CD2 PHE A 8 -6.889 -5.754 -15.697 1.00 24.41 C ATOM 135 CE1 PHE A 8 -9.283 -7.054 -16.127 1.00 13.13 C ATOM 136 CE2 PHE A 8 -7.253 -6.123 -16.978 1.00 64.23 C ATOM 137 CZ PHE A 8 -8.452 -6.773 -17.193 1.00 51.15 C ATOM 0 H PHE A 8 -6.221 -5.293 -11.031 1.00 3.01 H new ATOM 0 HA PHE A 8 -7.603 -7.496 -12.204 1.00 52.11 H new ATOM 0 HB2 PHE A 8 -8.174 -5.183 -12.725 1.00 42.23 H new ATOM 0 HB3 PHE A 8 -6.546 -4.857 -13.286 1.00 42.23 H new ATOM 0 HD1 PHE A 8 -9.569 -6.902 -14.018 1.00 34.43 H new ATOM 0 HD2 PHE A 8 -5.951 -5.245 -15.535 1.00 24.41 H new ATOM 0 HE1 PHE A 8 -10.221 -7.564 -16.292 1.00 13.13 H new ATOM 0 HE2 PHE A 8 -6.600 -5.903 -17.810 1.00 64.23 H new ATOM 0 HZ PHE A 8 -8.739 -7.061 -18.193 1.00 51.15 H new ATOM 147 N GLN A 9 -4.448 -7.037 -12.958 1.00 72.31 N ATOM 148 CA GLN A 9 -3.295 -7.639 -13.617 1.00 51.25 C ATOM 149 C GLN A 9 -3.081 -9.071 -13.139 1.00 64.15 C ATOM 150 O GLN A 9 -3.008 -10.000 -13.944 1.00 73.01 O ATOM 151 CB GLN A 9 -2.039 -6.807 -13.354 1.00 2.03 C ATOM 152 CG GLN A 9 -1.765 -5.763 -14.424 1.00 44.01 C ATOM 153 CD GLN A 9 -2.207 -4.373 -14.011 1.00 33.21 C ATOM 154 OE1 GLN A 9 -1.479 -3.656 -13.325 1.00 11.53 O ATOM 155 NE2 GLN A 9 -3.407 -3.986 -14.427 1.00 51.54 N ATOM 0 H GLN A 9 -4.226 -6.235 -12.369 1.00 72.31 H new ATOM 0 HA GLN A 9 -3.490 -7.659 -14.689 1.00 51.25 H new ATOM 0 HB2 GLN A 9 -2.139 -6.309 -12.390 1.00 2.03 H new ATOM 0 HB3 GLN A 9 -1.180 -7.474 -13.281 1.00 2.03 H new ATOM 0 HG2 GLN A 9 -0.698 -5.749 -14.648 1.00 44.01 H new ATOM 0 HG3 GLN A 9 -2.280 -6.046 -15.342 1.00 44.01 H new ATOM 0 HE21 GLN A 9 -3.977 -4.613 -14.994 1.00 51.54 H new ATOM 0 HE22 GLN A 9 -3.759 -3.061 -14.179 1.00 51.54 H new ATOM 164 N ARG A 10 -2.979 -9.242 -11.825 1.00 73.24 N ATOM 165 CA ARG A 10 -2.771 -10.561 -11.241 1.00 35.45 C ATOM 166 C ARG A 10 -4.065 -11.370 -11.250 1.00 34.15 C ATOM 167 O ARG A 10 -4.135 -12.454 -10.670 1.00 43.51 O ATOM 168 CB ARG A 10 -2.249 -10.431 -9.809 1.00 22.33 C ATOM 169 CG ARG A 10 -0.762 -10.127 -9.728 1.00 41.34 C ATOM 170 CD ARG A 10 -0.037 -11.122 -8.836 1.00 1.54 C ATOM 171 NE ARG A 10 1.328 -10.696 -8.537 1.00 51.23 N ATOM 172 CZ ARG A 10 2.173 -11.404 -7.796 1.00 42.33 C ATOM 173 NH1 ARG A 10 1.796 -12.566 -7.281 1.00 53.34 N ATOM 174 NH2 ARG A 10 3.399 -10.950 -7.570 1.00 2.45 N ATOM 0 H ARG A 10 -3.037 -8.484 -11.145 1.00 73.24 H new ATOM 0 HA ARG A 10 -2.030 -11.085 -11.845 1.00 35.45 H new ATOM 0 HB2 ARG A 10 -2.801 -9.641 -9.300 1.00 22.33 H new ATOM 0 HB3 ARG A 10 -2.452 -11.358 -9.272 1.00 22.33 H new ATOM 0 HG2 ARG A 10 -0.330 -10.151 -10.728 1.00 41.34 H new ATOM 0 HG3 ARG A 10 -0.616 -9.118 -9.342 1.00 41.34 H new ATOM 0 HD2 ARG A 10 -0.591 -11.245 -7.905 1.00 1.54 H new ATOM 0 HD3 ARG A 10 -0.014 -12.096 -9.324 1.00 1.54 H new ATOM 0 HE ARG A 10 1.650 -9.806 -8.918 1.00 51.23 H new ATOM 0 HH11 ARG A 10 0.855 -12.919 -7.453 1.00 53.34 H new ATOM 0 HH12 ARG A 10 2.447 -13.107 -6.712 1.00 53.34 H new ATOM 0 HH21 ARG A 10 3.693 -10.057 -7.965 1.00 2.45 H new ATOM 0 HH22 ARG A 10 4.047 -11.494 -7.001 1.00 2.45 H new ATOM 188 N GLN A 11 -5.087 -10.835 -11.910 1.00 40.03 N ATOM 189 CA GLN A 11 -6.379 -11.507 -11.993 1.00 45.31 C ATOM 190 C GLN A 11 -6.514 -12.265 -13.309 1.00 71.42 C ATOM 191 O GLN A 11 -6.709 -13.481 -13.320 1.00 21.34 O ATOM 192 CB GLN A 11 -7.515 -10.492 -11.856 1.00 43.34 C ATOM 193 CG GLN A 11 -8.361 -10.690 -10.609 1.00 3.10 C ATOM 194 CD GLN A 11 -9.841 -10.792 -10.918 1.00 72.52 C ATOM 195 OE1 GLN A 11 -10.537 -9.782 -11.023 1.00 43.25 O ATOM 196 NE2 GLN A 11 -10.332 -12.017 -11.066 1.00 20.53 N ATOM 0 H GLN A 11 -5.046 -9.939 -12.395 1.00 40.03 H new ATOM 0 HA GLN A 11 -6.441 -12.224 -11.174 1.00 45.31 H new ATOM 0 HB2 GLN A 11 -7.093 -9.487 -11.843 1.00 43.34 H new ATOM 0 HB3 GLN A 11 -8.157 -10.557 -12.734 1.00 43.34 H new ATOM 0 HG2 GLN A 11 -8.038 -11.595 -10.095 1.00 3.10 H new ATOM 0 HG3 GLN A 11 -8.193 -9.858 -9.925 1.00 3.10 H new ATOM 0 HE21 GLN A 11 -9.719 -12.827 -10.971 1.00 20.53 H new ATOM 0 HE22 GLN A 11 -11.322 -12.148 -11.275 1.00 20.53 H new ATOM 205 N HIS A 12 -6.410 -11.540 -14.418 1.00 53.12 N ATOM 206 CA HIS A 12 -6.521 -12.145 -15.741 1.00 12.03 C ATOM 207 C HIS A 12 -5.227 -11.969 -16.529 1.00 22.00 C ATOM 208 O HIS A 12 -4.808 -12.866 -17.260 1.00 43.44 O ATOM 209 CB HIS A 12 -7.689 -11.528 -16.511 1.00 1.31 C ATOM 210 CG HIS A 12 -8.813 -11.074 -15.632 1.00 33.14 C ATOM 211 ND1 HIS A 12 -9.986 -11.784 -15.484 1.00 15.51 N ATOM 212 CD2 HIS A 12 -8.938 -9.976 -14.850 1.00 33.21 C ATOM 213 CE1 HIS A 12 -10.785 -11.141 -14.651 1.00 12.32 C ATOM 214 NE2 HIS A 12 -10.173 -10.041 -14.251 1.00 45.13 N ATOM 0 H HIS A 12 -6.249 -10.533 -14.427 1.00 53.12 H new ATOM 0 HA HIS A 12 -6.704 -13.212 -15.611 1.00 12.03 H new ATOM 0 HB2 HIS A 12 -7.324 -10.678 -17.088 1.00 1.31 H new ATOM 0 HB3 HIS A 12 -8.069 -12.259 -17.225 1.00 1.31 H new ATOM 0 HD2 HIS A 12 -8.204 -9.195 -14.721 1.00 33.21 H new ATOM 0 HE1 HIS A 12 -11.771 -11.461 -14.348 1.00 12.32 H new ATOM 0 HE2 HIS A 12 -10.555 -9.352 -13.603 1.00 45.13 H new ATOM 222 N MET A 13 -4.599 -10.808 -16.375 1.00 11.21 N ATOM 223 CA MET A 13 -3.352 -10.515 -17.072 1.00 72.23 C ATOM 224 C MET A 13 -2.243 -11.461 -16.623 1.00 72.44 C ATOM 225 O MET A 13 -1.664 -11.289 -15.551 1.00 32.54 O ATOM 226 CB MET A 13 -2.933 -9.065 -16.825 1.00 4.14 C ATOM 227 CG MET A 13 -4.072 -8.070 -16.968 1.00 54.42 C ATOM 228 SD MET A 13 -4.905 -8.192 -18.563 1.00 44.31 S ATOM 229 CE MET A 13 -3.530 -7.933 -19.683 1.00 35.25 C ATOM 0 H MET A 13 -4.933 -10.055 -15.774 1.00 11.21 H new ATOM 0 HA MET A 13 -3.519 -10.660 -18.139 1.00 72.23 H new ATOM 0 HB2 MET A 13 -2.513 -8.983 -15.822 1.00 4.14 H new ATOM 0 HB3 MET A 13 -2.140 -8.800 -17.525 1.00 4.14 H new ATOM 0 HG2 MET A 13 -4.796 -8.236 -16.171 1.00 54.42 H new ATOM 0 HG3 MET A 13 -3.684 -7.059 -16.841 1.00 54.42 H new ATOM 0 HE1 MET A 13 -3.909 -7.645 -20.664 1.00 35.25 H new ATOM 0 HE2 MET A 13 -2.889 -7.142 -19.295 1.00 35.25 H new ATOM 0 HE3 MET A 13 -2.955 -8.855 -19.773 1.00 35.25 H new ATOM 239 N ASP A 14 -1.953 -12.460 -17.450 1.00 42.32 N ATOM 240 CA ASP A 14 -0.912 -13.433 -17.138 1.00 55.12 C ATOM 241 C ASP A 14 0.222 -13.360 -18.155 1.00 5.11 C ATOM 242 O ASP A 14 1.022 -14.288 -18.276 1.00 32.24 O ATOM 243 CB ASP A 14 -1.498 -14.846 -17.109 1.00 41.45 C ATOM 244 CG ASP A 14 -0.998 -15.655 -15.929 1.00 73.42 C ATOM 245 OD1 ASP A 14 0.206 -15.985 -15.904 1.00 34.43 O ATOM 246 OD2 ASP A 14 -1.812 -15.960 -15.031 1.00 65.04 O ATOM 0 H ASP A 14 -2.424 -12.617 -18.341 1.00 42.32 H new ATOM 0 HA ASP A 14 -0.509 -13.195 -16.154 1.00 55.12 H new ATOM 0 HB2 ASP A 14 -2.586 -14.785 -17.069 1.00 41.45 H new ATOM 0 HB3 ASP A 14 -1.242 -15.362 -18.034 1.00 41.45 H new ATOM 251 N SER A 15 0.286 -12.251 -18.885 1.00 10.23 N ATOM 252 CA SER A 15 1.320 -12.059 -19.895 1.00 10.52 C ATOM 253 C SER A 15 2.621 -12.737 -19.477 1.00 33.43 C ATOM 254 O SER A 15 3.276 -13.398 -20.283 1.00 32.53 O ATOM 255 CB SER A 15 1.563 -10.566 -20.129 1.00 74.31 C ATOM 256 OG SER A 15 2.082 -9.945 -18.966 1.00 20.30 O ATOM 0 H SER A 15 -0.366 -11.472 -18.796 1.00 10.23 H new ATOM 0 HA SER A 15 0.975 -12.514 -20.823 1.00 10.52 H new ATOM 0 HB2 SER A 15 2.259 -10.433 -20.957 1.00 74.31 H new ATOM 0 HB3 SER A 15 0.629 -10.083 -20.417 1.00 74.31 H new ATOM 0 HG SER A 15 2.230 -8.992 -19.142 1.00 20.30 H new ATOM 262 N ASP A 16 2.988 -12.569 -18.211 1.00 42.13 N ATOM 263 CA ASP A 16 4.210 -13.166 -17.684 1.00 50.50 C ATOM 264 C ASP A 16 4.451 -14.542 -18.297 1.00 1.41 C ATOM 265 O ASP A 16 5.539 -14.827 -18.797 1.00 22.55 O ATOM 266 CB ASP A 16 4.131 -13.279 -16.161 1.00 5.42 C ATOM 267 CG ASP A 16 2.716 -13.511 -15.670 1.00 21.13 C ATOM 268 OD1 ASP A 16 2.153 -14.584 -15.971 1.00 30.13 O ATOM 269 OD2 ASP A 16 2.171 -12.620 -14.985 1.00 43.20 O ATOM 0 H ASP A 16 2.457 -12.025 -17.531 1.00 42.13 H new ATOM 0 HA ASP A 16 5.046 -12.519 -17.950 1.00 50.50 H new ATOM 0 HB2 ASP A 16 4.767 -14.099 -15.827 1.00 5.42 H new ATOM 0 HB3 ASP A 16 4.524 -12.367 -15.711 1.00 5.42 H new ATOM 274 N SER A 17 3.429 -15.390 -18.254 1.00 22.43 N ATOM 275 CA SER A 17 3.532 -16.738 -18.800 1.00 75.42 C ATOM 276 C SER A 17 3.418 -16.718 -20.321 1.00 52.05 C ATOM 277 O SER A 17 3.037 -15.708 -20.913 1.00 0.20 O ATOM 278 CB SER A 17 2.443 -17.636 -18.208 1.00 51.40 C ATOM 279 OG SER A 17 2.974 -18.492 -17.212 1.00 61.30 O ATOM 0 H SER A 17 2.521 -15.168 -17.847 1.00 22.43 H new ATOM 0 HA SER A 17 4.509 -17.138 -18.531 1.00 75.42 H new ATOM 0 HB2 SER A 17 1.653 -17.020 -17.779 1.00 51.40 H new ATOM 0 HB3 SER A 17 1.988 -18.232 -19.000 1.00 51.40 H new ATOM 0 HG SER A 17 2.258 -19.054 -16.848 1.00 61.30 H new ATOM 285 N SER A 18 3.751 -17.842 -20.949 1.00 0.53 N ATOM 286 CA SER A 18 3.691 -17.953 -22.401 1.00 54.24 C ATOM 287 C SER A 18 2.467 -18.754 -22.834 1.00 72.34 C ATOM 288 O SER A 18 1.798 -19.399 -22.027 1.00 32.42 O ATOM 289 CB SER A 18 4.962 -18.613 -22.937 1.00 25.43 C ATOM 290 OG SER A 18 5.762 -17.682 -23.644 1.00 42.40 O ATOM 0 H SER A 18 4.065 -18.688 -20.474 1.00 0.53 H new ATOM 0 HA SER A 18 3.611 -16.948 -22.814 1.00 54.24 H new ATOM 0 HB2 SER A 18 5.534 -19.034 -22.110 1.00 25.43 H new ATOM 0 HB3 SER A 18 4.696 -19.441 -23.594 1.00 25.43 H new ATOM 0 HG SER A 18 6.569 -18.129 -23.975 1.00 42.40 H new ATOM 296 N PRO A 19 2.166 -18.713 -24.141 1.00 33.42 N ATOM 297 CA PRO A 19 1.022 -19.430 -24.712 1.00 53.03 C ATOM 298 C PRO A 19 1.222 -20.942 -24.706 1.00 4.53 C ATOM 299 O PRO A 19 2.092 -21.459 -24.004 1.00 53.22 O ATOM 300 CB PRO A 19 0.956 -18.905 -26.149 1.00 24.51 C ATOM 301 CG PRO A 19 2.347 -18.469 -26.457 1.00 22.44 C ATOM 302 CD PRO A 19 2.919 -17.965 -25.161 1.00 2.23 C ATOM 0 HA PRO A 19 0.110 -19.263 -24.140 1.00 53.03 H new ATOM 0 HB2 PRO A 19 0.622 -19.680 -26.839 1.00 24.51 H new ATOM 0 HB3 PRO A 19 0.253 -18.077 -26.236 1.00 24.51 H new ATOM 0 HG2 PRO A 19 2.938 -19.297 -26.849 1.00 22.44 H new ATOM 0 HG3 PRO A 19 2.352 -17.687 -27.216 1.00 22.44 H new ATOM 0 HD2 PRO A 19 3.989 -18.158 -25.092 1.00 2.23 H new ATOM 0 HD3 PRO A 19 2.782 -16.889 -25.053 1.00 2.23 H new ATOM 310 N SER A 20 0.413 -21.645 -25.492 1.00 4.24 N ATOM 311 CA SER A 20 0.500 -23.098 -25.574 1.00 25.14 C ATOM 312 C SER A 20 0.067 -23.743 -24.261 1.00 33.22 C ATOM 313 O SER A 20 0.749 -24.621 -23.733 1.00 33.52 O ATOM 314 CB SER A 20 1.928 -23.526 -25.918 1.00 24.01 C ATOM 315 OG SER A 20 1.990 -24.912 -26.205 1.00 60.33 O ATOM 0 H SER A 20 -0.310 -21.232 -26.081 1.00 4.24 H new ATOM 0 HA SER A 20 -0.173 -23.433 -26.363 1.00 25.14 H new ATOM 0 HB2 SER A 20 2.284 -22.957 -26.777 1.00 24.01 H new ATOM 0 HB3 SER A 20 2.591 -23.294 -25.085 1.00 24.01 H new ATOM 0 HG SER A 20 1.659 -25.421 -25.435 1.00 60.33 H new ATOM 321 N SER A 21 -1.073 -23.300 -23.739 1.00 61.43 N ATOM 322 CA SER A 21 -1.597 -23.831 -22.486 1.00 52.22 C ATOM 323 C SER A 21 -2.843 -24.675 -22.733 1.00 75.51 C ATOM 324 O SER A 21 -3.935 -24.145 -22.943 1.00 25.44 O ATOM 325 CB SER A 21 -1.924 -22.689 -21.522 1.00 22.24 C ATOM 326 OG SER A 21 -2.786 -21.741 -22.127 1.00 22.13 O ATOM 0 H SER A 21 -1.651 -22.575 -24.164 1.00 61.43 H new ATOM 0 HA SER A 21 -0.832 -24.466 -22.040 1.00 52.22 H new ATOM 0 HB2 SER A 21 -2.393 -23.090 -20.624 1.00 22.24 H new ATOM 0 HB3 SER A 21 -1.002 -22.199 -21.208 1.00 22.24 H new ATOM 0 HG SER A 21 -3.533 -22.206 -22.558 1.00 22.13 H new ATOM 332 N SER A 22 -2.672 -25.993 -22.707 1.00 33.33 N ATOM 333 CA SER A 22 -3.782 -26.913 -22.931 1.00 45.12 C ATOM 334 C SER A 22 -4.024 -27.782 -21.701 1.00 13.11 C ATOM 335 O SER A 22 -5.167 -28.079 -21.353 1.00 0.02 O ATOM 336 CB SER A 22 -3.500 -27.798 -24.147 1.00 51.31 C ATOM 337 OG SER A 22 -4.492 -28.799 -24.290 1.00 33.45 O ATOM 0 H SER A 22 -1.776 -26.448 -22.533 1.00 33.33 H new ATOM 0 HA SER A 22 -4.679 -26.323 -23.119 1.00 45.12 H new ATOM 0 HB2 SER A 22 -3.466 -27.184 -25.047 1.00 51.31 H new ATOM 0 HB3 SER A 22 -2.521 -28.265 -24.042 1.00 51.31 H new ATOM 0 HG SER A 22 -4.290 -29.350 -25.075 1.00 33.45 H new ATOM 343 N SER A 23 -2.940 -28.186 -21.047 1.00 32.34 N ATOM 344 CA SER A 23 -3.034 -29.025 -19.857 1.00 44.32 C ATOM 345 C SER A 23 -3.729 -28.280 -18.721 1.00 60.43 C ATOM 346 O SER A 23 -4.258 -27.185 -18.912 1.00 52.13 O ATOM 347 CB SER A 23 -1.640 -29.471 -19.412 1.00 21.35 C ATOM 348 OG SER A 23 -0.933 -28.405 -18.803 1.00 43.42 O ATOM 0 H SER A 23 -1.987 -27.946 -21.320 1.00 32.34 H new ATOM 0 HA SER A 23 -3.627 -29.905 -20.107 1.00 44.32 H new ATOM 0 HB2 SER A 23 -1.727 -30.301 -18.711 1.00 21.35 H new ATOM 0 HB3 SER A 23 -1.080 -29.838 -20.272 1.00 21.35 H new ATOM 0 HG SER A 23 -0.046 -28.717 -18.526 1.00 43.42 H new ATOM 354 N THR A 24 -3.724 -28.884 -17.537 1.00 12.35 N ATOM 355 CA THR A 24 -4.355 -28.281 -16.369 1.00 44.41 C ATOM 356 C THR A 24 -3.660 -26.981 -15.979 1.00 24.22 C ATOM 357 O THR A 24 -3.924 -26.419 -14.916 1.00 34.33 O ATOM 358 CB THR A 24 -4.339 -29.240 -15.164 1.00 13.30 C ATOM 359 OG1 THR A 24 -3.004 -29.381 -14.667 1.00 63.23 O ATOM 360 CG2 THR A 24 -4.889 -30.604 -15.551 1.00 61.34 C ATOM 0 H THR A 24 -3.290 -29.790 -17.361 1.00 12.35 H new ATOM 0 HA THR A 24 -5.389 -28.070 -16.642 1.00 44.41 H new ATOM 0 HB THR A 24 -4.973 -28.818 -14.384 1.00 13.30 H new ATOM 0 HG1 THR A 24 -3.003 -29.991 -13.900 1.00 63.23 H new ATOM 0 HG21 THR A 24 -4.868 -31.264 -14.684 1.00 61.34 H new ATOM 0 HG22 THR A 24 -5.916 -30.497 -15.900 1.00 61.34 H new ATOM 0 HG23 THR A 24 -4.278 -31.030 -16.347 1.00 61.34 H new ATOM 368 N TYR A 25 -2.770 -26.508 -16.845 1.00 35.12 N ATOM 369 CA TYR A 25 -2.036 -25.275 -16.589 1.00 41.13 C ATOM 370 C TYR A 25 -2.882 -24.294 -15.783 1.00 24.13 C ATOM 371 O TYR A 25 -2.367 -23.558 -14.941 1.00 25.15 O ATOM 372 CB TYR A 25 -1.606 -24.630 -17.908 1.00 62.10 C ATOM 373 CG TYR A 25 -1.555 -23.120 -17.855 1.00 43.13 C ATOM 374 CD1 TYR A 25 -2.702 -22.360 -18.044 1.00 54.52 C ATOM 375 CD2 TYR A 25 -0.359 -22.453 -17.618 1.00 32.23 C ATOM 376 CE1 TYR A 25 -2.661 -20.979 -17.998 1.00 24.44 C ATOM 377 CE2 TYR A 25 -0.308 -21.074 -17.568 1.00 13.31 C ATOM 378 CZ TYR A 25 -1.461 -20.341 -17.759 1.00 34.23 C ATOM 379 OH TYR A 25 -1.415 -18.967 -17.711 1.00 45.23 O ATOM 0 H TYR A 25 -2.540 -26.960 -17.730 1.00 35.12 H new ATOM 0 HA TYR A 25 -1.149 -25.525 -16.007 1.00 41.13 H new ATOM 0 HB2 TYR A 25 -0.622 -25.009 -18.184 1.00 62.10 H new ATOM 0 HB3 TYR A 25 -2.297 -24.935 -18.694 1.00 62.10 H new ATOM 0 HD1 TYR A 25 -3.643 -22.857 -18.230 1.00 54.52 H new ATOM 0 HD2 TYR A 25 0.546 -23.023 -17.470 1.00 32.23 H new ATOM 0 HE1 TYR A 25 -3.562 -20.403 -18.148 1.00 24.44 H new ATOM 0 HE2 TYR A 25 0.630 -20.572 -17.380 1.00 13.31 H new ATOM 0 HH TYR A 25 -1.054 -18.682 -16.846 1.00 45.23 H new ATOM 389 N CYS A 26 -4.184 -24.290 -16.046 1.00 60.43 N ATOM 390 CA CYS A 26 -5.104 -23.402 -15.347 1.00 3.34 C ATOM 391 C CYS A 26 -5.315 -23.862 -13.907 1.00 11.50 C ATOM 392 O CYS A 26 -5.077 -23.109 -12.963 1.00 71.31 O ATOM 393 CB CYS A 26 -6.446 -23.345 -16.078 1.00 14.22 C ATOM 394 SG CYS A 26 -6.497 -22.145 -17.447 1.00 41.25 S ATOM 0 H CYS A 26 -4.626 -24.893 -16.740 1.00 60.43 H new ATOM 0 HA CYS A 26 -4.665 -22.404 -15.331 1.00 3.34 H new ATOM 0 HB2 CYS A 26 -6.677 -24.336 -16.469 1.00 14.22 H new ATOM 0 HB3 CYS A 26 -7.228 -23.095 -15.361 1.00 14.22 H new ATOM 399 N ASN A 27 -5.764 -25.103 -13.748 1.00 4.51 N ATOM 400 CA ASN A 27 -6.008 -25.663 -12.424 1.00 25.21 C ATOM 401 C ASN A 27 -5.022 -25.100 -11.405 1.00 10.24 C ATOM 402 O ASN A 27 -5.422 -24.504 -10.405 1.00 23.35 O ATOM 403 CB ASN A 27 -5.899 -27.189 -12.465 1.00 52.24 C ATOM 404 CG ASN A 27 -5.965 -27.811 -11.084 1.00 11.00 C ATOM 405 OD1 ASN A 27 -6.037 -27.107 -10.077 1.00 15.23 O ATOM 406 ND2 ASN A 27 -5.940 -29.138 -11.031 1.00 11.41 N ATOM 0 H ASN A 27 -5.966 -25.739 -14.519 1.00 4.51 H new ATOM 0 HA ASN A 27 -7.017 -25.385 -12.120 1.00 25.21 H new ATOM 0 HB2 ASN A 27 -6.704 -27.591 -13.080 1.00 52.24 H new ATOM 0 HB3 ASN A 27 -4.961 -27.471 -12.943 1.00 52.24 H new ATOM 0 HD21 ASN A 27 -5.981 -29.613 -10.129 1.00 11.41 H new ATOM 0 HD22 ASN A 27 -5.880 -29.682 -11.892 1.00 11.41 H new ATOM 413 N GLN A 28 -3.733 -25.292 -11.667 1.00 33.23 N ATOM 414 CA GLN A 28 -2.691 -24.803 -10.772 1.00 20.10 C ATOM 415 C GLN A 28 -2.544 -23.289 -10.883 1.00 72.14 C ATOM 416 O GLN A 28 -2.658 -22.570 -9.891 1.00 73.32 O ATOM 417 CB GLN A 28 -1.357 -25.481 -11.090 1.00 32.45 C ATOM 418 CG GLN A 28 -1.153 -26.796 -10.353 1.00 45.52 C ATOM 419 CD GLN A 28 -0.101 -27.672 -11.005 1.00 75.20 C ATOM 420 OE1 GLN A 28 0.966 -27.907 -10.438 1.00 60.31 O ATOM 421 NE2 GLN A 28 -0.399 -28.162 -12.203 1.00 45.31 N ATOM 0 H GLN A 28 -3.386 -25.782 -12.491 1.00 33.23 H new ATOM 0 HA GLN A 28 -2.981 -25.048 -9.750 1.00 20.10 H new ATOM 0 HB2 GLN A 28 -1.298 -25.662 -12.163 1.00 32.45 H new ATOM 0 HB3 GLN A 28 -0.544 -24.801 -10.836 1.00 32.45 H new ATOM 0 HG2 GLN A 28 -0.862 -26.590 -9.323 1.00 45.52 H new ATOM 0 HG3 GLN A 28 -2.098 -27.337 -10.314 1.00 45.52 H new ATOM 0 HE21 GLN A 28 -1.296 -27.941 -12.636 1.00 45.31 H new ATOM 0 HE22 GLN A 28 0.269 -28.759 -12.690 1.00 45.31 H new ATOM 430 N MET A 29 -2.290 -22.812 -12.098 1.00 32.04 N ATOM 431 CA MET A 29 -2.129 -21.383 -12.338 1.00 43.22 C ATOM 432 C MET A 29 -3.041 -20.571 -11.424 1.00 73.14 C ATOM 433 O MET A 29 -2.572 -19.777 -10.610 1.00 50.42 O ATOM 434 CB MET A 29 -2.429 -21.053 -13.802 1.00 21.14 C ATOM 435 CG MET A 29 -1.235 -21.239 -14.724 1.00 22.12 C ATOM 436 SD MET A 29 -0.290 -19.720 -14.952 1.00 20.44 S ATOM 437 CE MET A 29 0.351 -19.469 -13.298 1.00 62.31 C ATOM 0 H MET A 29 -2.191 -23.394 -12.930 1.00 32.04 H new ATOM 0 HA MET A 29 -1.095 -21.118 -12.118 1.00 43.22 H new ATOM 0 HB2 MET A 29 -3.247 -21.685 -14.148 1.00 21.14 H new ATOM 0 HB3 MET A 29 -2.773 -20.021 -13.870 1.00 21.14 H new ATOM 0 HG2 MET A 29 -0.582 -22.011 -14.316 1.00 22.12 H new ATOM 0 HG3 MET A 29 -1.582 -21.596 -15.694 1.00 22.12 H new ATOM 0 HE1 MET A 29 1.096 -18.674 -13.313 1.00 62.31 H new ATOM 0 HE2 MET A 29 -0.464 -19.190 -12.630 1.00 62.31 H new ATOM 0 HE3 MET A 29 0.812 -20.391 -12.943 1.00 62.31 H new ATOM 447 N MET A 30 -4.347 -20.776 -11.566 1.00 22.34 N ATOM 448 CA MET A 30 -5.324 -20.064 -10.751 1.00 55.55 C ATOM 449 C MET A 30 -5.027 -20.240 -9.266 1.00 3.42 C ATOM 450 O MET A 30 -5.205 -19.314 -8.474 1.00 32.34 O ATOM 451 CB MET A 30 -6.738 -20.560 -11.063 1.00 2.34 C ATOM 452 CG MET A 30 -7.497 -19.665 -12.029 1.00 12.35 C ATOM 453 SD MET A 30 -8.387 -18.338 -11.193 1.00 1.25 S ATOM 454 CE MET A 30 -7.252 -16.971 -11.424 1.00 34.32 C ATOM 0 H MET A 30 -4.752 -21.429 -12.237 1.00 22.34 H new ATOM 0 HA MET A 30 -5.257 -19.003 -10.992 1.00 55.55 H new ATOM 0 HB2 MET A 30 -6.678 -21.564 -11.482 1.00 2.34 H new ATOM 0 HB3 MET A 30 -7.301 -20.636 -10.133 1.00 2.34 H new ATOM 0 HG2 MET A 30 -6.797 -19.233 -12.745 1.00 12.35 H new ATOM 0 HG3 MET A 30 -8.204 -20.269 -12.599 1.00 12.35 H new ATOM 0 HE1 MET A 30 -7.781 -16.030 -11.275 1.00 34.32 H new ATOM 0 HE2 MET A 30 -6.438 -17.048 -10.703 1.00 34.32 H new ATOM 0 HE3 MET A 30 -6.845 -17.003 -12.435 1.00 34.32 H new ATOM 464 N ARG A 31 -4.573 -21.432 -8.895 1.00 63.42 N ATOM 465 CA ARG A 31 -4.252 -21.729 -7.504 1.00 61.44 C ATOM 466 C ARG A 31 -3.005 -20.971 -7.060 1.00 43.21 C ATOM 467 O ARG A 31 -2.896 -20.558 -5.905 1.00 44.04 O ATOM 468 CB ARG A 31 -4.041 -23.233 -7.317 1.00 50.02 C ATOM 469 CG ARG A 31 -3.365 -23.594 -6.005 1.00 23.41 C ATOM 470 CD ARG A 31 -2.053 -24.328 -6.238 1.00 10.33 C ATOM 471 NE ARG A 31 -1.490 -24.851 -4.996 1.00 15.24 N ATOM 472 CZ ARG A 31 -0.537 -25.774 -4.952 1.00 62.44 C ATOM 473 NH1 ARG A 31 -0.042 -26.274 -6.076 1.00 44.23 N ATOM 474 NH2 ARG A 31 -0.076 -26.200 -3.783 1.00 71.00 N ATOM 0 H ARG A 31 -4.419 -22.208 -9.538 1.00 63.42 H new ATOM 0 HA ARG A 31 -5.091 -21.407 -6.887 1.00 61.44 H new ATOM 0 HB2 ARG A 31 -5.007 -23.736 -7.369 1.00 50.02 H new ATOM 0 HB3 ARG A 31 -3.439 -23.612 -8.143 1.00 50.02 H new ATOM 0 HG2 ARG A 31 -3.179 -22.688 -5.429 1.00 23.41 H new ATOM 0 HG3 ARG A 31 -4.032 -24.218 -5.410 1.00 23.41 H new ATOM 0 HD2 ARG A 31 -2.216 -25.149 -6.936 1.00 10.33 H new ATOM 0 HD3 ARG A 31 -1.337 -23.651 -6.704 1.00 10.33 H new ATOM 0 HE ARG A 31 -1.849 -24.487 -4.113 1.00 15.24 H new ATOM 0 HH11 ARG A 31 -0.393 -25.949 -6.977 1.00 44.23 H new ATOM 0 HH12 ARG A 31 0.690 -26.983 -6.040 1.00 44.23 H new ATOM 0 HH21 ARG A 31 -0.454 -25.818 -2.916 1.00 71.00 H new ATOM 0 HH22 ARG A 31 0.656 -26.909 -3.751 1.00 71.00 H new ATOM 488 N ARG A 32 -2.067 -20.792 -7.984 1.00 42.45 N ATOM 489 CA ARG A 32 -0.827 -20.085 -7.688 1.00 2.43 C ATOM 490 C ARG A 32 -1.098 -18.612 -7.395 1.00 45.31 C ATOM 491 O ARG A 32 -0.303 -17.944 -6.732 1.00 73.13 O ATOM 492 CB ARG A 32 0.150 -20.212 -8.858 1.00 3.22 C ATOM 493 CG ARG A 32 1.536 -19.664 -8.557 1.00 13.22 C ATOM 494 CD ARG A 32 2.590 -20.758 -8.605 1.00 23.33 C ATOM 495 NE ARG A 32 3.682 -20.508 -7.668 1.00 2.23 N ATOM 496 CZ ARG A 32 4.729 -19.740 -7.948 1.00 1.33 C ATOM 497 NH1 ARG A 32 4.825 -19.150 -9.131 1.00 43.12 N ATOM 498 NH2 ARG A 32 5.683 -19.560 -7.042 1.00 55.24 N ATOM 0 H ARG A 32 -2.142 -21.127 -8.944 1.00 42.45 H new ATOM 0 HA ARG A 32 -0.382 -20.538 -6.802 1.00 2.43 H new ATOM 0 HB2 ARG A 32 0.236 -21.262 -9.136 1.00 3.22 H new ATOM 0 HB3 ARG A 32 -0.260 -19.687 -9.721 1.00 3.22 H new ATOM 0 HG2 ARG A 32 1.785 -18.885 -9.278 1.00 13.22 H new ATOM 0 HG3 ARG A 32 1.538 -19.198 -7.572 1.00 13.22 H new ATOM 0 HD2 ARG A 32 2.127 -21.718 -8.374 1.00 23.33 H new ATOM 0 HD3 ARG A 32 2.990 -20.832 -9.616 1.00 23.33 H new ATOM 0 HE ARG A 32 3.638 -20.947 -6.748 1.00 2.23 H new ATOM 0 HH11 ARG A 32 4.094 -19.285 -9.829 1.00 43.12 H new ATOM 0 HH12 ARG A 32 5.630 -18.561 -9.343 1.00 43.12 H new ATOM 0 HH21 ARG A 32 5.612 -20.012 -6.130 1.00 55.24 H new ATOM 0 HH22 ARG A 32 6.487 -18.970 -7.258 1.00 55.24 H new ATOM 512 N ARG A 33 -2.223 -18.112 -7.894 1.00 52.32 N ATOM 513 CA ARG A 33 -2.598 -16.718 -7.688 1.00 4.21 C ATOM 514 C ARG A 33 -3.264 -16.529 -6.328 1.00 73.43 C ATOM 515 O ARG A 33 -3.938 -15.528 -6.090 1.00 73.31 O ATOM 516 CB ARG A 33 -3.540 -16.251 -8.799 1.00 2.21 C ATOM 517 CG ARG A 33 -2.988 -16.471 -10.198 1.00 1.30 C ATOM 518 CD ARG A 33 -2.047 -15.349 -10.608 1.00 43.12 C ATOM 519 NE ARG A 33 -1.055 -15.796 -11.583 1.00 3.44 N ATOM 520 CZ ARG A 33 0.120 -15.202 -11.760 1.00 3.01 C ATOM 521 NH1 ARG A 33 0.449 -14.143 -11.032 1.00 74.51 N ATOM 522 NH2 ARG A 33 0.970 -15.667 -12.667 1.00 20.44 N ATOM 0 H ARG A 33 -2.891 -18.651 -8.444 1.00 52.32 H new ATOM 0 HA ARG A 33 -1.690 -16.116 -7.715 1.00 4.21 H new ATOM 0 HB2 ARG A 33 -4.489 -16.779 -8.705 1.00 2.21 H new ATOM 0 HB3 ARG A 33 -3.750 -15.190 -8.663 1.00 2.21 H new ATOM 0 HG2 ARG A 33 -2.459 -17.423 -10.236 1.00 1.30 H new ATOM 0 HG3 ARG A 33 -3.811 -16.535 -10.909 1.00 1.30 H new ATOM 0 HD2 ARG A 33 -2.625 -14.527 -11.030 1.00 43.12 H new ATOM 0 HD3 ARG A 33 -1.539 -14.961 -9.725 1.00 43.12 H new ATOM 0 HE ARG A 33 -1.277 -16.608 -12.159 1.00 3.44 H new ATOM 0 HH11 ARG A 33 -0.201 -13.782 -10.334 1.00 74.51 H new ATOM 0 HH12 ARG A 33 1.352 -13.689 -11.171 1.00 74.51 H new ATOM 0 HH21 ARG A 33 0.721 -16.481 -13.229 1.00 20.44 H new ATOM 0 HH22 ARG A 33 1.872 -15.210 -12.802 1.00 20.44 H new ATOM 536 N ASN A 34 -3.071 -17.500 -5.441 1.00 1.43 N ATOM 537 CA ASN A 34 -3.654 -17.441 -4.105 1.00 74.34 C ATOM 538 C ASN A 34 -5.170 -17.287 -4.180 1.00 54.44 C ATOM 539 O ASN A 34 -5.777 -16.607 -3.353 1.00 4.11 O ATOM 540 CB ASN A 34 -3.051 -16.280 -3.313 1.00 23.23 C ATOM 541 CG ASN A 34 -1.538 -16.358 -3.235 1.00 12.12 C ATOM 542 OD1 ASN A 34 -0.929 -17.311 -3.720 1.00 63.13 O ATOM 543 ND2 ASN A 34 -0.925 -15.352 -2.621 1.00 70.34 N ATOM 0 H ASN A 34 -2.516 -18.336 -5.623 1.00 1.43 H new ATOM 0 HA ASN A 34 -3.426 -18.377 -3.595 1.00 74.34 H new ATOM 0 HB2 ASN A 34 -3.340 -15.338 -3.778 1.00 23.23 H new ATOM 0 HB3 ASN A 34 -3.465 -16.278 -2.305 1.00 23.23 H new ATOM 0 HD21 ASN A 34 0.092 -15.349 -2.537 1.00 70.34 H new ATOM 0 HD22 ASN A 34 -1.471 -14.582 -2.234 1.00 70.34 H new ATOM 550 N MET A 35 -5.776 -17.923 -5.178 1.00 1.41 N ATOM 551 CA MET A 35 -7.221 -17.857 -5.360 1.00 33.11 C ATOM 552 C MET A 35 -7.888 -19.146 -4.889 1.00 5.13 C ATOM 553 O MET A 35 -9.108 -19.207 -4.738 1.00 33.30 O ATOM 554 CB MET A 35 -7.561 -17.602 -6.830 1.00 2.44 C ATOM 555 CG MET A 35 -6.926 -16.339 -7.389 1.00 63.14 C ATOM 556 SD MET A 35 -7.528 -14.843 -6.584 1.00 10.32 S ATOM 557 CE MET A 35 -7.107 -13.606 -7.809 1.00 3.33 C ATOM 0 H MET A 35 -5.289 -18.489 -5.872 1.00 1.41 H new ATOM 0 HA MET A 35 -7.600 -17.031 -4.758 1.00 33.11 H new ATOM 0 HB2 MET A 35 -7.235 -18.456 -7.424 1.00 2.44 H new ATOM 0 HB3 MET A 35 -8.643 -17.533 -6.938 1.00 2.44 H new ATOM 0 HG2 MET A 35 -5.844 -16.399 -7.272 1.00 63.14 H new ATOM 0 HG3 MET A 35 -7.129 -16.278 -8.458 1.00 63.14 H new ATOM 0 HE1 MET A 35 -7.418 -12.623 -7.455 1.00 3.33 H new ATOM 0 HE2 MET A 35 -6.029 -13.609 -7.973 1.00 3.33 H new ATOM 0 HE3 MET A 35 -7.617 -13.832 -8.745 1.00 3.33 H new ATOM 567 N THR A 36 -7.078 -20.175 -4.657 1.00 73.15 N ATOM 568 CA THR A 36 -7.589 -21.463 -4.205 1.00 55.31 C ATOM 569 C THR A 36 -7.099 -21.786 -2.799 1.00 4.25 C ATOM 570 O THR A 36 -7.138 -22.938 -2.368 1.00 1.24 O ATOM 571 CB THR A 36 -7.170 -22.599 -5.156 1.00 73.35 C ATOM 572 OG1 THR A 36 -5.797 -22.940 -4.937 1.00 61.22 O ATOM 573 CG2 THR A 36 -7.371 -22.192 -6.608 1.00 53.42 C ATOM 0 H THR A 36 -6.065 -20.141 -4.775 1.00 73.15 H new ATOM 0 HA THR A 36 -8.676 -21.387 -4.199 1.00 55.31 H new ATOM 0 HB THR A 36 -7.797 -23.466 -4.948 1.00 73.35 H new ATOM 0 HG1 THR A 36 -5.744 -23.724 -4.351 1.00 61.22 H new ATOM 0 HG21 THR A 36 -7.068 -23.011 -7.261 1.00 53.42 H new ATOM 0 HG22 THR A 36 -8.423 -21.962 -6.779 1.00 53.42 H new ATOM 0 HG23 THR A 36 -6.767 -21.312 -6.826 1.00 53.42 H new ATOM 581 N GLN A 37 -6.638 -20.762 -2.088 1.00 5.41 N ATOM 582 CA GLN A 37 -6.139 -20.938 -0.729 1.00 70.11 C ATOM 583 C GLN A 37 -7.186 -21.613 0.151 1.00 24.13 C ATOM 584 O GLN A 37 -6.897 -22.594 0.835 1.00 60.53 O ATOM 585 CB GLN A 37 -5.744 -19.588 -0.129 1.00 15.34 C ATOM 586 CG GLN A 37 -4.243 -19.356 -0.087 1.00 4.02 C ATOM 587 CD GLN A 37 -3.691 -19.358 1.325 1.00 22.52 C ATOM 588 OE1 GLN A 37 -4.257 -19.980 2.224 1.00 35.34 O ATOM 589 NE2 GLN A 37 -2.579 -18.661 1.528 1.00 61.42 N ATOM 0 H GLN A 37 -6.600 -19.802 -2.430 1.00 5.41 H new ATOM 0 HA GLN A 37 -5.259 -21.579 -0.772 1.00 70.11 H new ATOM 0 HB2 GLN A 37 -6.210 -18.792 -0.709 1.00 15.34 H new ATOM 0 HB3 GLN A 37 -6.142 -19.519 0.883 1.00 15.34 H new ATOM 0 HG2 GLN A 37 -3.743 -20.130 -0.669 1.00 4.02 H new ATOM 0 HG3 GLN A 37 -4.013 -18.402 -0.561 1.00 4.02 H new ATOM 0 HE21 GLN A 37 -2.143 -18.160 0.754 1.00 61.42 H new ATOM 0 HE22 GLN A 37 -2.161 -18.627 2.458 1.00 61.42 H new ATOM 598 N GLY A 38 -8.403 -21.080 0.130 1.00 54.42 N ATOM 599 CA GLY A 38 -9.474 -21.643 0.931 1.00 74.14 C ATOM 600 C GLY A 38 -10.730 -21.900 0.121 1.00 20.12 C ATOM 601 O GLY A 38 -11.471 -22.845 0.395 1.00 5.31 O ATOM 0 H GLY A 38 -8.667 -20.268 -0.428 1.00 54.42 H new ATOM 0 HA2 GLY A 38 -9.136 -22.578 1.378 1.00 74.14 H new ATOM 0 HA3 GLY A 38 -9.707 -20.963 1.751 1.00 74.14 H new ATOM 605 N ARG A 39 -10.971 -21.057 -0.877 1.00 74.03 N ATOM 606 CA ARG A 39 -12.148 -21.196 -1.727 1.00 41.01 C ATOM 607 C ARG A 39 -11.747 -21.531 -3.161 1.00 25.24 C ATOM 608 O ARG A 39 -10.755 -21.014 -3.676 1.00 52.13 O ATOM 609 CB ARG A 39 -12.974 -19.909 -1.705 1.00 50.32 C ATOM 610 CG ARG A 39 -12.288 -18.757 -0.988 1.00 73.05 C ATOM 611 CD ARG A 39 -12.981 -17.433 -1.271 1.00 74.31 C ATOM 612 NE ARG A 39 -13.898 -17.055 -0.199 1.00 23.34 N ATOM 613 CZ ARG A 39 -13.518 -16.414 0.901 1.00 43.12 C ATOM 614 NH1 ARG A 39 -12.246 -16.080 1.072 1.00 62.45 N ATOM 615 NH2 ARG A 39 -14.411 -16.104 1.832 1.00 22.31 N ATOM 0 H ARG A 39 -10.367 -20.271 -1.117 1.00 74.03 H new ATOM 0 HA ARG A 39 -12.752 -22.015 -1.336 1.00 41.01 H new ATOM 0 HB2 ARG A 39 -13.192 -19.610 -2.730 1.00 50.32 H new ATOM 0 HB3 ARG A 39 -13.930 -20.109 -1.221 1.00 50.32 H new ATOM 0 HG2 ARG A 39 -12.285 -18.945 0.086 1.00 73.05 H new ATOM 0 HG3 ARG A 39 -11.246 -18.699 -1.304 1.00 73.05 H new ATOM 0 HD2 ARG A 39 -12.232 -16.652 -1.399 1.00 74.31 H new ATOM 0 HD3 ARG A 39 -13.531 -17.505 -2.210 1.00 74.31 H new ATOM 0 HE ARG A 39 -14.884 -17.296 -0.300 1.00 23.34 H new ATOM 0 HH11 ARG A 39 -11.557 -16.315 0.358 1.00 62.45 H new ATOM 0 HH12 ARG A 39 -11.957 -15.588 1.917 1.00 62.45 H new ATOM 0 HH21 ARG A 39 -15.391 -16.358 1.704 1.00 22.31 H new ATOM 0 HH22 ARG A 39 -14.118 -15.612 2.676 1.00 22.31 H new ATOM 629 N CYS A 40 -12.523 -22.401 -3.799 1.00 2.51 N ATOM 630 CA CYS A 40 -12.249 -22.806 -5.172 1.00 61.41 C ATOM 631 C CYS A 40 -12.983 -21.907 -6.162 1.00 14.30 C ATOM 632 O CYS A 40 -14.213 -21.847 -6.170 1.00 11.11 O ATOM 633 CB CYS A 40 -12.662 -24.264 -5.387 1.00 42.22 C ATOM 634 SG CYS A 40 -11.269 -25.391 -5.715 1.00 44.44 S ATOM 0 H CYS A 40 -13.347 -22.839 -3.387 1.00 2.51 H new ATOM 0 HA CYS A 40 -11.177 -22.709 -5.346 1.00 61.41 H new ATOM 0 HB2 CYS A 40 -13.197 -24.613 -4.504 1.00 42.22 H new ATOM 0 HB3 CYS A 40 -13.360 -24.313 -6.223 1.00 42.22 H new ATOM 639 N LYS A 41 -12.221 -21.208 -6.996 1.00 62.33 N ATOM 640 CA LYS A 41 -12.797 -20.312 -7.992 1.00 61.41 C ATOM 641 C LYS A 41 -13.681 -21.081 -8.969 1.00 31.12 C ATOM 642 O LYS A 41 -13.303 -22.128 -9.494 1.00 22.52 O ATOM 643 CB LYS A 41 -11.688 -19.585 -8.756 1.00 11.34 C ATOM 644 CG LYS A 41 -12.087 -18.199 -9.234 1.00 31.32 C ATOM 645 CD LYS A 41 -12.274 -17.240 -8.070 1.00 71.22 C ATOM 646 CE LYS A 41 -10.998 -16.467 -7.774 1.00 61.42 C ATOM 647 NZ LYS A 41 -10.826 -16.217 -6.316 1.00 74.33 N ATOM 0 H LYS A 41 -11.202 -21.245 -7.002 1.00 62.33 H new ATOM 0 HA LYS A 41 -13.413 -19.579 -7.471 1.00 61.41 H new ATOM 0 HB2 LYS A 41 -10.811 -19.500 -8.114 1.00 11.34 H new ATOM 0 HB3 LYS A 41 -11.396 -20.187 -9.617 1.00 11.34 H new ATOM 0 HG2 LYS A 41 -11.322 -17.811 -9.907 1.00 31.32 H new ATOM 0 HG3 LYS A 41 -13.012 -18.263 -9.806 1.00 31.32 H new ATOM 0 HD2 LYS A 41 -13.079 -16.542 -8.298 1.00 71.22 H new ATOM 0 HD3 LYS A 41 -12.577 -17.797 -7.183 1.00 71.22 H new ATOM 0 HE2 LYS A 41 -10.140 -17.024 -8.150 1.00 61.42 H new ATOM 0 HE3 LYS A 41 -11.018 -15.516 -8.306 1.00 61.42 H new ATOM 0 HZ1 LYS A 41 -9.891 -15.794 -6.144 1.00 74.33 H new ATOM 0 HZ2 LYS A 41 -11.567 -15.566 -5.986 1.00 74.33 H new ATOM 0 HZ3 LYS A 41 -10.900 -17.116 -5.799 1.00 74.33 H new ATOM 661 N PRO A 42 -14.887 -20.550 -9.221 1.00 22.14 N ATOM 662 CA PRO A 42 -15.849 -21.169 -10.137 1.00 64.34 C ATOM 663 C PRO A 42 -15.399 -21.086 -11.592 1.00 53.32 C ATOM 664 O PRO A 42 -15.419 -22.081 -12.317 1.00 1.23 O ATOM 665 CB PRO A 42 -17.122 -20.348 -9.923 1.00 54.11 C ATOM 666 CG PRO A 42 -16.642 -19.024 -9.436 1.00 71.41 C ATOM 667 CD PRO A 42 -15.404 -19.304 -8.630 1.00 62.13 C ATOM 0 HA PRO A 42 -15.974 -22.233 -9.938 1.00 64.34 H new ATOM 0 HB2 PRO A 42 -17.689 -20.248 -10.849 1.00 54.11 H new ATOM 0 HB3 PRO A 42 -17.781 -20.822 -9.196 1.00 54.11 H new ATOM 0 HG2 PRO A 42 -16.422 -18.358 -10.270 1.00 71.41 H new ATOM 0 HG3 PRO A 42 -17.401 -18.533 -8.827 1.00 71.41 H new ATOM 0 HD2 PRO A 42 -14.681 -18.492 -8.708 1.00 62.13 H new ATOM 0 HD3 PRO A 42 -15.633 -19.426 -7.571 1.00 62.13 H new ATOM 675 N VAL A 43 -14.994 -19.892 -12.014 1.00 11.00 N ATOM 676 CA VAL A 43 -14.538 -19.679 -13.382 1.00 52.14 C ATOM 677 C VAL A 43 -13.643 -18.449 -13.478 1.00 43.21 C ATOM 678 O VAL A 43 -13.722 -17.545 -12.647 1.00 65.21 O ATOM 679 CB VAL A 43 -15.725 -19.513 -14.350 1.00 10.10 C ATOM 680 CG1 VAL A 43 -15.258 -19.627 -15.793 1.00 3.30 C ATOM 681 CG2 VAL A 43 -16.806 -20.540 -14.048 1.00 64.33 C ATOM 0 H VAL A 43 -14.973 -19.058 -11.428 1.00 11.00 H new ATOM 0 HA VAL A 43 -13.967 -20.563 -13.666 1.00 52.14 H new ATOM 0 HB VAL A 43 -16.150 -18.519 -14.209 1.00 10.10 H new ATOM 0 HG11 VAL A 43 -16.110 -19.507 -16.462 1.00 3.30 H new ATOM 0 HG12 VAL A 43 -14.522 -18.850 -16.000 1.00 3.30 H new ATOM 0 HG13 VAL A 43 -14.806 -20.606 -15.953 1.00 3.30 H new ATOM 0 HG21 VAL A 43 -17.637 -20.408 -14.741 1.00 64.33 H new ATOM 0 HG22 VAL A 43 -16.396 -21.544 -14.160 1.00 64.33 H new ATOM 0 HG23 VAL A 43 -17.161 -20.405 -13.026 1.00 64.33 H new ATOM 691 N ASN A 44 -12.791 -18.421 -14.498 1.00 73.43 N ATOM 692 CA ASN A 44 -11.880 -17.302 -14.703 1.00 42.52 C ATOM 693 C ASN A 44 -11.230 -17.374 -16.082 1.00 13.02 C ATOM 694 O ASN A 44 -11.343 -18.381 -16.782 1.00 3.02 O ATOM 695 CB ASN A 44 -10.801 -17.290 -13.619 1.00 23.24 C ATOM 696 CG ASN A 44 -10.417 -15.884 -13.199 1.00 61.25 C ATOM 697 OD1 ASN A 44 -10.007 -15.068 -14.025 1.00 62.53 O ATOM 698 ND2 ASN A 44 -10.549 -15.595 -11.910 1.00 44.42 N ATOM 0 H ASN A 44 -12.713 -19.161 -15.195 1.00 73.43 H new ATOM 0 HA ASN A 44 -12.458 -16.380 -14.641 1.00 42.52 H new ATOM 0 HB2 ASN A 44 -11.158 -17.841 -12.749 1.00 23.24 H new ATOM 0 HB3 ASN A 44 -9.916 -17.811 -13.985 1.00 23.24 H new ATOM 0 HD21 ASN A 44 -10.307 -14.665 -11.568 1.00 44.42 H new ATOM 0 HD22 ASN A 44 -10.893 -16.303 -11.261 1.00 44.42 H new ATOM 705 N THR A 45 -10.549 -16.299 -16.466 1.00 52.04 N ATOM 706 CA THR A 45 -9.882 -16.240 -17.761 1.00 1.43 C ATOM 707 C THR A 45 -8.557 -15.491 -17.663 1.00 35.23 C ATOM 708 O THR A 45 -8.481 -14.420 -17.061 1.00 15.20 O ATOM 709 CB THR A 45 -10.768 -15.556 -18.819 1.00 10.42 C ATOM 710 OG1 THR A 45 -12.099 -16.080 -18.756 1.00 51.22 O ATOM 711 CG2 THR A 45 -10.201 -15.763 -20.215 1.00 52.32 C ATOM 0 H THR A 45 -10.445 -15.458 -15.899 1.00 52.04 H new ATOM 0 HA THR A 45 -9.693 -17.269 -18.067 1.00 1.43 H new ATOM 0 HB THR A 45 -10.789 -14.487 -18.608 1.00 10.42 H new ATOM 0 HG1 THR A 45 -12.656 -15.639 -19.431 1.00 51.22 H new ATOM 0 HG21 THR A 45 -10.844 -15.271 -20.945 1.00 52.32 H new ATOM 0 HG22 THR A 45 -9.199 -15.337 -20.268 1.00 52.32 H new ATOM 0 HG23 THR A 45 -10.153 -16.830 -20.434 1.00 52.32 H new ATOM 719 N PHE A 46 -7.515 -16.062 -18.258 1.00 54.53 N ATOM 720 CA PHE A 46 -6.193 -15.448 -18.238 1.00 2.33 C ATOM 721 C PHE A 46 -5.951 -14.634 -19.506 1.00 23.41 C ATOM 722 O PHE A 46 -6.813 -14.557 -20.381 1.00 41.32 O ATOM 723 CB PHE A 46 -5.112 -16.521 -18.092 1.00 44.42 C ATOM 724 CG PHE A 46 -4.877 -16.946 -16.671 1.00 60.40 C ATOM 725 CD1 PHE A 46 -4.749 -16.004 -15.664 1.00 11.14 C ATOM 726 CD2 PHE A 46 -4.784 -18.289 -16.343 1.00 22.33 C ATOM 727 CE1 PHE A 46 -4.534 -16.392 -14.355 1.00 24.33 C ATOM 728 CE2 PHE A 46 -4.569 -18.684 -15.036 1.00 3.33 C ATOM 729 CZ PHE A 46 -4.442 -17.734 -14.041 1.00 33.13 C ATOM 0 H PHE A 46 -7.561 -16.949 -18.760 1.00 54.53 H new ATOM 0 HA PHE A 46 -6.145 -14.775 -17.382 1.00 2.33 H new ATOM 0 HB2 PHE A 46 -5.395 -17.393 -18.681 1.00 44.42 H new ATOM 0 HB3 PHE A 46 -4.178 -16.144 -18.509 1.00 44.42 H new ATOM 0 HD1 PHE A 46 -4.818 -14.953 -15.904 1.00 11.14 H new ATOM 0 HD2 PHE A 46 -4.881 -19.036 -17.117 1.00 22.33 H new ATOM 0 HE1 PHE A 46 -4.438 -15.647 -13.579 1.00 24.33 H new ATOM 0 HE2 PHE A 46 -4.500 -19.734 -14.793 1.00 3.33 H new ATOM 0 HZ PHE A 46 -4.271 -18.040 -13.019 1.00 33.13 H new ATOM 739 N VAL A 47 -4.771 -14.029 -19.597 1.00 41.12 N ATOM 740 CA VAL A 47 -4.414 -13.222 -20.758 1.00 3.54 C ATOM 741 C VAL A 47 -2.903 -13.189 -20.960 1.00 51.24 C ATOM 742 O VAL A 47 -2.149 -12.878 -20.038 1.00 44.32 O ATOM 743 CB VAL A 47 -4.933 -11.778 -20.619 1.00 34.34 C ATOM 744 CG1 VAL A 47 -4.428 -10.916 -21.765 1.00 40.20 C ATOM 745 CG2 VAL A 47 -6.453 -11.763 -20.559 1.00 74.20 C ATOM 0 H VAL A 47 -4.046 -14.082 -18.881 1.00 41.12 H new ATOM 0 HA VAL A 47 -4.884 -13.688 -21.624 1.00 3.54 H new ATOM 0 HB VAL A 47 -4.551 -11.361 -19.687 1.00 34.34 H new ATOM 0 HG11 VAL A 47 -4.805 -9.900 -21.649 1.00 40.20 H new ATOM 0 HG12 VAL A 47 -3.338 -10.902 -21.757 1.00 40.20 H new ATOM 0 HG13 VAL A 47 -4.778 -11.328 -22.712 1.00 40.20 H new ATOM 0 HG21 VAL A 47 -6.803 -10.735 -20.461 1.00 74.20 H new ATOM 0 HG22 VAL A 47 -6.858 -12.198 -21.473 1.00 74.20 H new ATOM 0 HG23 VAL A 47 -6.789 -12.344 -19.700 1.00 74.20 H new ATOM 755 N HIS A 48 -2.467 -13.512 -22.174 1.00 53.41 N ATOM 756 CA HIS A 48 -1.045 -13.518 -22.499 1.00 74.21 C ATOM 757 C HIS A 48 -0.629 -12.199 -23.143 1.00 11.14 C ATOM 758 O HIS A 48 0.419 -12.113 -23.781 1.00 61.53 O ATOM 759 CB HIS A 48 -0.720 -14.681 -23.437 1.00 34.33 C ATOM 760 CG HIS A 48 -0.810 -16.024 -22.779 1.00 13.10 C ATOM 761 ND1 HIS A 48 0.140 -16.496 -21.899 1.00 4.13 N ATOM 762 CD2 HIS A 48 -1.747 -16.996 -22.876 1.00 63.41 C ATOM 763 CE1 HIS A 48 -0.206 -17.701 -21.484 1.00 75.32 C ATOM 764 NE2 HIS A 48 -1.348 -18.028 -22.062 1.00 73.11 N ATOM 0 H HIS A 48 -3.078 -13.773 -22.948 1.00 53.41 H new ATOM 0 HA HIS A 48 -0.486 -13.641 -21.571 1.00 74.21 H new ATOM 0 HB2 HIS A 48 -1.404 -14.655 -24.286 1.00 34.33 H new ATOM 0 HB3 HIS A 48 0.286 -14.547 -23.834 1.00 34.33 H new ATOM 0 HD2 HIS A 48 -2.641 -16.966 -23.481 1.00 63.41 H new ATOM 0 HE1 HIS A 48 0.350 -18.314 -20.790 1.00 75.32 H new ATOM 0 HE2 HIS A 48 -1.852 -18.904 -21.926 1.00 73.11 H new ATOM 772 N GLU A 49 -1.458 -11.174 -22.970 1.00 21.03 N ATOM 773 CA GLU A 49 -1.175 -9.860 -23.536 1.00 34.25 C ATOM 774 C GLU A 49 -0.817 -8.861 -22.439 1.00 62.31 C ATOM 775 O GLU A 49 -1.397 -8.858 -21.353 1.00 70.22 O ATOM 776 CB GLU A 49 -2.381 -9.352 -24.329 1.00 61.11 C ATOM 777 CG GLU A 49 -2.004 -8.618 -25.605 1.00 72.32 C ATOM 778 CD GLU A 49 -0.892 -9.310 -26.369 1.00 44.20 C ATOM 779 OE1 GLU A 49 -0.816 -10.555 -26.309 1.00 33.05 O ATOM 780 OE2 GLU A 49 -0.097 -8.607 -27.027 1.00 4.44 O ATOM 0 H GLU A 49 -2.330 -11.228 -22.443 1.00 21.03 H new ATOM 0 HA GLU A 49 -0.322 -9.958 -24.208 1.00 34.25 H new ATOM 0 HB2 GLU A 49 -3.021 -10.197 -24.581 1.00 61.11 H new ATOM 0 HB3 GLU A 49 -2.967 -8.686 -23.696 1.00 61.11 H new ATOM 0 HG2 GLU A 49 -2.882 -8.535 -26.245 1.00 72.32 H new ATOM 0 HG3 GLU A 49 -1.693 -7.603 -25.358 1.00 72.32 H new ATOM 787 N PRO A 50 0.163 -7.992 -22.728 1.00 63.52 N ATOM 788 CA PRO A 50 0.622 -6.973 -21.781 1.00 1.55 C ATOM 789 C PRO A 50 -0.416 -5.878 -21.559 1.00 72.01 C ATOM 790 O PRO A 50 -0.956 -5.318 -22.514 1.00 42.51 O ATOM 791 CB PRO A 50 1.870 -6.397 -22.455 1.00 71.21 C ATOM 792 CG PRO A 50 1.664 -6.648 -23.909 1.00 51.52 C ATOM 793 CD PRO A 50 0.899 -7.939 -24.003 1.00 12.42 C ATOM 0 HA PRO A 50 0.810 -7.392 -20.792 1.00 1.55 H new ATOM 0 HB2 PRO A 50 1.976 -5.332 -22.248 1.00 71.21 H new ATOM 0 HB3 PRO A 50 2.776 -6.884 -22.093 1.00 71.21 H new ATOM 0 HG2 PRO A 50 1.109 -5.831 -24.371 1.00 51.52 H new ATOM 0 HG3 PRO A 50 2.618 -6.721 -24.431 1.00 51.52 H new ATOM 0 HD2 PRO A 50 0.223 -7.944 -24.858 1.00 12.42 H new ATOM 0 HD3 PRO A 50 1.565 -8.794 -24.118 1.00 12.42 H new ATOM 801 N LEU A 51 -0.692 -5.578 -20.295 1.00 2.42 N ATOM 802 CA LEU A 51 -1.666 -4.549 -19.948 1.00 11.32 C ATOM 803 C LEU A 51 -1.636 -3.407 -20.959 1.00 4.24 C ATOM 804 O LEU A 51 -2.616 -3.158 -21.660 1.00 73.42 O ATOM 805 CB LEU A 51 -1.389 -4.009 -18.543 1.00 71.34 C ATOM 806 CG LEU A 51 -2.443 -3.063 -17.968 1.00 52.30 C ATOM 807 CD1 LEU A 51 -3.580 -3.851 -17.335 1.00 45.40 C ATOM 808 CD2 LEU A 51 -1.815 -2.119 -16.952 1.00 74.34 C ATOM 0 H LEU A 51 -0.255 -6.033 -19.493 1.00 2.42 H new ATOM 0 HA LEU A 51 -2.658 -5.001 -19.968 1.00 11.32 H new ATOM 0 HB2 LEU A 51 -1.281 -4.856 -17.865 1.00 71.34 H new ATOM 0 HB3 LEU A 51 -0.432 -3.488 -18.558 1.00 71.34 H new ATOM 0 HG LEU A 51 -2.852 -2.467 -18.784 1.00 52.30 H new ATOM 0 HD11 LEU A 51 -4.321 -3.161 -16.931 1.00 45.40 H new ATOM 0 HD12 LEU A 51 -4.048 -4.484 -18.089 1.00 45.40 H new ATOM 0 HD13 LEU A 51 -3.188 -4.473 -16.531 1.00 45.40 H new ATOM 0 HD21 LEU A 51 -2.580 -1.453 -16.553 1.00 74.34 H new ATOM 0 HD22 LEU A 51 -1.378 -2.698 -16.139 1.00 74.34 H new ATOM 0 HD23 LEU A 51 -1.037 -1.529 -17.436 1.00 74.34 H new ATOM 820 N VAL A 52 -0.502 -2.716 -21.029 1.00 52.14 N ATOM 821 CA VAL A 52 -0.342 -1.602 -21.957 1.00 33.32 C ATOM 822 C VAL A 52 -1.151 -1.827 -23.230 1.00 4.12 C ATOM 823 O VAL A 52 -1.796 -0.910 -23.737 1.00 52.33 O ATOM 824 CB VAL A 52 1.137 -1.392 -22.331 1.00 52.24 C ATOM 825 CG1 VAL A 52 1.618 -2.502 -23.253 1.00 74.12 C ATOM 826 CG2 VAL A 52 1.334 -0.029 -22.977 1.00 54.33 C ATOM 0 H VAL A 52 0.319 -2.908 -20.455 1.00 52.14 H new ATOM 0 HA VAL A 52 -0.710 -0.711 -21.449 1.00 33.32 H new ATOM 0 HB VAL A 52 1.733 -1.427 -21.419 1.00 52.24 H new ATOM 0 HG11 VAL A 52 2.665 -2.336 -23.506 1.00 74.12 H new ATOM 0 HG12 VAL A 52 1.514 -3.463 -22.750 1.00 74.12 H new ATOM 0 HG13 VAL A 52 1.020 -2.503 -24.164 1.00 74.12 H new ATOM 0 HG21 VAL A 52 2.385 0.103 -23.235 1.00 54.33 H new ATOM 0 HG22 VAL A 52 0.728 0.037 -23.880 1.00 54.33 H new ATOM 0 HG23 VAL A 52 1.031 0.752 -22.279 1.00 54.33 H new ATOM 836 N ASP A 53 -1.111 -3.052 -23.741 1.00 22.54 N ATOM 837 CA ASP A 53 -1.841 -3.399 -24.954 1.00 71.13 C ATOM 838 C ASP A 53 -3.339 -3.175 -24.770 1.00 42.20 C ATOM 839 O ASP A 53 -3.962 -2.423 -25.520 1.00 5.11 O ATOM 840 CB ASP A 53 -1.574 -4.856 -25.337 1.00 52.53 C ATOM 841 CG ASP A 53 -1.176 -5.008 -26.792 1.00 42.12 C ATOM 842 OD1 ASP A 53 -1.410 -4.062 -27.573 1.00 61.21 O ATOM 843 OD2 ASP A 53 -0.631 -6.073 -27.150 1.00 23.20 O ATOM 0 H ASP A 53 -0.580 -3.822 -23.334 1.00 22.54 H new ATOM 0 HA ASP A 53 -1.491 -2.750 -25.757 1.00 71.13 H new ATOM 0 HB2 ASP A 53 -0.783 -5.256 -24.703 1.00 52.53 H new ATOM 0 HB3 ASP A 53 -2.468 -5.449 -25.144 1.00 52.53 H new ATOM 848 N VAL A 54 -3.912 -3.833 -23.767 1.00 63.45 N ATOM 849 CA VAL A 54 -5.336 -3.706 -23.484 1.00 73.14 C ATOM 850 C VAL A 54 -5.701 -2.267 -23.138 1.00 54.14 C ATOM 851 O VAL A 54 -6.777 -1.787 -23.496 1.00 3.33 O ATOM 852 CB VAL A 54 -5.762 -4.625 -22.324 1.00 73.32 C ATOM 853 CG1 VAL A 54 -7.160 -4.266 -21.843 1.00 42.42 C ATOM 854 CG2 VAL A 54 -5.695 -6.084 -22.749 1.00 23.53 C ATOM 0 H VAL A 54 -3.411 -4.460 -23.137 1.00 63.45 H new ATOM 0 HA VAL A 54 -5.866 -4.005 -24.388 1.00 73.14 H new ATOM 0 HB VAL A 54 -5.070 -4.479 -21.495 1.00 73.32 H new ATOM 0 HG11 VAL A 54 -7.443 -4.926 -21.023 1.00 42.42 H new ATOM 0 HG12 VAL A 54 -7.172 -3.232 -21.497 1.00 42.42 H new ATOM 0 HG13 VAL A 54 -7.868 -4.382 -22.664 1.00 42.42 H new ATOM 0 HG21 VAL A 54 -5.999 -6.720 -21.917 1.00 23.53 H new ATOM 0 HG22 VAL A 54 -6.363 -6.248 -23.594 1.00 23.53 H new ATOM 0 HG23 VAL A 54 -4.674 -6.332 -23.040 1.00 23.53 H new ATOM 864 N GLN A 55 -4.799 -1.584 -22.442 1.00 23.44 N ATOM 865 CA GLN A 55 -5.026 -0.199 -22.047 1.00 75.22 C ATOM 866 C GLN A 55 -5.417 0.652 -23.251 1.00 5.42 C ATOM 867 O GLN A 55 -6.394 1.398 -23.205 1.00 5.51 O ATOM 868 CB GLN A 55 -3.774 0.377 -21.384 1.00 72.01 C ATOM 869 CG GLN A 55 -3.334 -0.388 -20.147 1.00 32.35 C ATOM 870 CD GLN A 55 -2.200 0.296 -19.410 1.00 10.34 C ATOM 871 OE1 GLN A 55 -2.197 1.517 -19.247 1.00 72.21 O ATOM 872 NE2 GLN A 55 -1.228 -0.488 -18.959 1.00 31.14 N ATOM 0 H GLN A 55 -3.903 -1.967 -22.140 1.00 23.44 H new ATOM 0 HA GLN A 55 -5.847 -0.181 -21.330 1.00 75.22 H new ATOM 0 HB2 GLN A 55 -2.959 0.381 -22.108 1.00 72.01 H new ATOM 0 HB3 GLN A 55 -3.963 1.415 -21.111 1.00 72.01 H new ATOM 0 HG2 GLN A 55 -4.184 -0.502 -19.474 1.00 32.35 H new ATOM 0 HG3 GLN A 55 -3.021 -1.391 -20.437 1.00 32.35 H new ATOM 0 HE21 GLN A 55 -1.271 -1.495 -19.116 1.00 31.14 H new ATOM 0 HE22 GLN A 55 -0.439 -0.083 -18.455 1.00 31.14 H new ATOM 881 N ASN A 56 -4.645 0.535 -24.327 1.00 54.40 N ATOM 882 CA ASN A 56 -4.910 1.296 -25.543 1.00 70.41 C ATOM 883 C ASN A 56 -6.375 1.175 -25.953 1.00 22.55 C ATOM 884 O ASN A 56 -6.951 2.102 -26.521 1.00 4.53 O ATOM 885 CB ASN A 56 -4.009 0.809 -26.680 1.00 32.20 C ATOM 886 CG ASN A 56 -2.691 1.556 -26.733 1.00 65.11 C ATOM 887 OD1 ASN A 56 -2.610 2.657 -27.278 1.00 64.34 O ATOM 888 ND2 ASN A 56 -1.649 0.959 -26.165 1.00 71.34 N ATOM 0 H ASN A 56 -3.832 -0.079 -24.382 1.00 54.40 H new ATOM 0 HA ASN A 56 -4.694 2.345 -25.340 1.00 70.41 H new ATOM 0 HB2 ASN A 56 -3.815 -0.256 -26.555 1.00 32.20 H new ATOM 0 HB3 ASN A 56 -4.530 0.929 -27.630 1.00 32.20 H new ATOM 0 HD21 ASN A 56 -0.736 1.414 -26.169 1.00 71.34 H new ATOM 0 HD22 ASN A 56 -1.762 0.046 -25.725 1.00 71.34 H new ATOM 895 N VAL A 57 -6.972 0.024 -25.659 1.00 73.13 N ATOM 896 CA VAL A 57 -8.370 -0.219 -25.995 1.00 13.21 C ATOM 897 C VAL A 57 -9.276 0.841 -25.378 1.00 4.22 C ATOM 898 O VAL A 57 -10.205 1.331 -26.021 1.00 20.53 O ATOM 899 CB VAL A 57 -8.828 -1.610 -25.519 1.00 35.15 C ATOM 900 CG1 VAL A 57 -10.277 -1.858 -25.909 1.00 74.03 C ATOM 901 CG2 VAL A 57 -7.922 -2.692 -26.086 1.00 30.14 C ATOM 0 H VAL A 57 -6.510 -0.754 -25.189 1.00 73.13 H new ATOM 0 HA VAL A 57 -8.447 -0.171 -27.081 1.00 13.21 H new ATOM 0 HB VAL A 57 -8.759 -1.643 -24.432 1.00 35.15 H new ATOM 0 HG11 VAL A 57 -10.583 -2.846 -25.564 1.00 74.03 H new ATOM 0 HG12 VAL A 57 -10.912 -1.101 -25.450 1.00 74.03 H new ATOM 0 HG13 VAL A 57 -10.376 -1.805 -26.993 1.00 74.03 H new ATOM 0 HG21 VAL A 57 -8.260 -3.668 -25.739 1.00 30.14 H new ATOM 0 HG22 VAL A 57 -7.957 -2.662 -27.175 1.00 30.14 H new ATOM 0 HG23 VAL A 57 -6.899 -2.522 -25.751 1.00 30.14 H new ATOM 911 N CYS A 58 -8.998 1.193 -24.127 1.00 33.23 N ATOM 912 CA CYS A 58 -9.787 2.195 -23.421 1.00 1.41 C ATOM 913 C CYS A 58 -9.759 3.529 -24.161 1.00 40.53 C ATOM 914 O CYS A 58 -10.526 4.441 -23.850 1.00 72.31 O ATOM 915 CB CYS A 58 -9.260 2.379 -21.996 1.00 43.14 C ATOM 916 SG CYS A 58 -10.564 2.582 -20.741 1.00 53.53 S ATOM 0 H CYS A 58 -8.232 0.799 -23.581 1.00 33.23 H new ATOM 0 HA CYS A 58 -10.818 1.845 -23.377 1.00 1.41 H new ATOM 0 HB2 CYS A 58 -8.648 1.516 -21.732 1.00 43.14 H new ATOM 0 HB3 CYS A 58 -8.608 3.252 -21.971 1.00 43.14 H new ATOM 921 N PHE A 59 -8.870 3.637 -25.143 1.00 24.51 N ATOM 922 CA PHE A 59 -8.741 4.859 -25.928 1.00 24.23 C ATOM 923 C PHE A 59 -9.060 4.598 -27.397 1.00 24.01 C ATOM 924 O PHE A 59 -8.931 5.488 -28.237 1.00 74.23 O ATOM 925 CB PHE A 59 -7.327 5.429 -25.794 1.00 60.14 C ATOM 926 CG PHE A 59 -6.837 5.492 -24.376 1.00 14.11 C ATOM 927 CD1 PHE A 59 -7.495 6.269 -23.436 1.00 51.20 C ATOM 928 CD2 PHE A 59 -5.720 4.774 -23.982 1.00 62.01 C ATOM 929 CE1 PHE A 59 -7.046 6.330 -22.130 1.00 71.43 C ATOM 930 CE2 PHE A 59 -5.266 4.830 -22.678 1.00 13.14 C ATOM 931 CZ PHE A 59 -5.931 5.608 -21.750 1.00 51.33 C ATOM 0 H PHE A 59 -8.228 2.892 -25.414 1.00 24.51 H new ATOM 0 HA PHE A 59 -9.456 5.586 -25.543 1.00 24.23 H new ATOM 0 HB2 PHE A 59 -6.641 4.818 -26.380 1.00 60.14 H new ATOM 0 HB3 PHE A 59 -7.306 6.431 -26.222 1.00 60.14 H new ATOM 0 HD1 PHE A 59 -8.369 6.833 -23.727 1.00 51.20 H new ATOM 0 HD2 PHE A 59 -5.197 4.163 -24.703 1.00 62.01 H new ATOM 0 HE1 PHE A 59 -7.566 6.941 -21.407 1.00 71.43 H new ATOM 0 HE2 PHE A 59 -4.393 4.266 -22.385 1.00 13.14 H new ATOM 0 HZ PHE A 59 -5.580 5.652 -20.730 1.00 51.33 H new ATOM 941 N GLN A 60 -9.475 3.372 -27.697 1.00 62.34 N ATOM 942 CA GLN A 60 -9.811 2.993 -29.065 1.00 2.22 C ATOM 943 C GLN A 60 -11.316 3.068 -29.296 1.00 35.21 C ATOM 944 O GLN A 60 -11.798 3.924 -30.037 1.00 1.22 O ATOM 945 CB GLN A 60 -9.306 1.580 -29.364 1.00 14.40 C ATOM 946 CG GLN A 60 -7.930 1.550 -30.009 1.00 31.31 C ATOM 947 CD GLN A 60 -7.995 1.403 -31.516 1.00 72.23 C ATOM 948 OE1 GLN A 60 -7.326 2.129 -32.252 1.00 15.51 O ATOM 949 NE2 GLN A 60 -8.803 0.459 -31.985 1.00 71.01 N ATOM 0 H GLN A 60 -9.587 2.624 -27.012 1.00 62.34 H new ATOM 0 HA GLN A 60 -9.323 3.696 -29.741 1.00 2.22 H new ATOM 0 HB2 GLN A 60 -9.275 1.010 -28.435 1.00 14.40 H new ATOM 0 HB3 GLN A 60 -10.017 1.080 -30.022 1.00 14.40 H new ATOM 0 HG2 GLN A 60 -7.396 2.467 -29.760 1.00 31.31 H new ATOM 0 HG3 GLN A 60 -7.355 0.723 -29.592 1.00 31.31 H new ATOM 0 HE21 GLN A 60 -9.339 -0.120 -31.339 1.00 71.01 H new ATOM 0 HE22 GLN A 60 -8.887 0.313 -32.991 1.00 71.01 H new ATOM 958 N GLU A 61 -12.054 2.165 -28.657 1.00 21.10 N ATOM 959 CA GLU A 61 -13.505 2.129 -28.795 1.00 31.31 C ATOM 960 C GLU A 61 -14.180 2.073 -27.428 1.00 13.34 C ATOM 961 O GLU A 61 -13.515 1.960 -26.398 1.00 32.13 O ATOM 962 CB GLU A 61 -13.930 0.922 -29.635 1.00 1.50 C ATOM 963 CG GLU A 61 -15.270 1.104 -30.327 1.00 52.41 C ATOM 964 CD GLU A 61 -15.442 0.182 -31.518 1.00 44.14 C ATOM 965 OE1 GLU A 61 -14.671 0.321 -32.491 1.00 43.22 O ATOM 966 OE2 GLU A 61 -16.346 -0.678 -31.478 1.00 61.04 O ATOM 0 H GLU A 61 -11.671 1.449 -28.039 1.00 21.10 H new ATOM 0 HA GLU A 61 -13.819 3.043 -29.299 1.00 31.31 H new ATOM 0 HB2 GLU A 61 -13.166 0.726 -30.387 1.00 1.50 H new ATOM 0 HB3 GLU A 61 -13.978 0.042 -28.993 1.00 1.50 H new ATOM 0 HG2 GLU A 61 -16.072 0.921 -29.612 1.00 52.41 H new ATOM 0 HG3 GLU A 61 -15.367 2.139 -30.656 1.00 52.41 H new ATOM 973 N LYS A 62 -15.507 2.155 -27.426 1.00 25.34 N ATOM 974 CA LYS A 62 -16.274 2.113 -26.187 1.00 13.43 C ATOM 975 C LYS A 62 -17.506 1.226 -26.339 1.00 43.10 C ATOM 976 O LYS A 62 -18.041 1.074 -27.437 1.00 32.51 O ATOM 977 CB LYS A 62 -16.698 3.526 -25.778 1.00 22.13 C ATOM 978 CG LYS A 62 -17.348 3.593 -24.407 1.00 30.14 C ATOM 979 CD LYS A 62 -18.841 3.855 -24.510 1.00 33.41 C ATOM 980 CE LYS A 62 -19.127 5.266 -24.999 1.00 12.32 C ATOM 981 NZ LYS A 62 -19.702 6.120 -23.923 1.00 10.14 N ATOM 0 H LYS A 62 -16.073 2.251 -28.269 1.00 25.34 H new ATOM 0 HA LYS A 62 -15.638 1.691 -25.409 1.00 13.43 H new ATOM 0 HB2 LYS A 62 -15.823 4.176 -25.788 1.00 22.13 H new ATOM 0 HB3 LYS A 62 -17.394 3.917 -26.520 1.00 22.13 H new ATOM 0 HG2 LYS A 62 -17.178 2.656 -23.877 1.00 30.14 H new ATOM 0 HG3 LYS A 62 -16.879 4.382 -23.819 1.00 30.14 H new ATOM 0 HD2 LYS A 62 -19.292 3.134 -25.192 1.00 33.41 H new ATOM 0 HD3 LYS A 62 -19.306 3.705 -23.535 1.00 33.41 H new ATOM 0 HE2 LYS A 62 -18.205 5.717 -25.367 1.00 12.32 H new ATOM 0 HE3 LYS A 62 -19.820 5.226 -25.840 1.00 12.32 H new ATOM 0 HZ1 LYS A 62 -19.883 7.074 -24.296 1.00 10.14 H new ATOM 0 HZ2 LYS A 62 -20.595 5.704 -23.589 1.00 10.14 H new ATOM 0 HZ3 LYS A 62 -19.031 6.180 -23.131 1.00 10.14 H new ATOM 995 N VAL A 63 -17.951 0.644 -25.230 1.00 61.10 N ATOM 996 CA VAL A 63 -19.121 -0.226 -25.240 1.00 40.11 C ATOM 997 C VAL A 63 -20.004 0.026 -24.023 1.00 42.31 C ATOM 998 O VAL A 63 -19.605 0.717 -23.085 1.00 13.41 O ATOM 999 CB VAL A 63 -18.716 -1.712 -25.268 1.00 4.45 C ATOM 1000 CG1 VAL A 63 -17.624 -1.949 -26.300 1.00 54.44 C ATOM 1001 CG2 VAL A 63 -18.263 -2.165 -23.888 1.00 21.41 C ATOM 0 H VAL A 63 -17.519 0.759 -24.313 1.00 61.10 H new ATOM 0 HA VAL A 63 -19.681 0.007 -26.146 1.00 40.11 H new ATOM 0 HB VAL A 63 -19.586 -2.303 -25.553 1.00 4.45 H new ATOM 0 HG11 VAL A 63 -17.351 -3.004 -26.305 1.00 54.44 H new ATOM 0 HG12 VAL A 63 -17.988 -1.663 -27.287 1.00 54.44 H new ATOM 0 HG13 VAL A 63 -16.749 -1.349 -26.048 1.00 54.44 H new ATOM 0 HG21 VAL A 63 -17.980 -3.217 -23.925 1.00 21.41 H new ATOM 0 HG22 VAL A 63 -17.406 -1.570 -23.573 1.00 21.41 H new ATOM 0 HG23 VAL A 63 -19.078 -2.033 -23.176 1.00 21.41 H new ATOM 1011 N THR A 64 -21.207 -0.539 -24.044 1.00 22.31 N ATOM 1012 CA THR A 64 -22.147 -0.376 -22.943 1.00 15.42 C ATOM 1013 C THR A 64 -22.083 -1.559 -21.984 1.00 73.34 C ATOM 1014 O THR A 64 -21.445 -2.572 -22.274 1.00 2.33 O ATOM 1015 CB THR A 64 -23.592 -0.223 -23.456 1.00 2.32 C ATOM 1016 OG1 THR A 64 -23.584 0.155 -24.837 1.00 63.41 O ATOM 1017 CG2 THR A 64 -24.347 0.820 -22.645 1.00 23.54 C ATOM 0 H THR A 64 -21.553 -1.114 -24.812 1.00 22.31 H new ATOM 0 HA THR A 64 -21.859 0.532 -22.414 1.00 15.42 H new ATOM 0 HB THR A 64 -24.097 -1.183 -23.345 1.00 2.32 H new ATOM 0 HG1 THR A 64 -24.506 0.249 -25.156 1.00 63.41 H new ATOM 0 HG21 THR A 64 -25.364 0.910 -23.026 1.00 23.54 H new ATOM 0 HG22 THR A 64 -24.377 0.516 -21.599 1.00 23.54 H new ATOM 0 HG23 THR A 64 -23.841 1.782 -22.729 1.00 23.54 H new ATOM 1025 N CYS A 65 -22.749 -1.426 -20.842 1.00 71.41 N ATOM 1026 CA CYS A 65 -22.768 -2.485 -19.840 1.00 74.21 C ATOM 1027 C CYS A 65 -24.117 -2.536 -19.128 1.00 11.41 C ATOM 1028 O CYS A 65 -24.956 -1.651 -19.300 1.00 32.14 O ATOM 1029 CB CYS A 65 -21.648 -2.271 -18.820 1.00 34.10 C ATOM 1030 SG CYS A 65 -20.112 -3.171 -19.203 1.00 45.14 S ATOM 0 H CYS A 65 -23.283 -0.595 -20.587 1.00 71.41 H new ATOM 0 HA CYS A 65 -22.610 -3.436 -20.349 1.00 74.21 H new ATOM 0 HB2 CYS A 65 -21.426 -1.206 -18.758 1.00 34.10 H new ATOM 0 HB3 CYS A 65 -22.002 -2.581 -17.837 1.00 34.10 H new ATOM 1035 N LYS A 66 -24.319 -3.577 -18.327 1.00 45.25 N ATOM 1036 CA LYS A 66 -25.564 -3.744 -17.587 1.00 44.22 C ATOM 1037 C LYS A 66 -26.017 -2.420 -16.979 1.00 62.32 C ATOM 1038 O LYS A 66 -27.113 -1.940 -17.262 1.00 75.11 O ATOM 1039 CB LYS A 66 -25.389 -4.790 -16.484 1.00 62.55 C ATOM 1040 CG LYS A 66 -26.233 -6.037 -16.689 1.00 44.35 C ATOM 1041 CD LYS A 66 -25.378 -7.293 -16.698 1.00 34.32 C ATOM 1042 CE LYS A 66 -26.061 -8.436 -15.963 1.00 35.51 C ATOM 1043 NZ LYS A 66 -25.871 -8.341 -14.489 1.00 65.11 N ATOM 0 H LYS A 66 -23.635 -4.318 -18.174 1.00 45.25 H new ATOM 0 HA LYS A 66 -26.329 -4.085 -18.284 1.00 44.22 H new ATOM 0 HB2 LYS A 66 -24.339 -5.077 -16.430 1.00 62.55 H new ATOM 0 HB3 LYS A 66 -25.646 -4.341 -15.525 1.00 62.55 H new ATOM 0 HG2 LYS A 66 -26.977 -6.108 -15.896 1.00 44.35 H new ATOM 0 HG3 LYS A 66 -26.777 -5.959 -17.631 1.00 44.35 H new ATOM 0 HD2 LYS A 66 -25.176 -7.590 -17.727 1.00 34.32 H new ATOM 0 HD3 LYS A 66 -24.415 -7.083 -16.232 1.00 34.32 H new ATOM 0 HE2 LYS A 66 -27.126 -8.430 -16.193 1.00 35.51 H new ATOM 0 HE3 LYS A 66 -25.663 -9.386 -16.320 1.00 35.51 H new ATOM 0 HZ1 LYS A 66 -26.352 -9.138 -14.025 1.00 65.11 H new ATOM 0 HZ2 LYS A 66 -24.855 -8.372 -14.267 1.00 65.11 H new ATOM 0 HZ3 LYS A 66 -26.273 -7.446 -14.144 1.00 65.11 H new ATOM 1057 N ASN A 67 -25.164 -1.835 -16.144 1.00 35.31 N ATOM 1058 CA ASN A 67 -25.478 -0.566 -15.497 1.00 64.21 C ATOM 1059 C ASN A 67 -25.708 0.530 -16.533 1.00 21.01 C ATOM 1060 O ASN A 67 -26.327 1.553 -16.243 1.00 33.52 O ATOM 1061 CB ASN A 67 -24.346 -0.160 -14.551 1.00 13.43 C ATOM 1062 CG ASN A 67 -22.981 -0.269 -15.201 1.00 63.22 C ATOM 1063 OD1 ASN A 67 -22.777 0.193 -16.324 1.00 21.21 O ATOM 1064 ND2 ASN A 67 -22.038 -0.883 -14.497 1.00 25.45 N ATOM 0 H ASN A 67 -24.251 -2.219 -15.900 1.00 35.31 H new ATOM 0 HA ASN A 67 -26.395 -0.696 -14.922 1.00 64.21 H new ATOM 0 HB2 ASN A 67 -24.505 0.865 -14.217 1.00 13.43 H new ATOM 0 HB3 ASN A 67 -24.374 -0.792 -13.663 1.00 13.43 H new ATOM 0 HD21 ASN A 67 -21.100 -0.987 -14.883 1.00 25.45 H new ATOM 0 HD22 ASN A 67 -22.252 -1.251 -13.570 1.00 25.45 H new ATOM 1071 N GLY A 68 -25.205 0.308 -17.744 1.00 3.14 N ATOM 1072 CA GLY A 68 -25.366 1.285 -18.805 1.00 34.05 C ATOM 1073 C GLY A 68 -24.353 2.409 -18.717 1.00 15.22 C ATOM 1074 O GLY A 68 -24.615 3.525 -19.166 1.00 33.41 O ATOM 0 H GLY A 68 -24.689 -0.531 -18.009 1.00 3.14 H new ATOM 0 HA2 GLY A 68 -25.269 0.788 -19.770 1.00 34.05 H new ATOM 0 HA3 GLY A 68 -26.372 1.702 -18.761 1.00 34.05 H new ATOM 1078 N GLN A 69 -23.195 2.116 -18.136 1.00 22.35 N ATOM 1079 CA GLN A 69 -22.141 3.112 -17.988 1.00 45.24 C ATOM 1080 C GLN A 69 -21.169 3.054 -19.162 1.00 42.14 C ATOM 1081 O GLN A 69 -21.287 2.197 -20.037 1.00 23.21 O ATOM 1082 CB GLN A 69 -21.386 2.897 -16.675 1.00 61.13 C ATOM 1083 CG GLN A 69 -22.044 3.565 -15.479 1.00 4.40 C ATOM 1084 CD GLN A 69 -21.256 3.374 -14.198 1.00 12.33 C ATOM 1085 OE1 GLN A 69 -20.273 4.072 -13.950 1.00 4.40 O ATOM 1086 NE2 GLN A 69 -21.686 2.425 -13.375 1.00 23.14 N ATOM 0 H GLN A 69 -22.963 1.197 -17.760 1.00 22.35 H new ATOM 0 HA GLN A 69 -22.607 4.097 -17.973 1.00 45.24 H new ATOM 0 HB2 GLN A 69 -21.304 1.827 -16.484 1.00 61.13 H new ATOM 0 HB3 GLN A 69 -20.371 3.280 -16.782 1.00 61.13 H new ATOM 0 HG2 GLN A 69 -22.154 4.631 -15.678 1.00 4.40 H new ATOM 0 HG3 GLN A 69 -23.047 3.160 -15.348 1.00 4.40 H new ATOM 0 HE21 GLN A 69 -22.506 1.870 -13.621 1.00 23.14 H new ATOM 0 HE22 GLN A 69 -21.197 2.251 -12.497 1.00 23.14 H new ATOM 1095 N GLY A 70 -20.208 3.973 -19.175 1.00 41.13 N ATOM 1096 CA GLY A 70 -19.230 4.009 -20.247 1.00 30.10 C ATOM 1097 C GLY A 70 -17.845 3.605 -19.782 1.00 10.12 C ATOM 1098 O GLY A 70 -16.843 4.120 -20.275 1.00 43.13 O ATOM 0 H GLY A 70 -20.089 4.693 -18.462 1.00 41.13 H new ATOM 0 HA2 GLY A 70 -19.549 3.343 -21.049 1.00 30.10 H new ATOM 0 HA3 GLY A 70 -19.191 5.015 -20.665 1.00 30.10 H new ATOM 1102 N ASN A 71 -17.789 2.682 -18.828 1.00 22.43 N ATOM 1103 CA ASN A 71 -16.516 2.211 -18.294 1.00 21.41 C ATOM 1104 C ASN A 71 -16.096 0.904 -18.961 1.00 14.04 C ATOM 1105 O ASN A 71 -15.094 0.296 -18.585 1.00 3.25 O ATOM 1106 CB ASN A 71 -16.615 2.015 -16.780 1.00 33.43 C ATOM 1107 CG ASN A 71 -17.463 0.814 -16.407 1.00 22.43 C ATOM 1108 OD1 ASN A 71 -18.555 0.957 -15.857 1.00 1.32 O ATOM 1109 ND2 ASN A 71 -16.962 -0.379 -16.705 1.00 23.52 N ATOM 0 H ASN A 71 -18.610 2.245 -18.409 1.00 22.43 H new ATOM 0 HA ASN A 71 -15.760 2.966 -18.507 1.00 21.41 H new ATOM 0 HB2 ASN A 71 -15.614 1.892 -16.366 1.00 33.43 H new ATOM 0 HB3 ASN A 71 -17.040 2.911 -16.327 1.00 33.43 H new ATOM 0 HD21 ASN A 71 -17.487 -1.224 -16.478 1.00 23.52 H new ATOM 0 HD22 ASN A 71 -16.053 -0.451 -17.161 1.00 23.52 H new ATOM 1116 N CYS A 72 -16.870 0.478 -19.953 1.00 72.32 N ATOM 1117 CA CYS A 72 -16.580 -0.756 -20.674 1.00 34.25 C ATOM 1118 C CYS A 72 -16.131 -0.460 -22.101 1.00 43.23 C ATOM 1119 O CYS A 72 -16.545 0.533 -22.700 1.00 60.13 O ATOM 1120 CB CYS A 72 -17.814 -1.662 -20.693 1.00 45.41 C ATOM 1121 SG CYS A 72 -18.588 -1.899 -19.061 1.00 64.22 S ATOM 0 H CYS A 72 -17.703 0.969 -20.276 1.00 72.32 H new ATOM 0 HA CYS A 72 -15.769 -1.268 -20.156 1.00 34.25 H new ATOM 0 HB2 CYS A 72 -18.552 -1.239 -21.375 1.00 45.41 H new ATOM 0 HB3 CYS A 72 -17.531 -2.635 -21.094 1.00 45.41 H new ATOM 1126 N TYR A 73 -15.281 -1.327 -22.640 1.00 73.30 N ATOM 1127 CA TYR A 73 -14.773 -1.158 -23.996 1.00 74.02 C ATOM 1128 C TYR A 73 -14.341 -2.496 -24.587 1.00 61.51 C ATOM 1129 O TYR A 73 -14.121 -3.467 -23.862 1.00 62.03 O ATOM 1130 CB TYR A 73 -13.597 -0.180 -24.004 1.00 60.43 C ATOM 1131 CG TYR A 73 -13.705 0.905 -22.957 1.00 43.35 C ATOM 1132 CD1 TYR A 73 -13.519 0.620 -21.611 1.00 4.15 C ATOM 1133 CD2 TYR A 73 -13.992 2.217 -23.316 1.00 23.22 C ATOM 1134 CE1 TYR A 73 -13.617 1.609 -20.651 1.00 22.22 C ATOM 1135 CE2 TYR A 73 -14.090 3.212 -22.363 1.00 14.30 C ATOM 1136 CZ TYR A 73 -13.903 2.903 -21.032 1.00 3.21 C ATOM 1137 OH TYR A 73 -14.000 3.891 -20.079 1.00 50.31 O ATOM 0 H TYR A 73 -14.929 -2.154 -22.158 1.00 73.30 H new ATOM 0 HA TYR A 73 -15.577 -0.754 -24.610 1.00 74.02 H new ATOM 0 HB2 TYR A 73 -12.672 -0.735 -23.846 1.00 60.43 H new ATOM 0 HB3 TYR A 73 -13.527 0.282 -24.989 1.00 60.43 H new ATOM 0 HD1 TYR A 73 -13.294 -0.392 -21.309 1.00 4.15 H new ATOM 0 HD2 TYR A 73 -14.141 2.462 -24.357 1.00 23.22 H new ATOM 0 HE1 TYR A 73 -13.470 1.370 -19.608 1.00 22.22 H new ATOM 0 HE2 TYR A 73 -14.312 4.227 -22.659 1.00 14.30 H new ATOM 0 HH TYR A 73 -13.111 4.081 -19.713 1.00 50.31 H new ATOM 1147 N LYS A 74 -14.220 -2.541 -25.910 1.00 15.54 N ATOM 1148 CA LYS A 74 -13.813 -3.758 -26.601 1.00 44.31 C ATOM 1149 C LYS A 74 -12.454 -3.574 -27.270 1.00 53.04 C ATOM 1150 O LYS A 74 -12.196 -2.548 -27.900 1.00 64.41 O ATOM 1151 CB LYS A 74 -14.859 -4.150 -27.646 1.00 72.13 C ATOM 1152 CG LYS A 74 -16.080 -4.835 -27.057 1.00 52.21 C ATOM 1153 CD LYS A 74 -17.003 -5.360 -28.144 1.00 34.44 C ATOM 1154 CE LYS A 74 -18.463 -5.081 -27.818 1.00 63.31 C ATOM 1155 NZ LYS A 74 -19.085 -4.158 -28.807 1.00 61.11 N ATOM 0 H LYS A 74 -14.398 -1.747 -26.525 1.00 15.54 H new ATOM 0 HA LYS A 74 -13.730 -4.556 -25.863 1.00 44.31 H new ATOM 0 HB2 LYS A 74 -15.178 -3.256 -28.182 1.00 72.13 H new ATOM 0 HB3 LYS A 74 -14.398 -4.813 -28.378 1.00 72.13 H new ATOM 0 HG2 LYS A 74 -15.763 -5.659 -26.418 1.00 52.21 H new ATOM 0 HG3 LYS A 74 -16.623 -4.132 -26.425 1.00 52.21 H new ATOM 0 HD2 LYS A 74 -16.747 -4.896 -29.096 1.00 34.44 H new ATOM 0 HD3 LYS A 74 -16.854 -6.433 -28.262 1.00 34.44 H new ATOM 0 HE2 LYS A 74 -19.017 -6.020 -27.799 1.00 63.31 H new ATOM 0 HE3 LYS A 74 -18.536 -4.648 -26.821 1.00 63.31 H new ATOM 0 HZ1 LYS A 74 -20.079 -3.993 -28.550 1.00 61.11 H new ATOM 0 HZ2 LYS A 74 -18.573 -3.253 -28.807 1.00 61.11 H new ATOM 0 HZ3 LYS A 74 -19.038 -4.583 -29.755 1.00 61.11 H new ATOM 1169 N SER A 75 -11.591 -4.575 -27.131 1.00 43.20 N ATOM 1170 CA SER A 75 -10.258 -4.522 -27.721 1.00 20.15 C ATOM 1171 C SER A 75 -10.334 -4.180 -29.205 1.00 61.14 C ATOM 1172 O SER A 75 -11.409 -4.195 -29.803 1.00 13.45 O ATOM 1173 CB SER A 75 -9.540 -5.859 -27.530 1.00 24.34 C ATOM 1174 OG SER A 75 -10.002 -6.824 -28.459 1.00 42.22 O ATOM 0 H SER A 75 -11.790 -5.432 -26.615 1.00 43.20 H new ATOM 0 HA SER A 75 -9.694 -3.739 -27.214 1.00 20.15 H new ATOM 0 HB2 SER A 75 -8.466 -5.719 -27.651 1.00 24.34 H new ATOM 0 HB3 SER A 75 -9.702 -6.221 -26.515 1.00 24.34 H new ATOM 0 HG SER A 75 -9.256 -7.121 -29.021 1.00 42.22 H new ATOM 1180 N ASN A 76 -9.183 -3.872 -29.795 1.00 31.51 N ATOM 1181 CA ASN A 76 -9.118 -3.526 -31.210 1.00 41.10 C ATOM 1182 C ASN A 76 -9.014 -4.780 -32.073 1.00 5.21 C ATOM 1183 O ASN A 76 -9.729 -4.925 -33.064 1.00 45.23 O ATOM 1184 CB ASN A 76 -7.923 -2.609 -31.477 1.00 41.53 C ATOM 1185 CG ASN A 76 -7.201 -2.214 -30.204 1.00 3.15 C ATOM 1186 OD1 ASN A 76 -6.047 -2.587 -29.990 1.00 32.33 O ATOM 1187 ND2 ASN A 76 -7.878 -1.455 -29.350 1.00 75.20 N ATOM 0 H ASN A 76 -8.283 -3.855 -29.315 1.00 31.51 H new ATOM 0 HA ASN A 76 -10.037 -3.001 -31.473 1.00 41.10 H new ATOM 0 HB2 ASN A 76 -7.225 -3.112 -32.146 1.00 41.53 H new ATOM 0 HB3 ASN A 76 -8.266 -1.711 -31.991 1.00 41.53 H new ATOM 0 HD21 ASN A 76 -7.443 -1.158 -28.476 1.00 75.20 H new ATOM 0 HD22 ASN A 76 -8.833 -1.169 -29.568 1.00 75.20 H new ATOM 1194 N SER A 77 -8.118 -5.684 -31.688 1.00 12.31 N ATOM 1195 CA SER A 77 -7.918 -6.924 -32.428 1.00 23.34 C ATOM 1196 C SER A 77 -7.916 -8.124 -31.485 1.00 72.34 C ATOM 1197 O SER A 77 -8.034 -7.973 -30.270 1.00 31.05 O ATOM 1198 CB SER A 77 -6.602 -6.871 -33.207 1.00 20.45 C ATOM 1199 OG SER A 77 -5.656 -6.041 -32.555 1.00 33.55 O ATOM 0 H SER A 77 -7.520 -5.581 -30.868 1.00 12.31 H new ATOM 0 HA SER A 77 -8.744 -7.037 -33.131 1.00 23.34 H new ATOM 0 HB2 SER A 77 -6.197 -7.877 -33.311 1.00 20.45 H new ATOM 0 HB3 SER A 77 -6.787 -6.496 -34.214 1.00 20.45 H new ATOM 0 HG SER A 77 -4.823 -6.025 -33.072 1.00 33.55 H new ATOM 1205 N SER A 78 -7.782 -9.317 -32.057 1.00 2.13 N ATOM 1206 CA SER A 78 -7.769 -10.544 -31.270 1.00 23.45 C ATOM 1207 C SER A 78 -6.644 -10.517 -30.239 1.00 12.22 C ATOM 1208 O SER A 78 -5.498 -10.206 -30.563 1.00 14.34 O ATOM 1209 CB SER A 78 -7.608 -11.760 -32.184 1.00 62.12 C ATOM 1210 OG SER A 78 -6.395 -11.692 -32.914 1.00 23.53 O ATOM 0 H SER A 78 -7.681 -9.459 -33.062 1.00 2.13 H new ATOM 0 HA SER A 78 -8.720 -10.618 -30.743 1.00 23.45 H new ATOM 0 HB2 SER A 78 -7.627 -12.672 -31.588 1.00 62.12 H new ATOM 0 HB3 SER A 78 -8.449 -11.814 -32.875 1.00 62.12 H new ATOM 0 HG SER A 78 -5.749 -11.142 -32.424 1.00 23.53 H new ATOM 1216 N MET A 79 -6.981 -10.844 -28.996 1.00 33.52 N ATOM 1217 CA MET A 79 -6.000 -10.859 -27.917 1.00 13.21 C ATOM 1218 C MET A 79 -5.845 -12.263 -27.342 1.00 21.11 C ATOM 1219 O MET A 79 -6.825 -12.894 -26.944 1.00 1.31 O ATOM 1220 CB MET A 79 -6.412 -9.885 -26.811 1.00 74.11 C ATOM 1221 CG MET A 79 -5.623 -8.586 -26.820 1.00 71.01 C ATOM 1222 SD MET A 79 -6.656 -7.144 -26.498 1.00 40.52 S ATOM 1223 CE MET A 79 -5.409 -5.901 -26.167 1.00 21.43 C ATOM 0 H MET A 79 -7.926 -11.102 -28.711 1.00 33.52 H new ATOM 0 HA MET A 79 -5.040 -10.546 -28.328 1.00 13.21 H new ATOM 0 HB2 MET A 79 -7.473 -9.657 -26.916 1.00 74.11 H new ATOM 0 HB3 MET A 79 -6.284 -10.371 -25.844 1.00 74.11 H new ATOM 0 HG2 MET A 79 -4.835 -8.639 -26.069 1.00 71.01 H new ATOM 0 HG3 MET A 79 -5.134 -8.469 -27.787 1.00 71.01 H new ATOM 0 HE1 MET A 79 -5.878 -4.918 -26.125 1.00 21.43 H new ATOM 0 HE2 MET A 79 -4.927 -6.114 -25.213 1.00 21.43 H new ATOM 0 HE3 MET A 79 -4.663 -5.914 -26.961 1.00 21.43 H new ATOM 1233 N HIS A 80 -4.608 -12.748 -27.301 1.00 43.35 N ATOM 1234 CA HIS A 80 -4.325 -14.078 -26.775 1.00 24.13 C ATOM 1235 C HIS A 80 -4.780 -14.196 -25.323 1.00 52.13 C ATOM 1236 O HIS A 80 -4.580 -13.281 -24.524 1.00 23.12 O ATOM 1237 CB HIS A 80 -2.830 -14.383 -26.879 1.00 31.53 C ATOM 1238 CG HIS A 80 -2.495 -15.381 -27.944 1.00 74.25 C ATOM 1239 ND1 HIS A 80 -2.349 -16.729 -27.694 1.00 73.32 N ATOM 1240 CD2 HIS A 80 -2.280 -15.221 -29.271 1.00 42.21 C ATOM 1241 CE1 HIS A 80 -2.057 -17.355 -28.820 1.00 45.34 C ATOM 1242 NE2 HIS A 80 -2.009 -16.462 -29.793 1.00 2.14 N ATOM 0 H HIS A 80 -3.786 -12.239 -27.626 1.00 43.35 H new ATOM 0 HA HIS A 80 -4.879 -14.803 -27.371 1.00 24.13 H new ATOM 0 HB2 HIS A 80 -2.292 -13.456 -27.079 1.00 31.53 H new ATOM 0 HB3 HIS A 80 -2.476 -14.757 -25.918 1.00 31.53 H new ATOM 0 HD2 HIS A 80 -2.315 -14.290 -29.818 1.00 42.21 H new ATOM 0 HE1 HIS A 80 -1.887 -18.416 -28.927 1.00 45.34 H new ATOM 0 HE2 HIS A 80 -1.804 -16.662 -30.772 1.00 2.14 H new ATOM 1250 N ILE A 81 -5.394 -15.327 -24.991 1.00 1.51 N ATOM 1251 CA ILE A 81 -5.877 -15.563 -23.636 1.00 71.13 C ATOM 1252 C ILE A 81 -5.995 -17.056 -23.348 1.00 13.35 C ATOM 1253 O ILE A 81 -5.900 -17.885 -24.253 1.00 42.33 O ATOM 1254 CB ILE A 81 -7.246 -14.896 -23.402 1.00 63.53 C ATOM 1255 CG1 ILE A 81 -8.315 -15.557 -24.275 1.00 41.32 C ATOM 1256 CG2 ILE A 81 -7.165 -13.405 -23.692 1.00 23.14 C ATOM 1257 CD1 ILE A 81 -8.335 -15.044 -25.698 1.00 45.02 C ATOM 0 H ILE A 81 -5.569 -16.093 -25.641 1.00 1.51 H new ATOM 0 HA ILE A 81 -5.147 -15.121 -22.958 1.00 71.13 H new ATOM 0 HB ILE A 81 -7.525 -15.028 -22.357 1.00 63.53 H new ATOM 0 HG12 ILE A 81 -8.147 -16.634 -24.288 1.00 41.32 H new ATOM 0 HG13 ILE A 81 -9.294 -15.392 -23.824 1.00 41.32 H new ATOM 0 HG21 ILE A 81 -8.140 -12.948 -23.522 1.00 23.14 H new ATOM 0 HG22 ILE A 81 -6.429 -12.946 -23.032 1.00 23.14 H new ATOM 0 HG23 ILE A 81 -6.868 -13.252 -24.730 1.00 23.14 H new ATOM 0 HD11 ILE A 81 -9.117 -15.557 -26.259 1.00 45.02 H new ATOM 0 HD12 ILE A 81 -8.533 -13.972 -25.696 1.00 45.02 H new ATOM 0 HD13 ILE A 81 -7.369 -15.233 -26.167 1.00 45.02 H new ATOM 1269 N THR A 82 -6.206 -17.393 -22.079 1.00 3.22 N ATOM 1270 CA THR A 82 -6.338 -18.785 -21.670 1.00 30.42 C ATOM 1271 C THR A 82 -7.544 -18.978 -20.757 1.00 63.11 C ATOM 1272 O THR A 82 -7.529 -18.563 -19.598 1.00 74.21 O ATOM 1273 CB THR A 82 -5.074 -19.280 -20.942 1.00 45.14 C ATOM 1274 OG1 THR A 82 -3.961 -19.289 -21.844 1.00 54.34 O ATOM 1275 CG2 THR A 82 -5.286 -20.676 -20.377 1.00 64.21 C ATOM 0 H THR A 82 -6.289 -16.720 -21.317 1.00 3.22 H new ATOM 0 HA THR A 82 -6.476 -19.369 -22.580 1.00 30.42 H new ATOM 0 HB THR A 82 -4.867 -18.599 -20.116 1.00 45.14 H new ATOM 0 HG1 THR A 82 -3.629 -20.206 -21.945 1.00 54.34 H new ATOM 0 HG21 THR A 82 -4.380 -21.004 -19.868 1.00 64.21 H new ATOM 0 HG22 THR A 82 -6.115 -20.660 -19.669 1.00 64.21 H new ATOM 0 HG23 THR A 82 -5.516 -21.366 -21.189 1.00 64.21 H new ATOM 1283 N ASP A 83 -8.585 -19.610 -21.286 1.00 73.24 N ATOM 1284 CA ASP A 83 -9.799 -19.860 -20.518 1.00 54.30 C ATOM 1285 C ASP A 83 -9.522 -20.807 -19.355 1.00 64.33 C ATOM 1286 O ASP A 83 -8.767 -21.771 -19.492 1.00 52.23 O ATOM 1287 CB ASP A 83 -10.888 -20.444 -21.420 1.00 20.14 C ATOM 1288 CG ASP A 83 -12.180 -19.654 -21.354 1.00 11.12 C ATOM 1289 OD1 ASP A 83 -12.760 -19.557 -20.252 1.00 54.15 O ATOM 1290 OD2 ASP A 83 -12.612 -19.133 -22.404 1.00 23.11 O ATOM 0 H ASP A 83 -8.613 -19.959 -22.244 1.00 73.24 H new ATOM 0 HA ASP A 83 -10.145 -18.909 -20.113 1.00 54.30 H new ATOM 0 HB2 ASP A 83 -10.530 -20.465 -22.449 1.00 20.14 H new ATOM 0 HB3 ASP A 83 -11.082 -21.476 -21.129 1.00 20.14 H new ATOM 1295 N CYS A 84 -10.135 -20.527 -18.210 1.00 51.35 N ATOM 1296 CA CYS A 84 -9.954 -21.352 -17.023 1.00 24.33 C ATOM 1297 C CYS A 84 -11.273 -21.529 -16.276 1.00 3.40 C ATOM 1298 O CYS A 84 -11.718 -20.631 -15.561 1.00 4.15 O ATOM 1299 CB CYS A 84 -8.910 -20.726 -16.096 1.00 22.34 C ATOM 1300 SG CYS A 84 -7.292 -20.439 -16.883 1.00 75.32 S ATOM 0 H CYS A 84 -10.762 -19.733 -18.080 1.00 51.35 H new ATOM 0 HA CYS A 84 -9.604 -22.333 -17.343 1.00 24.33 H new ATOM 0 HB2 CYS A 84 -9.294 -19.777 -15.723 1.00 22.34 H new ATOM 0 HB3 CYS A 84 -8.771 -21.375 -15.232 1.00 22.34 H new ATOM 1305 N ARG A 85 -11.893 -22.691 -16.448 1.00 23.51 N ATOM 1306 CA ARG A 85 -13.161 -22.986 -15.792 1.00 2.44 C ATOM 1307 C ARG A 85 -13.118 -24.352 -15.114 1.00 11.15 C ATOM 1308 O ARG A 85 -12.538 -25.301 -15.642 1.00 73.42 O ATOM 1309 CB ARG A 85 -14.306 -22.943 -16.805 1.00 41.10 C ATOM 1310 CG ARG A 85 -15.658 -23.307 -16.212 1.00 45.45 C ATOM 1311 CD ARG A 85 -16.779 -22.500 -16.847 1.00 54.23 C ATOM 1312 NE ARG A 85 -17.755 -23.354 -17.520 1.00 44.43 N ATOM 1313 CZ ARG A 85 -18.955 -22.936 -17.906 1.00 11.34 C ATOM 1314 NH1 ARG A 85 -19.326 -21.682 -17.686 1.00 14.00 N ATOM 1315 NH2 ARG A 85 -19.787 -23.773 -18.513 1.00 10.54 N ATOM 0 H ARG A 85 -11.538 -23.444 -17.037 1.00 23.51 H new ATOM 0 HA ARG A 85 -13.332 -22.226 -15.029 1.00 2.44 H new ATOM 0 HB2 ARG A 85 -14.364 -21.942 -17.233 1.00 41.10 H new ATOM 0 HB3 ARG A 85 -14.082 -23.627 -17.623 1.00 41.10 H new ATOM 0 HG2 ARG A 85 -15.846 -24.371 -16.358 1.00 45.45 H new ATOM 0 HG3 ARG A 85 -15.645 -23.130 -15.137 1.00 45.45 H new ATOM 0 HD2 ARG A 85 -17.281 -21.911 -16.080 1.00 54.23 H new ATOM 0 HD3 ARG A 85 -16.357 -21.796 -17.565 1.00 54.23 H new ATOM 0 HE ARG A 85 -17.501 -24.325 -17.703 1.00 44.43 H new ATOM 0 HH11 ARG A 85 -18.689 -21.036 -17.219 1.00 14.00 H new ATOM 0 HH12 ARG A 85 -20.248 -21.363 -17.983 1.00 14.00 H new ATOM 0 HH21 ARG A 85 -19.505 -24.738 -18.683 1.00 10.54 H new ATOM 0 HH22 ARG A 85 -20.708 -23.451 -18.809 1.00 10.54 H new ATOM 1329 N LEU A 86 -13.735 -24.444 -13.941 1.00 3.25 N ATOM 1330 CA LEU A 86 -13.767 -25.694 -13.189 1.00 51.11 C ATOM 1331 C LEU A 86 -14.264 -26.842 -14.063 1.00 5.44 C ATOM 1332 O LEU A 86 -15.208 -26.684 -14.837 1.00 12.02 O ATOM 1333 CB LEU A 86 -14.665 -25.549 -11.959 1.00 25.12 C ATOM 1334 CG LEU A 86 -13.978 -25.066 -10.681 1.00 33.35 C ATOM 1335 CD1 LEU A 86 -15.008 -24.762 -9.604 1.00 34.42 C ATOM 1336 CD2 LEU A 86 -12.979 -26.103 -10.188 1.00 2.53 C ATOM 0 H LEU A 86 -14.220 -23.668 -13.490 1.00 3.25 H new ATOM 0 HA LEU A 86 -12.751 -25.921 -12.865 1.00 51.11 H new ATOM 0 HB2 LEU A 86 -15.469 -24.854 -12.201 1.00 25.12 H new ATOM 0 HB3 LEU A 86 -15.128 -26.514 -11.756 1.00 25.12 H new ATOM 0 HG LEU A 86 -13.436 -24.147 -10.907 1.00 33.35 H new ATOM 0 HD11 LEU A 86 -14.501 -24.420 -8.702 1.00 34.42 H new ATOM 0 HD12 LEU A 86 -15.685 -23.984 -9.957 1.00 34.42 H new ATOM 0 HD13 LEU A 86 -15.577 -25.664 -9.380 1.00 34.42 H new ATOM 0 HD21 LEU A 86 -12.500 -25.743 -9.278 1.00 2.53 H new ATOM 0 HD22 LEU A 86 -13.499 -27.038 -9.979 1.00 2.53 H new ATOM 0 HD23 LEU A 86 -12.222 -26.272 -10.954 1.00 2.53 H new ATOM 1348 N THR A 87 -13.622 -27.999 -13.932 1.00 3.52 N ATOM 1349 CA THR A 87 -13.998 -29.173 -14.708 1.00 31.31 C ATOM 1350 C THR A 87 -14.460 -30.307 -13.800 1.00 20.31 C ATOM 1351 O THR A 87 -13.796 -30.639 -12.819 1.00 64.42 O ATOM 1352 CB THR A 87 -12.828 -29.671 -15.577 1.00 62.00 C ATOM 1353 OG1 THR A 87 -11.611 -29.645 -14.822 1.00 53.22 O ATOM 1354 CG2 THR A 87 -12.676 -28.812 -16.823 1.00 61.13 C ATOM 0 H THR A 87 -12.839 -28.147 -13.295 1.00 3.52 H new ATOM 0 HA THR A 87 -14.820 -28.872 -15.357 1.00 31.31 H new ATOM 0 HB THR A 87 -13.042 -30.695 -15.884 1.00 62.00 H new ATOM 0 HG1 THR A 87 -11.666 -28.946 -14.137 1.00 53.22 H new ATOM 0 HG21 THR A 87 -11.844 -29.183 -17.421 1.00 61.13 H new ATOM 0 HG22 THR A 87 -13.593 -28.857 -17.410 1.00 61.13 H new ATOM 0 HG23 THR A 87 -12.482 -27.780 -16.532 1.00 61.13 H new ATOM 1362 N ASN A 88 -15.603 -30.899 -14.134 1.00 4.53 N ATOM 1363 CA ASN A 88 -16.153 -31.996 -13.347 1.00 72.54 C ATOM 1364 C ASN A 88 -16.600 -31.510 -11.972 1.00 23.20 C ATOM 1365 O ASN A 88 -16.279 -32.119 -10.952 1.00 71.34 O ATOM 1366 CB ASN A 88 -15.117 -33.112 -13.195 1.00 0.22 C ATOM 1367 CG ASN A 88 -15.757 -34.474 -13.010 1.00 21.22 C ATOM 1368 OD1 ASN A 88 -15.619 -35.099 -11.958 1.00 71.43 O ATOM 1369 ND2 ASN A 88 -16.461 -34.941 -14.034 1.00 52.23 N ATOM 0 H ASN A 88 -16.165 -30.637 -14.944 1.00 4.53 H new ATOM 0 HA ASN A 88 -17.023 -32.387 -13.874 1.00 72.54 H new ATOM 0 HB2 ASN A 88 -14.476 -33.132 -14.076 1.00 0.22 H new ATOM 0 HB3 ASN A 88 -14.477 -32.895 -12.340 1.00 0.22 H new ATOM 0 HD21 ASN A 88 -16.914 -35.852 -13.968 1.00 52.23 H new ATOM 0 HD22 ASN A 88 -16.549 -34.388 -14.887 1.00 52.23 H new ATOM 1376 N GLY A 89 -17.343 -30.408 -11.952 1.00 40.24 N ATOM 1377 CA GLY A 89 -17.822 -29.858 -10.698 1.00 31.44 C ATOM 1378 C GLY A 89 -16.766 -29.887 -9.611 1.00 24.40 C ATOM 1379 O GLY A 89 -17.087 -29.972 -8.426 1.00 22.33 O ATOM 0 H GLY A 89 -17.622 -29.886 -12.783 1.00 40.24 H new ATOM 0 HA2 GLY A 89 -18.148 -28.830 -10.857 1.00 31.44 H new ATOM 0 HA3 GLY A 89 -18.695 -30.421 -10.368 1.00 31.44 H new ATOM 1383 N SER A 90 -15.501 -29.818 -10.015 1.00 72.40 N ATOM 1384 CA SER A 90 -14.393 -29.843 -9.067 1.00 54.11 C ATOM 1385 C SER A 90 -14.587 -28.793 -7.978 1.00 14.53 C ATOM 1386 O SER A 90 -14.888 -27.633 -8.264 1.00 64.51 O ATOM 1387 CB SER A 90 -13.068 -29.603 -9.793 1.00 12.32 C ATOM 1388 OG SER A 90 -12.586 -30.797 -10.383 1.00 71.40 O ATOM 0 H SER A 90 -15.218 -29.744 -10.992 1.00 72.40 H new ATOM 0 HA SER A 90 -14.369 -30.827 -8.599 1.00 54.11 H new ATOM 0 HB2 SER A 90 -13.204 -28.843 -10.562 1.00 12.32 H new ATOM 0 HB3 SER A 90 -12.329 -29.217 -9.090 1.00 12.32 H new ATOM 0 HG SER A 90 -12.896 -30.851 -11.311 1.00 71.40 H new ATOM 1394 N ARG A 91 -14.414 -29.207 -6.727 1.00 65.31 N ATOM 1395 CA ARG A 91 -14.570 -28.304 -5.594 1.00 14.33 C ATOM 1396 C ARG A 91 -13.330 -28.325 -4.706 1.00 3.13 C ATOM 1397 O ARG A 91 -12.570 -29.294 -4.706 1.00 42.34 O ATOM 1398 CB ARG A 91 -15.804 -28.688 -4.774 1.00 63.44 C ATOM 1399 CG ARG A 91 -16.131 -27.701 -3.666 1.00 23.20 C ATOM 1400 CD ARG A 91 -16.496 -26.336 -4.226 1.00 54.42 C ATOM 1401 NE ARG A 91 -17.719 -26.381 -5.024 1.00 1.31 N ATOM 1402 CZ ARG A 91 -18.007 -25.501 -5.977 1.00 35.51 C ATOM 1403 NH1 ARG A 91 -17.165 -24.514 -6.250 1.00 35.33 N ATOM 1404 NH2 ARG A 91 -19.140 -25.609 -6.660 1.00 32.04 N ATOM 0 H ARG A 91 -14.166 -30.163 -6.473 1.00 65.31 H new ATOM 0 HA ARG A 91 -14.700 -27.294 -5.983 1.00 14.33 H new ATOM 0 HB2 ARG A 91 -16.662 -28.769 -5.441 1.00 63.44 H new ATOM 0 HB3 ARG A 91 -15.646 -29.674 -4.336 1.00 63.44 H new ATOM 0 HG2 ARG A 91 -16.959 -28.084 -3.069 1.00 23.20 H new ATOM 0 HG3 ARG A 91 -15.275 -27.605 -2.999 1.00 23.20 H new ATOM 0 HD2 ARG A 91 -16.624 -25.630 -3.405 1.00 54.42 H new ATOM 0 HD3 ARG A 91 -15.676 -25.965 -4.840 1.00 54.42 H new ATOM 0 HE ARG A 91 -18.388 -27.128 -4.840 1.00 1.31 H new ATOM 0 HH11 ARG A 91 -16.293 -24.428 -5.728 1.00 35.33 H new ATOM 0 HH12 ARG A 91 -17.389 -23.840 -6.982 1.00 35.33 H new ATOM 0 HH21 ARG A 91 -19.790 -26.368 -6.453 1.00 32.04 H new ATOM 0 HH22 ARG A 91 -19.361 -24.933 -7.392 1.00 32.04 H new ATOM 1418 N TYR A 92 -13.131 -27.251 -3.950 1.00 40.43 N ATOM 1419 CA TYR A 92 -11.981 -27.144 -3.060 1.00 32.31 C ATOM 1420 C TYR A 92 -11.877 -28.369 -2.156 1.00 60.12 C ATOM 1421 O TYR A 92 -12.874 -28.892 -1.659 1.00 33.33 O ATOM 1422 CB TYR A 92 -12.083 -25.877 -2.210 1.00 14.31 C ATOM 1423 CG TYR A 92 -10.931 -25.699 -1.247 1.00 35.23 C ATOM 1424 CD1 TYR A 92 -10.738 -26.585 -0.194 1.00 21.30 C ATOM 1425 CD2 TYR A 92 -10.038 -24.645 -1.388 1.00 65.24 C ATOM 1426 CE1 TYR A 92 -9.687 -26.427 0.689 1.00 13.21 C ATOM 1427 CE2 TYR A 92 -8.983 -24.480 -0.511 1.00 54.21 C ATOM 1428 CZ TYR A 92 -8.813 -25.373 0.526 1.00 4.10 C ATOM 1429 OH TYR A 92 -7.765 -25.211 1.403 1.00 44.31 O ATOM 0 H TYR A 92 -13.752 -26.442 -3.936 1.00 40.43 H new ATOM 0 HA TYR A 92 -11.082 -27.090 -3.674 1.00 32.31 H new ATOM 0 HB2 TYR A 92 -12.132 -25.010 -2.869 1.00 14.31 H new ATOM 0 HB3 TYR A 92 -13.016 -25.902 -1.647 1.00 14.31 H new ATOM 0 HD1 TYR A 92 -11.421 -27.411 -0.064 1.00 21.30 H new ATOM 0 HD2 TYR A 92 -10.170 -23.942 -2.197 1.00 65.24 H new ATOM 0 HE1 TYR A 92 -9.551 -27.125 1.502 1.00 13.21 H new ATOM 0 HE2 TYR A 92 -8.296 -23.657 -0.637 1.00 54.21 H new ATOM 0 HH TYR A 92 -7.371 -24.322 1.281 1.00 44.31 H new ATOM 1439 N PRO A 93 -10.639 -28.838 -1.938 1.00 35.04 N ATOM 1440 CA PRO A 93 -9.445 -28.224 -2.525 1.00 0.22 C ATOM 1441 C PRO A 93 -9.365 -28.437 -4.033 1.00 11.14 C ATOM 1442 O PRO A 93 -8.609 -27.758 -4.726 1.00 12.54 O ATOM 1443 CB PRO A 93 -8.293 -28.945 -1.821 1.00 62.10 C ATOM 1444 CG PRO A 93 -8.862 -30.260 -1.412 1.00 53.40 C ATOM 1445 CD PRO A 93 -10.311 -30.004 -1.101 1.00 31.32 C ATOM 0 HA PRO A 93 -9.435 -27.142 -2.390 1.00 0.22 H new ATOM 0 HB2 PRO A 93 -7.440 -29.073 -2.487 1.00 62.10 H new ATOM 0 HB3 PRO A 93 -7.941 -28.380 -0.958 1.00 62.10 H new ATOM 0 HG2 PRO A 93 -8.758 -30.996 -2.210 1.00 53.40 H new ATOM 0 HG3 PRO A 93 -8.340 -30.658 -0.542 1.00 53.40 H new ATOM 0 HD2 PRO A 93 -10.933 -30.864 -1.349 1.00 31.32 H new ATOM 0 HD3 PRO A 93 -10.464 -29.794 -0.042 1.00 31.32 H new ATOM 1453 N ASN A 94 -10.151 -29.385 -4.534 1.00 45.30 N ATOM 1454 CA ASN A 94 -10.168 -29.687 -5.961 1.00 32.04 C ATOM 1455 C ASN A 94 -10.547 -28.453 -6.774 1.00 10.24 C ATOM 1456 O ASN A 94 -11.705 -28.033 -6.783 1.00 4.03 O ATOM 1457 CB ASN A 94 -11.151 -30.824 -6.250 1.00 42.51 C ATOM 1458 CG ASN A 94 -11.474 -31.637 -5.012 1.00 74.51 C ATOM 1459 OD1 ASN A 94 -10.591 -31.953 -4.215 1.00 11.03 O ATOM 1460 ND2 ASN A 94 -12.746 -31.982 -4.846 1.00 52.34 N ATOM 0 H ASN A 94 -10.784 -29.956 -3.974 1.00 45.30 H new ATOM 0 HA ASN A 94 -9.165 -29.998 -6.254 1.00 32.04 H new ATOM 0 HB2 ASN A 94 -12.072 -30.409 -6.659 1.00 42.51 H new ATOM 0 HB3 ASN A 94 -10.730 -31.480 -7.012 1.00 42.51 H new ATOM 0 HD21 ASN A 94 -13.024 -32.531 -4.032 1.00 52.34 H new ATOM 0 HD22 ASN A 94 -13.445 -31.698 -5.532 1.00 52.34 H new ATOM 1467 N CYS A 95 -9.564 -27.876 -7.456 1.00 44.01 N ATOM 1468 CA CYS A 95 -9.792 -26.690 -8.273 1.00 20.12 C ATOM 1469 C CYS A 95 -9.489 -26.974 -9.741 1.00 63.21 C ATOM 1470 O CYS A 95 -9.298 -26.054 -10.536 1.00 14.15 O ATOM 1471 CB CYS A 95 -8.927 -25.530 -7.777 1.00 41.43 C ATOM 1472 SG CYS A 95 -9.736 -24.480 -6.527 1.00 24.53 S ATOM 0 H CYS A 95 -8.601 -28.211 -7.459 1.00 44.01 H new ATOM 0 HA CYS A 95 -10.843 -26.415 -8.184 1.00 20.12 H new ATOM 0 HB2 CYS A 95 -8.005 -25.932 -7.357 1.00 41.43 H new ATOM 0 HB3 CYS A 95 -8.645 -24.911 -8.629 1.00 41.43 H new ATOM 1477 N ALA A 96 -9.446 -28.255 -10.094 1.00 1.14 N ATOM 1478 CA ALA A 96 -9.168 -28.661 -11.466 1.00 15.31 C ATOM 1479 C ALA A 96 -9.985 -27.838 -12.457 1.00 63.22 C ATOM 1480 O ALA A 96 -11.176 -28.082 -12.649 1.00 32.45 O ATOM 1481 CB ALA A 96 -9.455 -30.144 -11.646 1.00 30.12 C ATOM 0 H ALA A 96 -9.600 -29.029 -9.448 1.00 1.14 H new ATOM 0 HA ALA A 96 -8.112 -28.480 -11.666 1.00 15.31 H new ATOM 0 HB1 ALA A 96 -9.243 -30.433 -12.675 1.00 30.12 H new ATOM 0 HB2 ALA A 96 -8.825 -30.721 -10.970 1.00 30.12 H new ATOM 0 HB3 ALA A 96 -10.503 -30.341 -11.422 1.00 30.12 H new ATOM 1487 N TYR A 97 -9.337 -26.863 -13.084 1.00 44.03 N ATOM 1488 CA TYR A 97 -10.004 -26.002 -14.054 1.00 24.11 C ATOM 1489 C TYR A 97 -9.770 -26.501 -15.477 1.00 2.33 C ATOM 1490 O TYR A 97 -9.102 -27.512 -15.690 1.00 24.52 O ATOM 1491 CB TYR A 97 -9.505 -24.563 -13.918 1.00 4.35 C ATOM 1492 CG TYR A 97 -9.577 -24.028 -12.505 1.00 62.00 C ATOM 1493 CD1 TYR A 97 -10.773 -24.040 -11.797 1.00 45.02 C ATOM 1494 CD2 TYR A 97 -8.450 -23.510 -11.879 1.00 30.14 C ATOM 1495 CE1 TYR A 97 -10.844 -23.552 -10.507 1.00 5.03 C ATOM 1496 CE2 TYR A 97 -8.511 -23.021 -10.588 1.00 74.40 C ATOM 1497 CZ TYR A 97 -9.710 -23.044 -9.906 1.00 73.23 C ATOM 1498 OH TYR A 97 -9.776 -22.557 -8.621 1.00 61.01 O ATOM 0 H TYR A 97 -8.350 -26.649 -12.938 1.00 44.03 H new ATOM 0 HA TYR A 97 -11.074 -26.029 -13.850 1.00 24.11 H new ATOM 0 HB2 TYR A 97 -8.473 -24.511 -14.265 1.00 4.35 H new ATOM 0 HB3 TYR A 97 -10.094 -23.920 -14.572 1.00 4.35 H new ATOM 0 HD1 TYR A 97 -11.662 -24.438 -12.264 1.00 45.02 H new ATOM 0 HD2 TYR A 97 -7.510 -23.489 -12.411 1.00 30.14 H new ATOM 0 HE1 TYR A 97 -11.782 -23.568 -9.971 1.00 5.03 H new ATOM 0 HE2 TYR A 97 -7.625 -22.623 -10.116 1.00 74.40 H new ATOM 0 HH TYR A 97 -10.104 -23.259 -8.021 1.00 61.01 H new ATOM 1508 N ARG A 98 -10.325 -25.782 -16.447 1.00 61.11 N ATOM 1509 CA ARG A 98 -10.178 -26.150 -17.850 1.00 70.31 C ATOM 1510 C ARG A 98 -9.348 -25.113 -18.600 1.00 63.04 C ATOM 1511 O ARG A 98 -9.764 -23.965 -18.760 1.00 1.04 O ATOM 1512 CB ARG A 98 -11.552 -26.293 -18.508 1.00 45.14 C ATOM 1513 CG ARG A 98 -11.594 -25.792 -19.943 1.00 32.50 C ATOM 1514 CD ARG A 98 -12.695 -26.476 -20.739 1.00 21.20 C ATOM 1515 NE ARG A 98 -12.259 -27.759 -21.285 1.00 54.31 N ATOM 1516 CZ ARG A 98 -11.509 -27.877 -22.375 1.00 10.31 C ATOM 1517 NH1 ARG A 98 -11.113 -26.795 -23.031 1.00 44.01 N ATOM 1518 NH2 ARG A 98 -11.153 -29.079 -22.810 1.00 53.30 N ATOM 0 H ARG A 98 -10.880 -24.942 -16.287 1.00 61.11 H new ATOM 0 HA ARG A 98 -9.659 -27.107 -17.896 1.00 70.31 H new ATOM 0 HB2 ARG A 98 -11.847 -27.342 -18.489 1.00 45.14 H new ATOM 0 HB3 ARG A 98 -12.287 -25.745 -17.919 1.00 45.14 H new ATOM 0 HG2 ARG A 98 -11.755 -24.714 -19.949 1.00 32.50 H new ATOM 0 HG3 ARG A 98 -10.631 -25.973 -20.421 1.00 32.50 H new ATOM 0 HD2 ARG A 98 -13.563 -26.631 -20.098 1.00 21.20 H new ATOM 0 HD3 ARG A 98 -13.012 -25.824 -21.553 1.00 21.20 H new ATOM 0 HE ARG A 98 -12.546 -28.611 -20.803 1.00 54.31 H new ATOM 0 HH11 ARG A 98 -11.384 -25.869 -22.699 1.00 44.01 H new ATOM 0 HH12 ARG A 98 -10.537 -26.888 -23.868 1.00 44.01 H new ATOM 0 HH21 ARG A 98 -11.455 -29.913 -22.307 1.00 53.30 H new ATOM 0 HH22 ARG A 98 -10.577 -29.168 -23.647 1.00 53.30 H new ATOM 1532 N THR A 99 -8.170 -25.525 -19.060 1.00 1.24 N ATOM 1533 CA THR A 99 -7.280 -24.632 -19.791 1.00 52.02 C ATOM 1534 C THR A 99 -7.574 -24.667 -21.287 1.00 23.44 C ATOM 1535 O THR A 99 -7.176 -25.600 -21.985 1.00 45.51 O ATOM 1536 CB THR A 99 -5.802 -24.999 -19.561 1.00 31.12 C ATOM 1537 OG1 THR A 99 -5.580 -25.290 -18.177 1.00 23.54 O ATOM 1538 CG2 THR A 99 -4.888 -23.865 -19.999 1.00 11.43 C ATOM 0 H THR A 99 -7.811 -26.472 -18.939 1.00 1.24 H new ATOM 0 HA THR A 99 -7.460 -23.626 -19.411 1.00 52.02 H new ATOM 0 HB THR A 99 -5.572 -25.881 -20.159 1.00 31.12 H new ATOM 0 HG1 THR A 99 -5.115 -26.149 -18.094 1.00 23.54 H new ATOM 0 HG21 THR A 99 -3.849 -24.148 -19.827 1.00 11.43 H new ATOM 0 HG22 THR A 99 -5.039 -23.665 -21.060 1.00 11.43 H new ATOM 0 HG23 THR A 99 -5.120 -22.968 -19.425 1.00 11.43 H new ATOM 1546 N SER A 100 -8.272 -23.646 -21.772 1.00 71.13 N ATOM 1547 CA SER A 100 -8.622 -23.562 -23.186 1.00 24.35 C ATOM 1548 C SER A 100 -7.827 -22.458 -23.877 1.00 75.30 C ATOM 1549 O SER A 100 -8.153 -21.274 -23.787 1.00 32.41 O ATOM 1550 CB SER A 100 -10.121 -23.306 -23.347 1.00 51.44 C ATOM 1551 OG SER A 100 -10.579 -23.739 -24.617 1.00 24.14 O ATOM 0 H SER A 100 -8.607 -22.865 -21.208 1.00 71.13 H new ATOM 0 HA SER A 100 -8.372 -24.513 -23.655 1.00 24.35 H new ATOM 0 HB2 SER A 100 -10.669 -23.828 -22.562 1.00 51.44 H new ATOM 0 HB3 SER A 100 -10.327 -22.242 -23.226 1.00 51.44 H new ATOM 0 HG SER A 100 -11.540 -23.566 -24.694 1.00 24.14 H new ATOM 1557 N PRO A 101 -6.759 -22.854 -24.585 1.00 11.30 N ATOM 1558 CA PRO A 101 -5.896 -21.914 -25.307 1.00 24.25 C ATOM 1559 C PRO A 101 -6.592 -21.299 -26.516 1.00 4.23 C ATOM 1560 O PRO A 101 -7.157 -22.009 -27.348 1.00 2.31 O ATOM 1561 CB PRO A 101 -4.719 -22.785 -25.753 1.00 23.22 C ATOM 1562 CG PRO A 101 -5.274 -24.166 -25.820 1.00 65.14 C ATOM 1563 CD PRO A 101 -6.312 -24.249 -24.736 1.00 0.40 C ATOM 0 HA PRO A 101 -5.606 -21.067 -24.685 1.00 24.25 H new ATOM 0 HB2 PRO A 101 -4.335 -22.465 -26.722 1.00 23.22 H new ATOM 0 HB3 PRO A 101 -3.892 -22.725 -25.046 1.00 23.22 H new ATOM 0 HG2 PRO A 101 -5.714 -24.362 -26.798 1.00 65.14 H new ATOM 0 HG3 PRO A 101 -4.491 -24.909 -25.668 1.00 65.14 H new ATOM 0 HD2 PRO A 101 -7.135 -24.907 -25.017 1.00 0.40 H new ATOM 0 HD3 PRO A 101 -5.894 -24.640 -23.808 1.00 0.40 H new ATOM 1571 N LYS A 102 -6.547 -19.974 -26.608 1.00 23.14 N ATOM 1572 CA LYS A 102 -7.171 -19.262 -27.716 1.00 52.11 C ATOM 1573 C LYS A 102 -6.725 -17.804 -27.746 1.00 41.34 C ATOM 1574 O LYS A 102 -6.065 -17.328 -26.823 1.00 30.41 O ATOM 1575 CB LYS A 102 -8.696 -19.338 -27.604 1.00 4.54 C ATOM 1576 CG LYS A 102 -9.333 -20.288 -28.603 1.00 2.42 C ATOM 1577 CD LYS A 102 -9.809 -21.565 -27.932 1.00 62.21 C ATOM 1578 CE LYS A 102 -11.224 -21.925 -28.359 1.00 64.22 C ATOM 1579 NZ LYS A 102 -11.555 -23.342 -28.043 1.00 63.32 N ATOM 0 H LYS A 102 -6.084 -19.371 -25.927 1.00 23.14 H new ATOM 0 HA LYS A 102 -6.857 -19.739 -28.644 1.00 52.11 H new ATOM 0 HB2 LYS A 102 -8.962 -19.653 -26.595 1.00 4.54 H new ATOM 0 HB3 LYS A 102 -9.112 -18.341 -27.747 1.00 4.54 H new ATOM 0 HG2 LYS A 102 -10.175 -19.795 -29.089 1.00 2.42 H new ATOM 0 HG3 LYS A 102 -8.613 -20.533 -29.384 1.00 2.42 H new ATOM 0 HD2 LYS A 102 -9.133 -22.383 -28.183 1.00 62.21 H new ATOM 0 HD3 LYS A 102 -9.774 -21.443 -26.849 1.00 62.21 H new ATOM 0 HE2 LYS A 102 -11.933 -21.266 -27.858 1.00 64.22 H new ATOM 0 HE3 LYS A 102 -11.334 -21.757 -29.430 1.00 64.22 H new ATOM 0 HZ1 LYS A 102 -12.527 -23.548 -28.349 1.00 63.32 H new ATOM 0 HZ2 LYS A 102 -10.894 -23.972 -28.541 1.00 63.32 H new ATOM 0 HZ3 LYS A 102 -11.475 -23.497 -27.018 1.00 63.32 H new ATOM 1593 N GLU A 103 -7.091 -17.099 -28.813 1.00 22.41 N ATOM 1594 CA GLU A 103 -6.728 -15.695 -28.961 1.00 43.04 C ATOM 1595 C GLU A 103 -7.788 -14.940 -29.758 1.00 60.22 C ATOM 1596 O GLU A 103 -7.871 -15.070 -30.980 1.00 32.34 O ATOM 1597 CB GLU A 103 -5.368 -15.567 -29.652 1.00 11.03 C ATOM 1598 CG GLU A 103 -5.240 -16.415 -30.906 1.00 10.01 C ATOM 1599 CD GLU A 103 -3.986 -16.099 -31.698 1.00 73.03 C ATOM 1600 OE1 GLU A 103 -3.669 -14.901 -31.853 1.00 12.12 O ATOM 1601 OE2 GLU A 103 -3.323 -17.049 -32.164 1.00 2.23 O ATOM 0 H GLU A 103 -7.638 -17.477 -29.586 1.00 22.41 H new ATOM 0 HA GLU A 103 -6.665 -15.256 -27.965 1.00 43.04 H new ATOM 0 HB2 GLU A 103 -5.199 -14.522 -29.912 1.00 11.03 H new ATOM 0 HB3 GLU A 103 -4.585 -15.852 -28.949 1.00 11.03 H new ATOM 0 HG2 GLU A 103 -5.234 -17.469 -30.628 1.00 10.01 H new ATOM 0 HG3 GLU A 103 -6.114 -16.257 -31.538 1.00 10.01 H new ATOM 1608 N ARG A 104 -8.596 -14.152 -29.057 1.00 54.25 N ATOM 1609 CA ARG A 104 -9.652 -13.377 -29.698 1.00 75.42 C ATOM 1610 C ARG A 104 -9.919 -12.084 -28.933 1.00 71.41 C ATOM 1611 O ARG A 104 -9.369 -11.865 -27.853 1.00 53.13 O ATOM 1612 CB ARG A 104 -10.937 -14.203 -29.788 1.00 61.42 C ATOM 1613 CG ARG A 104 -11.573 -14.192 -31.169 1.00 22.33 C ATOM 1614 CD ARG A 104 -10.884 -15.170 -32.107 1.00 62.53 C ATOM 1615 NE ARG A 104 -10.718 -14.617 -33.449 1.00 24.24 N ATOM 1616 CZ ARG A 104 -10.593 -15.363 -34.541 1.00 0.11 C ATOM 1617 NH1 ARG A 104 -10.616 -16.685 -34.451 1.00 31.51 N ATOM 1618 NH2 ARG A 104 -10.445 -14.786 -35.726 1.00 53.45 N ATOM 0 H ARG A 104 -8.540 -14.033 -28.045 1.00 54.25 H new ATOM 0 HA ARG A 104 -9.320 -13.122 -30.704 1.00 75.42 H new ATOM 0 HB2 ARG A 104 -10.717 -15.233 -29.507 1.00 61.42 H new ATOM 0 HB3 ARG A 104 -11.656 -13.821 -29.063 1.00 61.42 H new ATOM 0 HG2 ARG A 104 -12.629 -14.448 -31.086 1.00 22.33 H new ATOM 0 HG3 ARG A 104 -11.520 -13.187 -31.587 1.00 22.33 H new ATOM 0 HD2 ARG A 104 -9.908 -15.435 -31.701 1.00 62.53 H new ATOM 0 HD3 ARG A 104 -11.466 -16.090 -32.163 1.00 62.53 H new ATOM 0 HE ARG A 104 -10.697 -13.603 -33.553 1.00 24.24 H new ATOM 0 HH11 ARG A 104 -10.730 -17.132 -33.541 1.00 31.51 H new ATOM 0 HH12 ARG A 104 -10.520 -17.255 -35.291 1.00 31.51 H new ATOM 0 HH21 ARG A 104 -10.427 -13.769 -35.799 1.00 53.45 H new ATOM 0 HH22 ARG A 104 -10.349 -15.359 -36.564 1.00 53.45 H new ATOM 1632 N HIS A 105 -10.766 -11.231 -29.500 1.00 61.03 N ATOM 1633 CA HIS A 105 -11.106 -9.959 -28.872 1.00 24.43 C ATOM 1634 C HIS A 105 -11.557 -10.170 -27.430 1.00 11.34 C ATOM 1635 O HIS A 105 -11.884 -11.287 -27.028 1.00 54.15 O ATOM 1636 CB HIS A 105 -12.205 -9.252 -29.665 1.00 1.04 C ATOM 1637 CG HIS A 105 -11.930 -9.178 -31.135 1.00 62.00 C ATOM 1638 ND1 HIS A 105 -11.589 -8.007 -31.779 1.00 73.20 N ATOM 1639 CD2 HIS A 105 -11.945 -10.139 -32.088 1.00 22.21 C ATOM 1640 CE1 HIS A 105 -11.408 -8.251 -33.065 1.00 34.13 C ATOM 1641 NE2 HIS A 105 -11.618 -9.538 -33.278 1.00 44.32 N ATOM 0 H HIS A 105 -11.230 -11.397 -30.393 1.00 61.03 H new ATOM 0 HA HIS A 105 -10.213 -9.333 -28.867 1.00 24.43 H new ATOM 0 HB2 HIS A 105 -13.149 -9.773 -29.506 1.00 1.04 H new ATOM 0 HB3 HIS A 105 -12.330 -8.242 -29.276 1.00 1.04 H new ATOM 0 HD2 HIS A 105 -12.172 -11.184 -31.940 1.00 22.21 H new ATOM 0 HE1 HIS A 105 -11.135 -7.523 -33.814 1.00 34.13 H new ATOM 0 HE2 HIS A 105 -11.548 -10.009 -34.180 1.00 44.32 H new ATOM 1649 N ILE A 106 -11.571 -9.090 -26.656 1.00 13.32 N ATOM 1650 CA ILE A 106 -11.983 -9.157 -25.259 1.00 40.31 C ATOM 1651 C ILE A 106 -12.585 -7.833 -24.799 1.00 73.34 C ATOM 1652 O ILE A 106 -12.299 -6.779 -25.367 1.00 41.05 O ATOM 1653 CB ILE A 106 -10.800 -9.516 -24.340 1.00 74.23 C ATOM 1654 CG1 ILE A 106 -9.479 -9.094 -24.985 1.00 64.43 C ATOM 1655 CG2 ILE A 106 -10.797 -11.008 -24.040 1.00 14.41 C ATOM 1656 CD1 ILE A 106 -8.472 -8.546 -23.998 1.00 32.31 C ATOM 0 H ILE A 106 -11.302 -8.158 -26.972 1.00 13.32 H new ATOM 0 HA ILE A 106 -12.738 -9.940 -25.190 1.00 40.31 H new ATOM 0 HB ILE A 106 -10.912 -8.976 -23.400 1.00 74.23 H new ATOM 0 HG12 ILE A 106 -9.044 -9.952 -25.497 1.00 64.43 H new ATOM 0 HG13 ILE A 106 -9.680 -8.338 -25.744 1.00 64.43 H new ATOM 0 HG21 ILE A 106 -9.955 -11.247 -23.390 1.00 14.41 H new ATOM 0 HG22 ILE A 106 -11.728 -11.281 -23.544 1.00 14.41 H new ATOM 0 HG23 ILE A 106 -10.705 -11.566 -24.972 1.00 14.41 H new ATOM 0 HD11 ILE A 106 -7.560 -8.267 -24.526 1.00 32.31 H new ATOM 0 HD12 ILE A 106 -8.888 -7.668 -23.503 1.00 32.31 H new ATOM 0 HD13 ILE A 106 -8.242 -9.307 -23.253 1.00 32.31 H new ATOM 1668 N ILE A 107 -13.419 -7.896 -23.767 1.00 32.21 N ATOM 1669 CA ILE A 107 -14.059 -6.702 -23.229 1.00 34.30 C ATOM 1670 C ILE A 107 -13.722 -6.515 -21.754 1.00 0.13 C ATOM 1671 O ILE A 107 -14.057 -7.354 -20.918 1.00 25.33 O ATOM 1672 CB ILE A 107 -15.590 -6.763 -23.390 1.00 61.02 C ATOM 1673 CG1 ILE A 107 -15.964 -7.633 -24.592 1.00 42.33 C ATOM 1674 CG2 ILE A 107 -16.162 -5.362 -23.545 1.00 12.11 C ATOM 1675 CD1 ILE A 107 -17.431 -7.563 -24.955 1.00 64.43 C ATOM 0 H ILE A 107 -13.667 -8.761 -23.287 1.00 32.21 H new ATOM 0 HA ILE A 107 -13.675 -5.855 -23.797 1.00 34.30 H new ATOM 0 HB ILE A 107 -16.017 -7.212 -22.493 1.00 61.02 H new ATOM 0 HG12 ILE A 107 -15.370 -7.325 -25.452 1.00 42.33 H new ATOM 0 HG13 ILE A 107 -15.700 -8.668 -24.377 1.00 42.33 H new ATOM 0 HG21 ILE A 107 -17.245 -5.421 -23.658 1.00 12.11 H new ATOM 0 HG22 ILE A 107 -15.921 -4.771 -22.661 1.00 12.11 H new ATOM 0 HG23 ILE A 107 -15.731 -4.888 -24.427 1.00 12.11 H new ATOM 0 HD11 ILE A 107 -17.624 -8.204 -25.815 1.00 64.43 H new ATOM 0 HD12 ILE A 107 -18.031 -7.900 -24.110 1.00 64.43 H new ATOM 0 HD13 ILE A 107 -17.696 -6.535 -25.202 1.00 64.43 H new ATOM 1687 N VAL A 108 -13.058 -5.407 -21.440 1.00 53.42 N ATOM 1688 CA VAL A 108 -12.678 -5.107 -20.065 1.00 42.51 C ATOM 1689 C VAL A 108 -13.211 -3.745 -19.632 1.00 65.31 C ATOM 1690 O VAL A 108 -13.522 -2.895 -20.466 1.00 23.42 O ATOM 1691 CB VAL A 108 -11.148 -5.127 -19.889 1.00 2.50 C ATOM 1692 CG1 VAL A 108 -10.670 -6.525 -19.530 1.00 23.05 C ATOM 1693 CG2 VAL A 108 -10.460 -4.627 -21.151 1.00 11.14 C ATOM 0 H VAL A 108 -12.772 -4.702 -22.120 1.00 53.42 H new ATOM 0 HA VAL A 108 -13.119 -5.882 -19.438 1.00 42.51 H new ATOM 0 HB VAL A 108 -10.885 -4.458 -19.070 1.00 2.50 H new ATOM 0 HG11 VAL A 108 -9.587 -6.519 -19.410 1.00 23.05 H new ATOM 0 HG12 VAL A 108 -11.137 -6.841 -18.597 1.00 23.05 H new ATOM 0 HG13 VAL A 108 -10.943 -7.218 -20.325 1.00 23.05 H new ATOM 0 HG21 VAL A 108 -9.379 -4.648 -21.009 1.00 11.14 H new ATOM 0 HG22 VAL A 108 -10.728 -5.269 -21.990 1.00 11.14 H new ATOM 0 HG23 VAL A 108 -10.779 -3.606 -21.359 1.00 11.14 H new ATOM 1703 N ALA A 109 -13.313 -3.545 -18.322 1.00 65.42 N ATOM 1704 CA ALA A 109 -13.805 -2.286 -17.778 1.00 33.33 C ATOM 1705 C ALA A 109 -12.680 -1.496 -17.118 1.00 54.44 C ATOM 1706 O ALA A 109 -12.272 -1.796 -15.996 1.00 44.32 O ATOM 1707 CB ALA A 109 -14.926 -2.545 -16.781 1.00 42.34 C ATOM 0 H ALA A 109 -13.061 -4.239 -17.618 1.00 65.42 H new ATOM 0 HA ALA A 109 -14.196 -1.690 -18.603 1.00 33.33 H new ATOM 0 HB1 ALA A 109 -15.285 -1.596 -16.382 1.00 42.34 H new ATOM 0 HB2 ALA A 109 -15.745 -3.061 -17.281 1.00 42.34 H new ATOM 0 HB3 ALA A 109 -14.552 -3.163 -15.965 1.00 42.34 H new ATOM 1713 N CYS A 110 -12.183 -0.484 -17.822 1.00 61.33 N ATOM 1714 CA CYS A 110 -11.104 0.350 -17.306 1.00 71.43 C ATOM 1715 C CYS A 110 -11.658 1.614 -16.655 1.00 64.14 C ATOM 1716 O CYS A 110 -12.736 2.087 -17.013 1.00 62.44 O ATOM 1717 CB CYS A 110 -10.137 0.723 -18.432 1.00 14.43 C ATOM 1718 SG CYS A 110 -10.899 0.757 -20.086 1.00 74.41 S ATOM 0 H CYS A 110 -12.511 -0.222 -18.752 1.00 61.33 H new ATOM 0 HA CYS A 110 -10.566 -0.221 -16.549 1.00 71.43 H new ATOM 0 HB2 CYS A 110 -9.710 1.703 -18.220 1.00 14.43 H new ATOM 0 HB3 CYS A 110 -9.312 0.011 -18.438 1.00 14.43 H new ATOM 1723 N GLU A 111 -10.911 2.156 -15.698 1.00 70.41 N ATOM 1724 CA GLU A 111 -11.328 3.365 -14.997 1.00 62.53 C ATOM 1725 C GLU A 111 -10.178 3.940 -14.175 1.00 14.30 C ATOM 1726 O GLU A 111 -9.087 3.374 -14.132 1.00 11.03 O ATOM 1727 CB GLU A 111 -12.522 3.067 -14.087 1.00 45.44 C ATOM 1728 CG GLU A 111 -13.353 4.295 -13.754 1.00 20.30 C ATOM 1729 CD GLU A 111 -14.803 3.956 -13.465 1.00 44.41 C ATOM 1730 OE1 GLU A 111 -15.048 2.964 -12.748 1.00 60.52 O ATOM 1731 OE2 GLU A 111 -15.691 4.684 -13.956 1.00 33.53 O ATOM 0 H GLU A 111 -10.015 1.778 -15.391 1.00 70.41 H new ATOM 0 HA GLU A 111 -11.624 4.104 -15.742 1.00 62.53 H new ATOM 0 HB2 GLU A 111 -13.160 2.326 -14.569 1.00 45.44 H new ATOM 0 HB3 GLU A 111 -12.160 2.621 -13.161 1.00 45.44 H new ATOM 0 HG2 GLU A 111 -12.922 4.798 -12.888 1.00 20.30 H new ATOM 0 HG3 GLU A 111 -13.307 4.997 -14.586 1.00 20.30 H new ATOM 1738 N GLY A 112 -10.433 5.071 -13.524 1.00 2.33 N ATOM 1739 CA GLY A 112 -9.411 5.706 -12.712 1.00 43.03 C ATOM 1740 C GLY A 112 -8.479 6.577 -13.531 1.00 4.22 C ATOM 1741 O GLY A 112 -8.888 7.167 -14.531 1.00 3.23 O ATOM 0 H GLY A 112 -11.329 5.559 -13.544 1.00 2.33 H new ATOM 0 HA2 GLY A 112 -9.888 6.313 -11.942 1.00 43.03 H new ATOM 0 HA3 GLY A 112 -8.830 4.939 -12.199 1.00 43.03 H new ATOM 1745 N SER A 113 -7.222 6.660 -13.105 1.00 71.22 N ATOM 1746 CA SER A 113 -6.230 7.470 -13.803 1.00 15.02 C ATOM 1747 C SER A 113 -4.821 6.949 -13.540 1.00 61.43 C ATOM 1748 O SER A 113 -4.372 6.847 -12.399 1.00 4.05 O ATOM 1749 CB SER A 113 -6.336 8.932 -13.364 1.00 65.02 C ATOM 1750 OG SER A 113 -6.005 9.808 -14.428 1.00 3.45 O ATOM 0 H SER A 113 -6.867 6.176 -12.280 1.00 71.22 H new ATOM 0 HA SER A 113 -6.429 7.403 -14.873 1.00 15.02 H new ATOM 0 HB2 SER A 113 -7.349 9.139 -13.020 1.00 65.02 H new ATOM 0 HB3 SER A 113 -5.670 9.111 -12.520 1.00 65.02 H new ATOM 0 HG SER A 113 -6.082 10.736 -14.123 1.00 3.45 H new ATOM 1756 N PRO A 114 -4.105 6.609 -14.623 1.00 13.42 N ATOM 1757 CA PRO A 114 -4.630 6.725 -15.987 1.00 1.43 C ATOM 1758 C PRO A 114 -5.729 5.708 -16.274 1.00 0.14 C ATOM 1759 O PRO A 114 -6.028 4.852 -15.441 1.00 72.21 O ATOM 1760 CB PRO A 114 -3.405 6.450 -16.863 1.00 1.55 C ATOM 1761 CG PRO A 114 -2.509 5.618 -16.011 1.00 15.41 C ATOM 1762 CD PRO A 114 -2.729 6.086 -14.599 1.00 31.03 C ATOM 0 HA PRO A 114 -5.089 7.697 -16.165 1.00 1.43 H new ATOM 0 HB2 PRO A 114 -3.682 5.925 -17.777 1.00 1.55 H new ATOM 0 HB3 PRO A 114 -2.917 7.377 -17.163 1.00 1.55 H new ATOM 0 HG2 PRO A 114 -2.746 4.559 -16.113 1.00 15.41 H new ATOM 0 HG3 PRO A 114 -1.467 5.741 -16.305 1.00 15.41 H new ATOM 0 HD2 PRO A 114 -2.622 5.270 -13.884 1.00 31.03 H new ATOM 0 HD3 PRO A 114 -2.012 6.856 -14.314 1.00 31.03 H new ATOM 1770 N TYR A 115 -6.326 5.807 -17.456 1.00 14.32 N ATOM 1771 CA TYR A 115 -7.394 4.897 -17.851 1.00 71.44 C ATOM 1772 C TYR A 115 -6.845 3.500 -18.126 1.00 61.02 C ATOM 1773 O TYR A 115 -6.265 3.245 -19.182 1.00 23.34 O ATOM 1774 CB TYR A 115 -8.112 5.428 -19.093 1.00 72.21 C ATOM 1775 CG TYR A 115 -9.587 5.681 -18.878 1.00 11.54 C ATOM 1776 CD1 TYR A 115 -10.064 6.122 -17.649 1.00 42.31 C ATOM 1777 CD2 TYR A 115 -10.504 5.479 -19.902 1.00 0.43 C ATOM 1778 CE1 TYR A 115 -11.411 6.355 -17.447 1.00 65.22 C ATOM 1779 CE2 TYR A 115 -11.852 5.711 -19.709 1.00 72.33 C ATOM 1780 CZ TYR A 115 -12.301 6.148 -18.480 1.00 44.04 C ATOM 1781 OH TYR A 115 -13.643 6.378 -18.284 1.00 51.23 O ATOM 0 H TYR A 115 -6.088 6.508 -18.157 1.00 14.32 H new ATOM 0 HA TYR A 115 -8.105 4.833 -17.028 1.00 71.44 H new ATOM 0 HB2 TYR A 115 -7.635 6.356 -19.409 1.00 72.21 H new ATOM 0 HB3 TYR A 115 -7.989 4.713 -19.907 1.00 72.21 H new ATOM 0 HD1 TYR A 115 -9.370 6.285 -16.838 1.00 42.31 H new ATOM 0 HD2 TYR A 115 -10.157 5.135 -20.865 1.00 0.43 H new ATOM 0 HE1 TYR A 115 -11.765 6.697 -16.486 1.00 65.22 H new ATOM 0 HE2 TYR A 115 -12.551 5.551 -20.516 1.00 72.33 H new ATOM 0 HH TYR A 115 -14.164 5.701 -18.764 1.00 51.23 H new ATOM 1791 N VAL A 116 -7.033 2.598 -17.168 1.00 52.10 N ATOM 1792 CA VAL A 116 -6.559 1.226 -17.306 1.00 13.13 C ATOM 1793 C VAL A 116 -7.637 0.229 -16.897 1.00 33.32 C ATOM 1794 O VAL A 116 -8.534 0.534 -16.110 1.00 22.51 O ATOM 1795 CB VAL A 116 -5.299 0.980 -16.456 1.00 24.12 C ATOM 1796 CG1 VAL A 116 -4.413 2.217 -16.443 1.00 32.33 C ATOM 1797 CG2 VAL A 116 -5.681 0.573 -15.041 1.00 15.22 C ATOM 0 H VAL A 116 -7.510 2.793 -16.288 1.00 52.10 H new ATOM 0 HA VAL A 116 -6.313 1.080 -18.358 1.00 13.13 H new ATOM 0 HB VAL A 116 -4.734 0.163 -16.904 1.00 24.12 H new ATOM 0 HG11 VAL A 116 -3.528 2.024 -15.837 1.00 32.33 H new ATOM 0 HG12 VAL A 116 -4.110 2.458 -17.462 1.00 32.33 H new ATOM 0 HG13 VAL A 116 -4.966 3.056 -16.020 1.00 32.33 H new ATOM 0 HG21 VAL A 116 -4.778 0.403 -14.455 1.00 15.22 H new ATOM 0 HG22 VAL A 116 -6.269 1.367 -14.580 1.00 15.22 H new ATOM 0 HG23 VAL A 116 -6.271 -0.343 -15.073 1.00 15.22 H new ATOM 1807 N PRO A 117 -7.550 -0.993 -17.442 1.00 71.55 N ATOM 1808 CA PRO A 117 -8.510 -2.062 -17.148 1.00 44.03 C ATOM 1809 C PRO A 117 -8.378 -2.583 -15.721 1.00 41.31 C ATOM 1810 O PRO A 117 -7.350 -3.148 -15.348 1.00 44.41 O ATOM 1811 CB PRO A 117 -8.141 -3.156 -18.153 1.00 22.40 C ATOM 1812 CG PRO A 117 -6.704 -2.915 -18.465 1.00 73.43 C ATOM 1813 CD PRO A 117 -6.508 -1.427 -18.388 1.00 41.53 C ATOM 0 HA PRO A 117 -9.541 -1.718 -17.231 1.00 44.03 H new ATOM 0 HB2 PRO A 117 -8.293 -4.149 -17.731 1.00 22.40 H new ATOM 0 HB3 PRO A 117 -8.757 -3.093 -19.050 1.00 22.40 H new ATOM 0 HG2 PRO A 117 -6.058 -3.431 -17.754 1.00 73.43 H new ATOM 0 HG3 PRO A 117 -6.451 -3.291 -19.456 1.00 73.43 H new ATOM 0 HD2 PRO A 117 -5.510 -1.171 -18.032 1.00 41.53 H new ATOM 0 HD3 PRO A 117 -6.629 -0.955 -19.363 1.00 41.53 H new ATOM 1821 N VAL A 118 -9.426 -2.389 -14.926 1.00 63.34 N ATOM 1822 CA VAL A 118 -9.427 -2.841 -13.540 1.00 75.11 C ATOM 1823 C VAL A 118 -10.438 -3.963 -13.329 1.00 65.42 C ATOM 1824 O VAL A 118 -10.770 -4.309 -12.195 1.00 23.31 O ATOM 1825 CB VAL A 118 -9.751 -1.686 -12.574 1.00 23.12 C ATOM 1826 CG1 VAL A 118 -8.674 -0.614 -12.644 1.00 54.44 C ATOM 1827 CG2 VAL A 118 -11.120 -1.100 -12.884 1.00 20.24 C ATOM 0 H VAL A 118 -10.284 -1.922 -15.218 1.00 63.34 H new ATOM 0 HA VAL A 118 -8.425 -3.213 -13.327 1.00 75.11 H new ATOM 0 HB VAL A 118 -9.772 -2.080 -11.558 1.00 23.12 H new ATOM 0 HG11 VAL A 118 -8.920 0.194 -11.955 1.00 54.44 H new ATOM 0 HG12 VAL A 118 -7.712 -1.046 -12.368 1.00 54.44 H new ATOM 0 HG13 VAL A 118 -8.618 -0.221 -13.659 1.00 54.44 H new ATOM 0 HG21 VAL A 118 -11.332 -0.285 -12.192 1.00 20.24 H new ATOM 0 HG22 VAL A 118 -11.130 -0.720 -13.906 1.00 20.24 H new ATOM 0 HG23 VAL A 118 -11.880 -1.874 -12.777 1.00 20.24 H new ATOM 1837 N HIS A 119 -10.923 -4.530 -14.429 1.00 40.25 N ATOM 1838 CA HIS A 119 -11.895 -5.615 -14.365 1.00 73.14 C ATOM 1839 C HIS A 119 -12.069 -6.271 -15.732 1.00 42.41 C ATOM 1840 O HIS A 119 -11.878 -5.632 -16.767 1.00 52.51 O ATOM 1841 CB HIS A 119 -13.242 -5.093 -13.863 1.00 24.04 C ATOM 1842 CG HIS A 119 -14.419 -5.719 -14.545 1.00 11.44 C ATOM 1843 ND1 HIS A 119 -15.430 -6.361 -13.862 1.00 34.10 N ATOM 1844 CD2 HIS A 119 -14.744 -5.796 -15.856 1.00 74.12 C ATOM 1845 CE1 HIS A 119 -16.326 -6.808 -14.724 1.00 63.32 C ATOM 1846 NE2 HIS A 119 -15.933 -6.478 -15.941 1.00 72.14 N ATOM 0 H HIS A 119 -10.659 -4.256 -15.375 1.00 40.25 H new ATOM 0 HA HIS A 119 -11.520 -6.364 -13.667 1.00 73.14 H new ATOM 0 HB2 HIS A 119 -13.316 -5.274 -12.791 1.00 24.04 H new ATOM 0 HB3 HIS A 119 -13.281 -4.013 -14.008 1.00 24.04 H new ATOM 0 HD2 HIS A 119 -14.175 -5.396 -16.682 1.00 74.12 H new ATOM 0 HE1 HIS A 119 -17.226 -7.351 -14.476 1.00 63.32 H new ATOM 0 HE2 HIS A 119 -16.432 -6.695 -16.804 1.00 72.14 H new ATOM 1854 N PHE A 120 -12.431 -7.549 -15.728 1.00 64.31 N ATOM 1855 CA PHE A 120 -12.628 -8.292 -16.968 1.00 0.24 C ATOM 1856 C PHE A 120 -14.094 -8.677 -17.143 1.00 61.03 C ATOM 1857 O PHE A 120 -14.747 -9.123 -16.200 1.00 20.51 O ATOM 1858 CB PHE A 120 -11.754 -9.548 -16.979 1.00 50.32 C ATOM 1859 CG PHE A 120 -11.234 -9.904 -18.343 1.00 10.43 C ATOM 1860 CD1 PHE A 120 -12.051 -10.534 -19.267 1.00 52.45 C ATOM 1861 CD2 PHE A 120 -9.928 -9.608 -18.700 1.00 15.43 C ATOM 1862 CE1 PHE A 120 -11.575 -10.863 -20.522 1.00 42.24 C ATOM 1863 CE2 PHE A 120 -9.447 -9.934 -19.953 1.00 64.05 C ATOM 1864 CZ PHE A 120 -10.271 -10.562 -20.866 1.00 54.43 C ATOM 0 H PHE A 120 -12.594 -8.092 -14.880 1.00 64.31 H new ATOM 0 HA PHE A 120 -12.338 -7.649 -17.799 1.00 0.24 H new ATOM 0 HB2 PHE A 120 -10.911 -9.400 -16.304 1.00 50.32 H new ATOM 0 HB3 PHE A 120 -12.331 -10.386 -16.589 1.00 50.32 H new ATOM 0 HD1 PHE A 120 -13.071 -10.771 -19.004 1.00 52.45 H new ATOM 0 HD2 PHE A 120 -9.279 -9.117 -17.990 1.00 15.43 H new ATOM 0 HE1 PHE A 120 -12.222 -11.355 -21.233 1.00 42.24 H new ATOM 0 HE2 PHE A 120 -8.427 -9.698 -20.219 1.00 64.05 H new ATOM 0 HZ PHE A 120 -9.897 -10.817 -21.847 1.00 54.43 H new ATOM 1874 N ASP A 121 -14.604 -8.500 -18.357 1.00 33.30 N ATOM 1875 CA ASP A 121 -15.993 -8.829 -18.658 1.00 23.51 C ATOM 1876 C ASP A 121 -16.096 -10.204 -19.311 1.00 61.14 C ATOM 1877 O ASP A 121 -16.533 -11.169 -18.685 1.00 11.21 O ATOM 1878 CB ASP A 121 -16.604 -7.768 -19.574 1.00 63.23 C ATOM 1879 CG ASP A 121 -18.058 -7.489 -19.248 1.00 5.12 C ATOM 1880 OD1 ASP A 121 -18.318 -6.803 -18.237 1.00 42.52 O ATOM 1881 OD2 ASP A 121 -18.935 -7.956 -20.003 1.00 51.13 O ATOM 0 H ASP A 121 -14.077 -8.131 -19.148 1.00 33.30 H new ATOM 0 HA ASP A 121 -16.547 -8.850 -17.720 1.00 23.51 H new ATOM 0 HB2 ASP A 121 -16.032 -6.844 -19.487 1.00 63.23 H new ATOM 0 HB3 ASP A 121 -16.524 -8.097 -20.610 1.00 63.23 H new ATOM 1886 N ALA A 122 -15.691 -10.285 -20.575 1.00 15.22 N ATOM 1887 CA ALA A 122 -15.737 -11.541 -21.313 1.00 15.02 C ATOM 1888 C ALA A 122 -15.033 -11.413 -22.659 1.00 42.10 C ATOM 1889 O ALA A 122 -14.882 -10.312 -23.189 1.00 62.32 O ATOM 1890 CB ALA A 122 -17.179 -11.985 -21.510 1.00 14.22 C ATOM 0 H ALA A 122 -15.328 -9.495 -21.109 1.00 15.22 H new ATOM 0 HA ALA A 122 -15.212 -12.296 -20.728 1.00 15.02 H new ATOM 0 HB1 ALA A 122 -17.198 -12.924 -22.063 1.00 14.22 H new ATOM 0 HB2 ALA A 122 -17.652 -12.126 -20.538 1.00 14.22 H new ATOM 0 HB3 ALA A 122 -17.721 -11.223 -22.070 1.00 14.22 H new ATOM 1896 N SER A 123 -14.603 -12.545 -23.207 1.00 25.13 N ATOM 1897 CA SER A 123 -13.909 -12.559 -24.489 1.00 52.55 C ATOM 1898 C SER A 123 -14.905 -12.579 -25.645 1.00 72.20 C ATOM 1899 O SER A 123 -15.840 -13.381 -25.660 1.00 44.43 O ATOM 1900 CB SER A 123 -12.982 -13.772 -24.579 1.00 44.20 C ATOM 1901 OG SER A 123 -13.629 -14.944 -24.117 1.00 33.34 O ATOM 0 H SER A 123 -14.723 -13.465 -22.783 1.00 25.13 H new ATOM 0 HA SER A 123 -13.312 -11.650 -24.561 1.00 52.55 H new ATOM 0 HB2 SER A 123 -12.662 -13.913 -25.611 1.00 44.20 H new ATOM 0 HB3 SER A 123 -12.084 -13.592 -23.988 1.00 44.20 H new ATOM 0 HG SER A 123 -13.016 -15.705 -24.187 1.00 33.34 H new ATOM 1907 N VAL A 124 -14.698 -11.691 -26.612 1.00 72.23 N ATOM 1908 CA VAL A 124 -15.576 -11.607 -27.773 1.00 51.23 C ATOM 1909 C VAL A 124 -14.968 -12.322 -28.975 1.00 14.40 C ATOM 1910 O VAL A 124 -13.857 -12.845 -28.901 1.00 51.41 O ATOM 1911 CB VAL A 124 -15.865 -10.142 -28.153 1.00 72.42 C ATOM 1912 CG1 VAL A 124 -17.321 -9.797 -27.878 1.00 43.43 C ATOM 1913 CG2 VAL A 124 -14.934 -9.204 -27.401 1.00 13.43 C ATOM 0 H VAL A 124 -13.930 -11.020 -26.614 1.00 72.23 H new ATOM 0 HA VAL A 124 -16.511 -12.095 -27.499 1.00 51.23 H new ATOM 0 HB VAL A 124 -15.683 -10.018 -29.221 1.00 72.42 H new ATOM 0 HG11 VAL A 124 -17.507 -8.759 -28.152 1.00 43.43 H new ATOM 0 HG12 VAL A 124 -17.967 -10.449 -28.466 1.00 43.43 H new ATOM 0 HG13 VAL A 124 -17.534 -9.936 -26.818 1.00 43.43 H new ATOM 0 HG21 VAL A 124 -15.152 -8.173 -27.681 1.00 13.43 H new ATOM 0 HG22 VAL A 124 -15.082 -9.327 -26.328 1.00 13.43 H new ATOM 0 HG23 VAL A 124 -13.900 -9.438 -27.654 1.00 13.43 H new ATOM 1923 N GLU A 125 -15.705 -12.339 -30.081 1.00 75.32 N ATOM 1924 CA GLU A 125 -15.238 -12.991 -31.299 1.00 53.32 C ATOM 1925 C GLU A 125 -14.747 -11.961 -32.313 1.00 33.11 C ATOM 1926 O GLU A 125 -13.823 -12.224 -33.083 1.00 11.24 O ATOM 1927 CB GLU A 125 -16.357 -13.835 -31.914 1.00 1.40 C ATOM 1928 CG GLU A 125 -16.428 -15.247 -31.359 1.00 74.43 C ATOM 1929 CD GLU A 125 -17.821 -15.620 -30.890 1.00 33.10 C ATOM 1930 OE1 GLU A 125 -18.444 -14.806 -30.176 1.00 43.11 O ATOM 1931 OE2 GLU A 125 -18.289 -16.725 -31.236 1.00 22.02 O ATOM 0 H GLU A 125 -16.627 -11.909 -30.159 1.00 75.32 H new ATOM 0 HA GLU A 125 -14.405 -13.642 -31.035 1.00 53.32 H new ATOM 0 HB2 GLU A 125 -17.312 -13.338 -31.743 1.00 1.40 H new ATOM 0 HB3 GLU A 125 -16.212 -13.884 -32.993 1.00 1.40 H new ATOM 0 HG2 GLU A 125 -16.106 -15.951 -32.126 1.00 74.43 H new ATOM 0 HG3 GLU A 125 -15.731 -15.342 -30.526 1.00 74.43 H new