USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 1 MET N :NH3+ -121:sc= -0.558 (180deg=-5.15!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.979 USER MOD Set 2.1: A 1 MET CE :methyl -155:sc= -0.146 (180deg=-0.785) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -153:sc=-0.00302 (180deg=-1.02) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -69:sc= 0.752 USER MOD Single : A 17 SER OG : rot -65:sc= 0.674 USER MOD Single : A 19 THR OG1 : rot -149:sc= 0.0197 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0956 F(o=-0.66,f=-0.096) USER MOD Single : A 23 THR OG1 : rot 167:sc= 1.14 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 130:sc= -0.663 USER MOD Single : A 47 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -163:sc= -0.0573 (180deg=-0.431) USER MOD Single : A 67 THR OG1 : rot 54:sc= 0.215 USER MOD Single : A 69 HIS : no HE2:sc= -4.27! C(o=-4.3!,f=-5.5!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.395 0.168 -0.175 1.00 24.01 N ATOM 2 CA MET A 1 2.172 0.124 -1.409 1.00 33.43 C ATOM 3 C MET A 1 1.535 -0.827 -2.417 1.00 65.54 C ATOM 4 O MET A 1 1.068 -0.404 -3.476 1.00 23.53 O ATOM 5 CB MET A 1 3.609 -0.311 -1.117 1.00 2.03 C ATOM 6 CG MET A 1 4.595 0.080 -2.205 1.00 44.42 C ATOM 7 SD MET A 1 6.311 -0.158 -1.706 1.00 65.31 S ATOM 8 CE MET A 1 6.454 1.053 -0.394 1.00 60.31 C ATOM 0 H1 MET A 1 1.082 1.144 0.003 1.00 24.01 H new ATOM 0 H2 MET A 1 0.564 -0.451 -0.265 1.00 24.01 H new ATOM 0 H3 MET A 1 1.984 -0.157 0.618 1.00 24.01 H new ATOM 0 HA MET A 1 2.184 1.126 -1.838 1.00 33.43 H new ATOM 0 HB2 MET A 1 3.929 0.130 -0.173 1.00 2.03 H new ATOM 0 HB3 MET A 1 3.633 -1.393 -0.988 1.00 2.03 H new ATOM 0 HG2 MET A 1 4.396 -0.510 -3.100 1.00 44.42 H new ATOM 0 HG3 MET A 1 4.440 1.125 -2.472 1.00 44.42 H new ATOM 0 HE1 MET A 1 7.497 1.351 -0.286 1.00 60.31 H new ATOM 0 HE2 MET A 1 5.850 1.927 -0.638 1.00 60.31 H new ATOM 0 HE3 MET A 1 6.102 0.619 0.542 1.00 60.31 H new ATOM 18 N LEU A 2 1.521 -2.113 -2.084 1.00 32.24 N ATOM 19 CA LEU A 2 0.942 -3.125 -2.961 1.00 11.22 C ATOM 20 C LEU A 2 -0.392 -3.622 -2.413 1.00 12.40 C ATOM 21 O LEU A 2 -0.478 -4.070 -1.269 1.00 4.12 O ATOM 22 CB LEU A 2 1.908 -4.299 -3.125 1.00 20.43 C ATOM 23 CG LEU A 2 1.373 -5.506 -3.897 1.00 42.44 C ATOM 24 CD1 LEU A 2 2.468 -6.116 -4.759 1.00 10.12 C ATOM 25 CD2 LEU A 2 0.805 -6.543 -2.940 1.00 52.00 C ATOM 0 H LEU A 2 1.904 -2.480 -1.213 1.00 32.24 H new ATOM 0 HA LEU A 2 0.766 -2.668 -3.935 1.00 11.22 H new ATOM 0 HB2 LEU A 2 2.804 -3.938 -3.630 1.00 20.43 H new ATOM 0 HB3 LEU A 2 2.213 -4.633 -2.134 1.00 20.43 H new ATOM 0 HG LEU A 2 0.570 -5.167 -4.551 1.00 42.44 H new ATOM 0 HD11 LEU A 2 2.069 -6.974 -5.301 1.00 10.12 H new ATOM 0 HD12 LEU A 2 2.828 -5.373 -5.470 1.00 10.12 H new ATOM 0 HD13 LEU A 2 3.293 -6.440 -4.124 1.00 10.12 H new ATOM 0 HD21 LEU A 2 0.429 -7.394 -3.507 1.00 52.00 H new ATOM 0 HD22 LEU A 2 1.588 -6.878 -2.260 1.00 52.00 H new ATOM 0 HD23 LEU A 2 -0.010 -6.101 -2.366 1.00 52.00 H new ATOM 37 N LEU A 3 -1.431 -3.541 -3.237 1.00 60.10 N ATOM 38 CA LEU A 3 -2.762 -3.985 -2.836 1.00 43.33 C ATOM 39 C LEU A 3 -3.455 -4.725 -3.976 1.00 10.32 C ATOM 40 O LEU A 3 -3.237 -4.424 -5.150 1.00 13.24 O ATOM 41 CB LEU A 3 -3.609 -2.789 -2.399 1.00 54.22 C ATOM 42 CG LEU A 3 -4.227 -1.957 -3.524 1.00 3.22 C ATOM 43 CD1 LEU A 3 -5.186 -0.922 -2.957 1.00 74.13 C ATOM 44 CD2 LEU A 3 -3.139 -1.283 -4.348 1.00 20.42 C ATOM 0 H LEU A 3 -1.378 -3.172 -4.187 1.00 60.10 H new ATOM 0 HA LEU A 3 -2.652 -4.671 -1.996 1.00 43.33 H new ATOM 0 HB2 LEU A 3 -4.413 -3.153 -1.760 1.00 54.22 H new ATOM 0 HB3 LEU A 3 -2.988 -2.133 -1.788 1.00 54.22 H new ATOM 0 HG LEU A 3 -4.789 -2.624 -4.177 1.00 3.22 H new ATOM 0 HD11 LEU A 3 -5.616 -0.340 -3.772 1.00 74.13 H new ATOM 0 HD12 LEU A 3 -5.984 -1.426 -2.411 1.00 74.13 H new ATOM 0 HD13 LEU A 3 -4.647 -0.258 -2.281 1.00 74.13 H new ATOM 0 HD21 LEU A 3 -3.597 -0.695 -5.144 1.00 20.42 H new ATOM 0 HD22 LEU A 3 -2.550 -0.628 -3.706 1.00 20.42 H new ATOM 0 HD23 LEU A 3 -2.490 -2.042 -4.785 1.00 20.42 H new ATOM 56 N LYS A 4 -4.293 -5.693 -3.622 1.00 20.31 N ATOM 57 CA LYS A 4 -5.022 -6.475 -4.613 1.00 52.05 C ATOM 58 C LYS A 4 -6.520 -6.202 -4.527 1.00 34.11 C ATOM 59 O LYS A 4 -7.171 -6.562 -3.546 1.00 14.00 O ATOM 60 CB LYS A 4 -4.753 -7.968 -4.415 1.00 24.24 C ATOM 61 CG LYS A 4 -5.689 -8.866 -5.205 1.00 44.24 C ATOM 62 CD LYS A 4 -6.725 -9.520 -4.307 1.00 53.43 C ATOM 63 CE LYS A 4 -6.271 -10.894 -3.841 1.00 73.40 C ATOM 64 NZ LYS A 4 -6.897 -11.985 -4.638 1.00 72.24 N ATOM 0 H LYS A 4 -4.484 -5.955 -2.655 1.00 20.31 H new ATOM 0 HA LYS A 4 -4.672 -6.178 -5.602 1.00 52.05 H new ATOM 0 HB2 LYS A 4 -3.725 -8.185 -4.705 1.00 24.24 H new ATOM 0 HB3 LYS A 4 -4.842 -8.207 -3.355 1.00 24.24 H new ATOM 0 HG2 LYS A 4 -6.191 -8.281 -5.975 1.00 44.24 H new ATOM 0 HG3 LYS A 4 -5.111 -9.636 -5.716 1.00 44.24 H new ATOM 0 HD2 LYS A 4 -6.911 -8.884 -3.441 1.00 53.43 H new ATOM 0 HD3 LYS A 4 -7.669 -9.611 -4.845 1.00 53.43 H new ATOM 0 HE2 LYS A 4 -5.186 -10.964 -3.919 1.00 73.40 H new ATOM 0 HE3 LYS A 4 -6.524 -11.022 -2.788 1.00 73.40 H new ATOM 0 HZ1 LYS A 4 -6.954 -12.848 -4.060 1.00 72.24 H new ATOM 0 HZ2 LYS A 4 -7.854 -11.698 -4.928 1.00 72.24 H new ATOM 0 HZ3 LYS A 4 -6.321 -12.172 -5.483 1.00 72.24 H new ATOM 78 N VAL A 5 -7.062 -5.565 -5.560 1.00 51.02 N ATOM 79 CA VAL A 5 -8.484 -5.246 -5.602 1.00 32.43 C ATOM 80 C VAL A 5 -9.220 -6.144 -6.590 1.00 42.15 C ATOM 81 O VAL A 5 -8.817 -6.275 -7.746 1.00 44.24 O ATOM 82 CB VAL A 5 -8.719 -3.774 -5.989 1.00 64.21 C ATOM 83 CG1 VAL A 5 -8.114 -2.845 -4.947 1.00 71.14 C ATOM 84 CG2 VAL A 5 -8.143 -3.489 -7.368 1.00 54.41 C ATOM 0 H VAL A 5 -6.537 -5.259 -6.380 1.00 51.02 H new ATOM 0 HA VAL A 5 -8.876 -5.416 -4.599 1.00 32.43 H new ATOM 0 HB VAL A 5 -9.793 -3.591 -6.023 1.00 64.21 H new ATOM 0 HG11 VAL A 5 -8.290 -1.809 -5.237 1.00 71.14 H new ATOM 0 HG12 VAL A 5 -8.577 -3.034 -3.978 1.00 71.14 H new ATOM 0 HG13 VAL A 5 -7.041 -3.025 -4.878 1.00 71.14 H new ATOM 0 HG21 VAL A 5 -8.317 -2.445 -7.626 1.00 54.41 H new ATOM 0 HG22 VAL A 5 -7.071 -3.687 -7.363 1.00 54.41 H new ATOM 0 HG23 VAL A 5 -8.627 -4.131 -8.104 1.00 54.41 H new ATOM 94 N LYS A 6 -10.302 -6.761 -6.129 1.00 13.12 N ATOM 95 CA LYS A 6 -11.097 -7.646 -6.972 1.00 53.30 C ATOM 96 C LYS A 6 -12.580 -7.299 -6.878 1.00 62.54 C ATOM 97 O LYS A 6 -13.144 -7.228 -5.786 1.00 40.50 O ATOM 98 CB LYS A 6 -10.877 -9.105 -6.566 1.00 42.31 C ATOM 99 CG LYS A 6 -11.243 -9.396 -5.121 1.00 44.00 C ATOM 100 CD LYS A 6 -10.563 -10.658 -4.617 1.00 62.12 C ATOM 101 CE LYS A 6 -11.576 -11.671 -4.107 1.00 71.45 C ATOM 102 NZ LYS A 6 -10.985 -12.581 -3.087 1.00 75.43 N ATOM 0 H LYS A 6 -10.649 -6.664 -5.175 1.00 13.12 H new ATOM 0 HA LYS A 6 -10.774 -7.510 -8.004 1.00 53.30 H new ATOM 0 HB2 LYS A 6 -11.468 -9.748 -7.218 1.00 42.31 H new ATOM 0 HB3 LYS A 6 -9.830 -9.364 -6.726 1.00 42.31 H new ATOM 0 HG2 LYS A 6 -10.955 -8.552 -4.495 1.00 44.00 H new ATOM 0 HG3 LYS A 6 -12.324 -9.504 -5.033 1.00 44.00 H new ATOM 0 HD2 LYS A 6 -9.976 -11.102 -5.421 1.00 62.12 H new ATOM 0 HD3 LYS A 6 -9.867 -10.403 -3.817 1.00 62.12 H new ATOM 0 HE2 LYS A 6 -12.428 -11.146 -3.675 1.00 71.45 H new ATOM 0 HE3 LYS A 6 -11.954 -12.259 -4.943 1.00 71.45 H new ATOM 0 HZ1 LYS A 6 -11.707 -13.256 -2.764 1.00 75.43 H new ATOM 0 HZ2 LYS A 6 -10.187 -13.101 -3.506 1.00 75.43 H new ATOM 0 HZ3 LYS A 6 -10.647 -12.022 -2.277 1.00 75.43 H new ATOM 116 N THR A 7 -13.207 -7.087 -8.031 1.00 53.11 N ATOM 117 CA THR A 7 -14.624 -6.749 -8.079 1.00 11.31 C ATOM 118 C THR A 7 -15.485 -8.002 -8.190 1.00 11.22 C ATOM 119 O THR A 7 -14.970 -9.109 -8.348 1.00 14.12 O ATOM 120 CB THR A 7 -14.939 -5.817 -9.264 1.00 15.50 C ATOM 121 OG1 THR A 7 -16.306 -5.393 -9.204 1.00 31.10 O ATOM 122 CG2 THR A 7 -14.678 -6.518 -10.588 1.00 52.34 C ATOM 0 H THR A 7 -12.756 -7.143 -8.944 1.00 53.11 H new ATOM 0 HA THR A 7 -14.857 -6.233 -7.148 1.00 11.31 H new ATOM 0 HB THR A 7 -14.286 -4.947 -9.197 1.00 15.50 H new ATOM 0 HG1 THR A 7 -16.498 -4.799 -9.960 1.00 31.10 H new ATOM 0 HG21 THR A 7 -14.908 -5.840 -11.410 1.00 52.34 H new ATOM 0 HG22 THR A 7 -13.630 -6.813 -10.643 1.00 52.34 H new ATOM 0 HG23 THR A 7 -15.309 -7.404 -10.661 1.00 52.34 H new ATOM 130 N VAL A 8 -16.799 -7.821 -8.107 1.00 13.45 N ATOM 131 CA VAL A 8 -17.732 -8.937 -8.199 1.00 74.14 C ATOM 132 C VAL A 8 -17.647 -9.613 -9.563 1.00 40.44 C ATOM 133 O VAL A 8 -18.134 -10.728 -9.747 1.00 31.13 O ATOM 134 CB VAL A 8 -19.182 -8.478 -7.956 1.00 35.42 C ATOM 135 CG1 VAL A 8 -19.665 -7.602 -9.102 1.00 32.43 C ATOM 136 CG2 VAL A 8 -20.097 -9.680 -7.771 1.00 2.05 C ATOM 0 H VAL A 8 -17.242 -6.911 -7.976 1.00 13.45 H new ATOM 0 HA VAL A 8 -17.450 -9.650 -7.424 1.00 74.14 H new ATOM 0 HB VAL A 8 -19.208 -7.885 -7.042 1.00 35.42 H new ATOM 0 HG11 VAL A 8 -20.691 -7.288 -8.912 1.00 32.43 H new ATOM 0 HG12 VAL A 8 -19.025 -6.723 -9.183 1.00 32.43 H new ATOM 0 HG13 VAL A 8 -19.625 -8.167 -10.033 1.00 32.43 H new ATOM 0 HG21 VAL A 8 -21.118 -9.337 -7.600 1.00 2.05 H new ATOM 0 HG22 VAL A 8 -20.068 -10.301 -8.666 1.00 2.05 H new ATOM 0 HG23 VAL A 8 -19.762 -10.264 -6.914 1.00 2.05 H new ATOM 146 N SER A 9 -17.024 -8.929 -10.518 1.00 70.22 N ATOM 147 CA SER A 9 -16.877 -9.462 -11.868 1.00 11.23 C ATOM 148 C SER A 9 -15.684 -10.409 -11.951 1.00 33.41 C ATOM 149 O SER A 9 -15.276 -10.816 -13.038 1.00 22.34 O ATOM 150 CB SER A 9 -16.708 -8.321 -12.873 1.00 60.22 C ATOM 151 OG SER A 9 -17.628 -8.444 -13.944 1.00 33.33 O ATOM 0 H SER A 9 -16.613 -8.005 -10.382 1.00 70.22 H new ATOM 0 HA SER A 9 -17.780 -10.021 -12.112 1.00 11.23 H new ATOM 0 HB2 SER A 9 -16.856 -7.365 -12.371 1.00 60.22 H new ATOM 0 HB3 SER A 9 -15.690 -8.323 -13.262 1.00 60.22 H new ATOM 0 HG SER A 9 -17.501 -7.702 -14.571 1.00 33.33 H new ATOM 157 N ASN A 10 -15.130 -10.756 -10.794 1.00 34.33 N ATOM 158 CA ASN A 10 -13.984 -11.656 -10.734 1.00 42.43 C ATOM 159 C ASN A 10 -12.757 -11.016 -11.378 1.00 20.05 C ATOM 160 O ASN A 10 -11.870 -11.710 -11.875 1.00 40.12 O ATOM 161 CB ASN A 10 -14.309 -12.977 -11.433 1.00 31.30 C ATOM 162 CG ASN A 10 -14.031 -14.180 -10.553 1.00 21.43 C ATOM 163 OD1 ASN A 10 -14.927 -14.976 -10.268 1.00 4.52 O ATOM 164 ND2 ASN A 10 -12.784 -14.319 -10.117 1.00 12.21 N ATOM 0 H ASN A 10 -15.456 -10.428 -9.885 1.00 34.33 H new ATOM 0 HA ASN A 10 -13.762 -11.853 -9.685 1.00 42.43 H new ATOM 0 HB2 ASN A 10 -15.358 -12.980 -11.728 1.00 31.30 H new ATOM 0 HB3 ASN A 10 -13.721 -13.055 -12.347 1.00 31.30 H new ATOM 0 HD21 ASN A 10 -12.537 -15.109 -9.521 1.00 12.21 H new ATOM 0 HD22 ASN A 10 -12.073 -13.635 -10.378 1.00 12.21 H new ATOM 171 N LYS A 11 -12.713 -9.688 -11.363 1.00 62.12 N ATOM 172 CA LYS A 11 -11.595 -8.953 -11.943 1.00 1.03 C ATOM 173 C LYS A 11 -10.603 -8.532 -10.863 1.00 64.14 C ATOM 174 O LYS A 11 -10.719 -7.451 -10.286 1.00 35.21 O ATOM 175 CB LYS A 11 -12.103 -7.719 -12.692 1.00 61.44 C ATOM 176 CG LYS A 11 -12.859 -8.051 -13.967 1.00 41.03 C ATOM 177 CD LYS A 11 -13.219 -6.796 -14.744 1.00 53.14 C ATOM 178 CE LYS A 11 -13.188 -7.041 -16.245 1.00 72.41 C ATOM 179 NZ LYS A 11 -11.902 -6.602 -16.853 1.00 4.35 N ATOM 0 H LYS A 11 -13.439 -9.099 -10.955 1.00 62.12 H new ATOM 0 HA LYS A 11 -11.084 -9.612 -12.645 1.00 1.03 H new ATOM 0 HB2 LYS A 11 -12.754 -7.146 -12.032 1.00 61.44 H new ATOM 0 HB3 LYS A 11 -11.256 -7.079 -12.938 1.00 61.44 H new ATOM 0 HG2 LYS A 11 -12.251 -8.705 -14.592 1.00 41.03 H new ATOM 0 HG3 LYS A 11 -13.767 -8.600 -13.720 1.00 41.03 H new ATOM 0 HD2 LYS A 11 -14.213 -6.457 -14.450 1.00 53.14 H new ATOM 0 HD3 LYS A 11 -12.522 -5.997 -14.490 1.00 53.14 H new ATOM 0 HE2 LYS A 11 -13.339 -8.102 -16.443 1.00 72.41 H new ATOM 0 HE3 LYS A 11 -14.013 -6.508 -16.717 1.00 72.41 H new ATOM 0 HZ1 LYS A 11 -11.921 -6.786 -17.876 1.00 4.35 H new ATOM 0 HZ2 LYS A 11 -11.769 -5.584 -16.687 1.00 4.35 H new ATOM 0 HZ3 LYS A 11 -11.116 -7.129 -16.421 1.00 4.35 H new ATOM 193 N VAL A 12 -9.625 -9.392 -10.597 1.00 21.43 N ATOM 194 CA VAL A 12 -8.610 -9.108 -9.589 1.00 35.43 C ATOM 195 C VAL A 12 -7.388 -8.444 -10.211 1.00 41.24 C ATOM 196 O VAL A 12 -6.860 -8.913 -11.220 1.00 72.01 O ATOM 197 CB VAL A 12 -8.168 -10.392 -8.860 1.00 54.43 C ATOM 198 CG1 VAL A 12 -7.310 -10.051 -7.652 1.00 11.13 C ATOM 199 CG2 VAL A 12 -9.380 -11.215 -8.449 1.00 41.42 C ATOM 0 H VAL A 12 -9.514 -10.291 -11.065 1.00 21.43 H new ATOM 0 HA VAL A 12 -9.062 -8.427 -8.868 1.00 35.43 H new ATOM 0 HB VAL A 12 -7.567 -10.990 -9.545 1.00 54.43 H new ATOM 0 HG11 VAL A 12 -7.007 -10.970 -7.150 1.00 11.13 H new ATOM 0 HG12 VAL A 12 -6.424 -9.506 -7.977 1.00 11.13 H new ATOM 0 HG13 VAL A 12 -7.883 -9.432 -6.962 1.00 11.13 H new ATOM 0 HG21 VAL A 12 -9.050 -12.118 -7.936 1.00 41.42 H new ATOM 0 HG22 VAL A 12 -10.009 -10.627 -7.781 1.00 41.42 H new ATOM 0 HG23 VAL A 12 -9.951 -11.490 -9.336 1.00 41.42 H new ATOM 209 N ILE A 13 -6.942 -7.349 -9.604 1.00 35.44 N ATOM 210 CA ILE A 13 -5.781 -6.621 -10.098 1.00 24.03 C ATOM 211 C ILE A 13 -4.774 -6.369 -8.980 1.00 41.24 C ATOM 212 O ILE A 13 -5.069 -5.667 -8.013 1.00 61.14 O ATOM 213 CB ILE A 13 -6.185 -5.273 -10.723 1.00 13.13 C ATOM 214 CG1 ILE A 13 -7.253 -5.485 -11.798 1.00 42.43 C ATOM 215 CG2 ILE A 13 -4.968 -4.573 -11.308 1.00 25.52 C ATOM 216 CD1 ILE A 13 -6.804 -6.388 -12.926 1.00 2.43 C ATOM 0 H ILE A 13 -7.368 -6.947 -8.769 1.00 35.44 H new ATOM 0 HA ILE A 13 -5.321 -7.244 -10.865 1.00 24.03 H new ATOM 0 HB ILE A 13 -6.603 -4.638 -9.942 1.00 13.13 H new ATOM 0 HG12 ILE A 13 -8.143 -5.911 -11.335 1.00 42.43 H new ATOM 0 HG13 ILE A 13 -7.539 -4.517 -12.210 1.00 42.43 H new ATOM 0 HG21 ILE A 13 -5.271 -3.622 -11.746 1.00 25.52 H new ATOM 0 HG22 ILE A 13 -4.238 -4.393 -10.519 1.00 25.52 H new ATOM 0 HG23 ILE A 13 -4.522 -5.202 -12.079 1.00 25.52 H new ATOM 0 HD11 ILE A 13 -7.611 -6.493 -13.651 1.00 2.43 H new ATOM 0 HD12 ILE A 13 -5.932 -5.954 -13.415 1.00 2.43 H new ATOM 0 HD13 ILE A 13 -6.545 -7.368 -12.526 1.00 2.43 H new ATOM 228 N GLN A 14 -3.584 -6.944 -9.122 1.00 74.51 N ATOM 229 CA GLN A 14 -2.533 -6.781 -8.125 1.00 14.23 C ATOM 230 C GLN A 14 -1.480 -5.787 -8.602 1.00 64.24 C ATOM 231 O GLN A 14 -0.738 -6.060 -9.547 1.00 74.31 O ATOM 232 CB GLN A 14 -1.879 -8.129 -7.817 1.00 45.52 C ATOM 233 CG GLN A 14 -1.397 -8.868 -9.055 1.00 51.43 C ATOM 234 CD GLN A 14 -2.109 -10.190 -9.259 1.00 73.23 C ATOM 235 OE1 GLN A 14 -1.962 -11.117 -8.462 1.00 61.23 O ATOM 236 NE2 GLN A 14 -2.888 -10.285 -10.331 1.00 4.30 N ATOM 0 H GLN A 14 -3.324 -7.527 -9.918 1.00 74.51 H new ATOM 0 HA GLN A 14 -2.988 -6.391 -7.215 1.00 14.23 H new ATOM 0 HB2 GLN A 14 -1.034 -7.969 -7.147 1.00 45.52 H new ATOM 0 HB3 GLN A 14 -2.593 -8.757 -7.284 1.00 45.52 H new ATOM 0 HG2 GLN A 14 -1.549 -8.238 -9.932 1.00 51.43 H new ATOM 0 HG3 GLN A 14 -0.325 -9.046 -8.973 1.00 51.43 H new ATOM 0 HE21 GLN A 14 -2.981 -9.492 -10.966 1.00 4.30 H new ATOM 0 HE22 GLN A 14 -3.393 -11.151 -10.519 1.00 4.30 H new ATOM 245 N ILE A 15 -1.419 -4.634 -7.944 1.00 71.54 N ATOM 246 CA ILE A 15 -0.455 -3.601 -8.302 1.00 14.01 C ATOM 247 C ILE A 15 0.463 -3.276 -7.129 1.00 13.24 C ATOM 248 O ILE A 15 0.086 -3.437 -5.967 1.00 61.12 O ATOM 249 CB ILE A 15 -1.159 -2.310 -8.762 1.00 23.40 C ATOM 250 CG1 ILE A 15 -2.055 -1.767 -7.648 1.00 33.25 C ATOM 251 CG2 ILE A 15 -1.970 -2.570 -10.023 1.00 2.33 C ATOM 252 CD1 ILE A 15 -3.450 -2.352 -7.655 1.00 55.35 C ATOM 0 H ILE A 15 -2.026 -4.392 -7.160 1.00 71.54 H new ATOM 0 HA ILE A 15 0.139 -3.995 -9.127 1.00 14.01 H new ATOM 0 HB ILE A 15 -0.400 -1.561 -8.989 1.00 23.40 H new ATOM 0 HG12 ILE A 15 -1.588 -1.973 -6.685 1.00 33.25 H new ATOM 0 HG13 ILE A 15 -2.124 -0.683 -7.744 1.00 33.25 H new ATOM 0 HG21 ILE A 15 -2.462 -1.649 -10.336 1.00 2.33 H new ATOM 0 HG22 ILE A 15 -1.308 -2.916 -10.817 1.00 2.33 H new ATOM 0 HG23 ILE A 15 -2.723 -3.332 -9.821 1.00 2.33 H new ATOM 0 HD11 ILE A 15 -4.029 -1.922 -6.838 1.00 55.35 H new ATOM 0 HD12 ILE A 15 -3.936 -2.124 -8.604 1.00 55.35 H new ATOM 0 HD13 ILE A 15 -3.392 -3.433 -7.528 1.00 55.35 H new ATOM 264 N THR A 16 1.670 -2.815 -7.439 1.00 43.42 N ATOM 265 CA THR A 16 2.643 -2.465 -6.411 1.00 73.53 C ATOM 266 C THR A 16 3.044 -0.998 -6.509 1.00 54.04 C ATOM 267 O THR A 16 4.207 -0.677 -6.750 1.00 25.34 O ATOM 268 CB THR A 16 3.907 -3.339 -6.514 1.00 61.22 C ATOM 269 OG1 THR A 16 4.895 -2.883 -5.583 1.00 71.12 O ATOM 270 CG2 THR A 16 4.477 -3.303 -7.924 1.00 52.23 C ATOM 0 H THR A 16 1.998 -2.675 -8.395 1.00 43.42 H new ATOM 0 HA THR A 16 2.164 -2.644 -5.448 1.00 73.53 H new ATOM 0 HB THR A 16 3.631 -4.367 -6.277 1.00 61.22 H new ATOM 0 HG1 THR A 16 5.236 -2.010 -5.870 1.00 71.12 H new ATOM 0 HG21 THR A 16 5.369 -3.928 -7.972 1.00 52.23 H new ATOM 0 HG22 THR A 16 3.733 -3.678 -8.627 1.00 52.23 H new ATOM 0 HG23 THR A 16 4.738 -2.277 -8.185 1.00 52.23 H new ATOM 278 N SER A 17 2.072 -0.110 -6.321 1.00 64.23 N ATOM 279 CA SER A 17 2.324 1.324 -6.392 1.00 0.43 C ATOM 280 C SER A 17 1.110 2.113 -5.911 1.00 12.21 C ATOM 281 O SER A 17 0.275 2.539 -6.710 1.00 41.33 O ATOM 282 CB SER A 17 2.677 1.732 -7.824 1.00 12.05 C ATOM 283 OG SER A 17 2.436 3.112 -8.035 1.00 1.52 O ATOM 0 H SER A 17 1.104 -0.359 -6.119 1.00 64.23 H new ATOM 0 HA SER A 17 3.166 1.552 -5.739 1.00 0.43 H new ATOM 0 HB2 SER A 17 3.725 1.508 -8.021 1.00 12.05 H new ATOM 0 HB3 SER A 17 2.088 1.145 -8.528 1.00 12.05 H new ATOM 0 HG SER A 17 1.476 3.292 -7.959 1.00 1.52 H new ATOM 289 N LEU A 18 1.018 2.304 -4.599 1.00 72.15 N ATOM 290 CA LEU A 18 -0.094 3.042 -4.010 1.00 31.52 C ATOM 291 C LEU A 18 0.355 4.422 -3.543 1.00 2.32 C ATOM 292 O LEU A 18 1.524 4.629 -3.213 1.00 53.12 O ATOM 293 CB LEU A 18 -0.684 2.260 -2.834 1.00 51.15 C ATOM 294 CG LEU A 18 -2.096 1.708 -3.036 1.00 44.15 C ATOM 295 CD1 LEU A 18 -2.528 0.893 -1.828 1.00 20.33 C ATOM 296 CD2 LEU A 18 -3.079 2.840 -3.298 1.00 24.01 C ATOM 0 H LEU A 18 1.700 1.958 -3.924 1.00 72.15 H new ATOM 0 HA LEU A 18 -0.860 3.169 -4.775 1.00 31.52 H new ATOM 0 HB2 LEU A 18 -0.019 1.427 -2.607 1.00 51.15 H new ATOM 0 HB3 LEU A 18 -0.691 2.910 -1.959 1.00 51.15 H new ATOM 0 HG LEU A 18 -2.088 1.052 -3.907 1.00 44.15 H new ATOM 0 HD11 LEU A 18 -3.535 0.508 -1.990 1.00 20.33 H new ATOM 0 HD12 LEU A 18 -1.840 0.060 -1.686 1.00 20.33 H new ATOM 0 HD13 LEU A 18 -2.520 1.526 -0.940 1.00 20.33 H new ATOM 0 HD21 LEU A 18 -4.078 2.429 -3.439 1.00 24.01 H new ATOM 0 HD22 LEU A 18 -3.084 3.522 -2.447 1.00 24.01 H new ATOM 0 HD23 LEU A 18 -2.779 3.382 -4.195 1.00 24.01 H new ATOM 308 N THR A 19 -0.581 5.366 -3.515 1.00 31.22 N ATOM 309 CA THR A 19 -0.282 6.727 -3.087 1.00 74.41 C ATOM 310 C THR A 19 -0.413 6.869 -1.575 1.00 62.10 C ATOM 311 O THR A 19 -0.775 5.918 -0.881 1.00 50.45 O ATOM 312 CB THR A 19 -1.213 7.747 -3.769 1.00 71.15 C ATOM 313 OG1 THR A 19 -1.794 7.171 -4.945 1.00 22.23 O ATOM 314 CG2 THR A 19 -0.451 9.010 -4.141 1.00 53.21 C ATOM 0 H THR A 19 -1.553 5.213 -3.784 1.00 31.22 H new ATOM 0 HA THR A 19 0.747 6.932 -3.381 1.00 74.41 H new ATOM 0 HB THR A 19 -2.003 8.011 -3.066 1.00 71.15 H new ATOM 0 HG1 THR A 19 -1.955 7.874 -5.608 1.00 22.23 H new ATOM 0 HG21 THR A 19 -1.129 9.716 -4.621 1.00 53.21 H new ATOM 0 HG22 THR A 19 -0.034 9.462 -3.241 1.00 53.21 H new ATOM 0 HG23 THR A 19 0.357 8.758 -4.828 1.00 53.21 H new ATOM 322 N ASP A 20 -0.116 8.061 -1.070 1.00 51.20 N ATOM 323 CA ASP A 20 -0.202 8.328 0.361 1.00 0.30 C ATOM 324 C ASP A 20 -1.120 9.515 0.638 1.00 3.01 C ATOM 325 O ASP A 20 -1.267 9.945 1.782 1.00 22.35 O ATOM 326 CB ASP A 20 1.189 8.599 0.935 1.00 25.35 C ATOM 327 CG ASP A 20 2.089 9.325 -0.045 1.00 4.12 C ATOM 328 OD1 ASP A 20 1.610 10.274 -0.700 1.00 53.21 O ATOM 329 OD2 ASP A 20 3.274 8.945 -0.156 1.00 54.31 O ATOM 0 H ASP A 20 0.186 8.858 -1.630 1.00 51.20 H new ATOM 0 HA ASP A 20 -0.621 7.446 0.846 1.00 0.30 H new ATOM 0 HB2 ASP A 20 1.094 9.192 1.845 1.00 25.35 H new ATOM 0 HB3 ASP A 20 1.653 7.654 1.218 1.00 25.35 H new ATOM 334 N ASP A 21 -1.733 10.040 -0.416 1.00 54.53 N ATOM 335 CA ASP A 21 -2.637 11.178 -0.287 1.00 20.21 C ATOM 336 C ASP A 21 -4.088 10.713 -0.204 1.00 65.22 C ATOM 337 O ASP A 21 -4.826 11.108 0.697 1.00 25.33 O ATOM 338 CB ASP A 21 -2.461 12.133 -1.468 1.00 52.14 C ATOM 339 CG ASP A 21 -1.943 13.492 -1.042 1.00 3.32 C ATOM 340 OD1 ASP A 21 -1.168 13.552 -0.064 1.00 13.14 O ATOM 341 OD2 ASP A 21 -2.311 14.496 -1.687 1.00 3.25 O ATOM 0 H ASP A 21 -1.621 9.696 -1.370 1.00 54.53 H new ATOM 0 HA ASP A 21 -2.390 11.704 0.635 1.00 20.21 H new ATOM 0 HB2 ASP A 21 -1.770 11.693 -2.187 1.00 52.14 H new ATOM 0 HB3 ASP A 21 -3.417 12.255 -1.978 1.00 52.14 H new ATOM 346 N ASN A 22 -4.489 9.872 -1.152 1.00 51.21 N ATOM 347 CA ASN A 22 -5.852 9.355 -1.187 1.00 71.43 C ATOM 348 C ASN A 22 -5.863 7.839 -1.010 1.00 14.41 C ATOM 349 O ASN A 22 -6.685 7.295 -0.271 1.00 43.10 O ATOM 350 CB ASN A 22 -6.528 9.730 -2.508 1.00 34.25 C ATOM 351 CG ASN A 22 -7.068 11.147 -2.498 1.00 74.12 C ATOM 352 OD1 ASN A 22 -8.086 11.387 -1.679 1.00 45.30 O flip ATOM 353 ND2 ASN A 22 -6.577 12.015 -3.219 1.00 24.21 N flip ATOM 0 H ASN A 22 -3.890 9.534 -1.905 1.00 51.21 H new ATOM 0 HA ASN A 22 -6.406 9.804 -0.363 1.00 71.43 H new ATOM 0 HB2 ASN A 22 -5.812 9.622 -3.323 1.00 34.25 H new ATOM 0 HB3 ASN A 22 -7.344 9.034 -2.706 1.00 34.25 H new ATOM 0 HD21 ASN A 22 -5.795 11.786 -3.833 1.00 24.21 H new ATOM 0 HD22 ASN A 22 -6.952 12.964 -3.203 1.00 24.21 H new ATOM 360 N THR A 23 -4.945 7.162 -1.693 1.00 13.14 N ATOM 361 CA THR A 23 -4.849 5.710 -1.611 1.00 52.25 C ATOM 362 C THR A 23 -6.135 5.046 -2.092 1.00 2.45 C ATOM 363 O THR A 23 -6.232 4.620 -3.243 1.00 3.03 O ATOM 364 CB THR A 23 -4.552 5.246 -0.173 1.00 44.31 C ATOM 365 OG1 THR A 23 -3.264 5.719 0.238 1.00 41.34 O ATOM 366 CG2 THR A 23 -4.596 3.729 -0.074 1.00 25.02 C ATOM 0 H THR A 23 -4.258 7.596 -2.309 1.00 13.14 H new ATOM 0 HA THR A 23 -4.024 5.411 -2.258 1.00 52.25 H new ATOM 0 HB THR A 23 -5.317 5.659 0.484 1.00 44.31 H new ATOM 0 HG1 THR A 23 -3.166 5.603 1.206 1.00 41.34 H new ATOM 0 HG21 THR A 23 -4.383 3.425 0.951 1.00 25.02 H new ATOM 0 HG22 THR A 23 -5.586 3.374 -0.359 1.00 25.02 H new ATOM 0 HG23 THR A 23 -3.850 3.299 -0.742 1.00 25.02 H new ATOM 374 N ILE A 24 -7.119 4.963 -1.203 1.00 74.12 N ATOM 375 CA ILE A 24 -8.400 4.352 -1.538 1.00 41.41 C ATOM 376 C ILE A 24 -9.179 5.215 -2.525 1.00 0.20 C ATOM 377 O ILE A 24 -9.645 4.731 -3.556 1.00 24.42 O ATOM 378 CB ILE A 24 -9.261 4.125 -0.282 1.00 22.25 C ATOM 379 CG1 ILE A 24 -8.502 3.269 0.735 1.00 10.41 C ATOM 380 CG2 ILE A 24 -10.580 3.467 -0.656 1.00 35.33 C ATOM 381 CD1 ILE A 24 -7.765 4.081 1.777 1.00 31.04 C ATOM 0 H ILE A 24 -7.054 5.311 -0.246 1.00 74.12 H new ATOM 0 HA ILE A 24 -8.179 3.388 -1.997 1.00 41.41 H new ATOM 0 HB ILE A 24 -9.476 5.092 0.173 1.00 22.25 H new ATOM 0 HG12 ILE A 24 -9.206 2.604 1.235 1.00 10.41 H new ATOM 0 HG13 ILE A 24 -7.788 2.638 0.206 1.00 10.41 H new ATOM 0 HG21 ILE A 24 -11.177 3.313 0.243 1.00 35.33 H new ATOM 0 HG22 ILE A 24 -11.124 4.110 -1.348 1.00 35.33 H new ATOM 0 HG23 ILE A 24 -10.385 2.506 -1.131 1.00 35.33 H new ATOM 0 HD11 ILE A 24 -7.250 3.410 2.464 1.00 31.04 H new ATOM 0 HD12 ILE A 24 -7.037 4.727 1.287 1.00 31.04 H new ATOM 0 HD13 ILE A 24 -8.477 4.692 2.332 1.00 31.04 H new ATOM 393 N ALA A 25 -9.315 6.497 -2.202 1.00 52.24 N ATOM 394 CA ALA A 25 -10.034 7.429 -3.062 1.00 53.02 C ATOM 395 C ALA A 25 -9.413 7.483 -4.454 1.00 33.11 C ATOM 396 O ALA A 25 -10.122 7.559 -5.457 1.00 32.03 O ATOM 397 CB ALA A 25 -10.054 8.816 -2.437 1.00 53.00 C ATOM 0 H ALA A 25 -8.937 6.914 -1.351 1.00 52.24 H new ATOM 0 HA ALA A 25 -11.059 7.073 -3.164 1.00 53.02 H new ATOM 0 HB1 ALA A 25 -10.594 9.502 -3.090 1.00 53.00 H new ATOM 0 HB2 ALA A 25 -10.550 8.771 -1.468 1.00 53.00 H new ATOM 0 HB3 ALA A 25 -9.032 9.170 -2.305 1.00 53.00 H new ATOM 403 N GLU A 26 -8.086 7.443 -4.506 1.00 45.54 N ATOM 404 CA GLU A 26 -7.370 7.489 -5.776 1.00 53.53 C ATOM 405 C GLU A 26 -7.587 6.204 -6.570 1.00 15.31 C ATOM 406 O GLU A 26 -7.745 6.234 -7.791 1.00 40.42 O ATOM 407 CB GLU A 26 -5.875 7.708 -5.537 1.00 62.51 C ATOM 408 CG GLU A 26 -5.047 7.699 -6.811 1.00 50.22 C ATOM 409 CD GLU A 26 -4.324 9.011 -7.046 1.00 53.40 C ATOM 410 OE1 GLU A 26 -3.610 9.467 -6.128 1.00 70.03 O ATOM 411 OE2 GLU A 26 -4.473 9.583 -8.146 1.00 62.43 O ATOM 0 H GLU A 26 -7.485 7.379 -3.685 1.00 45.54 H new ATOM 0 HA GLU A 26 -7.764 8.324 -6.355 1.00 53.53 H new ATOM 0 HB2 GLU A 26 -5.733 8.661 -5.028 1.00 62.51 H new ATOM 0 HB3 GLU A 26 -5.505 6.931 -4.868 1.00 62.51 H new ATOM 0 HG2 GLU A 26 -4.318 6.891 -6.760 1.00 50.22 H new ATOM 0 HG3 GLU A 26 -5.697 7.489 -7.661 1.00 50.22 H new ATOM 418 N LEU A 27 -7.594 5.077 -5.868 1.00 31.41 N ATOM 419 CA LEU A 27 -7.791 3.779 -6.506 1.00 14.53 C ATOM 420 C LEU A 27 -9.200 3.663 -7.080 1.00 2.45 C ATOM 421 O LEU A 27 -9.381 3.285 -8.237 1.00 34.00 O ATOM 422 CB LEU A 27 -7.543 2.652 -5.502 1.00 1.43 C ATOM 423 CG LEU A 27 -6.367 1.725 -5.811 1.00 0.31 C ATOM 424 CD1 LEU A 27 -6.655 0.893 -7.051 1.00 0.21 C ATOM 425 CD2 LEU A 27 -5.087 2.529 -5.991 1.00 33.21 C ATOM 0 H LEU A 27 -7.466 5.035 -4.857 1.00 31.41 H new ATOM 0 HA LEU A 27 -7.076 3.692 -7.324 1.00 14.53 H new ATOM 0 HB2 LEU A 27 -7.381 3.096 -4.520 1.00 1.43 H new ATOM 0 HB3 LEU A 27 -8.448 2.048 -5.433 1.00 1.43 H new ATOM 0 HG LEU A 27 -6.231 1.048 -4.968 1.00 0.31 H new ATOM 0 HD11 LEU A 27 -5.807 0.239 -7.256 1.00 0.21 H new ATOM 0 HD12 LEU A 27 -7.547 0.289 -6.885 1.00 0.21 H new ATOM 0 HD13 LEU A 27 -6.818 1.554 -7.903 1.00 0.21 H new ATOM 0 HD21 LEU A 27 -4.261 1.853 -6.210 1.00 33.21 H new ATOM 0 HD22 LEU A 27 -5.211 3.230 -6.816 1.00 33.21 H new ATOM 0 HD23 LEU A 27 -4.872 3.080 -5.076 1.00 33.21 H new ATOM 437 N LYS A 28 -10.195 3.994 -6.263 1.00 62.41 N ATOM 438 CA LYS A 28 -11.588 3.930 -6.689 1.00 42.31 C ATOM 439 C LYS A 28 -11.864 4.941 -7.798 1.00 32.13 C ATOM 440 O LYS A 28 -12.589 4.651 -8.749 1.00 23.03 O ATOM 441 CB LYS A 28 -12.518 4.192 -5.502 1.00 41.14 C ATOM 442 CG LYS A 28 -12.384 5.589 -4.921 1.00 23.21 C ATOM 443 CD LYS A 28 -13.209 5.747 -3.655 1.00 3.42 C ATOM 444 CE LYS A 28 -14.697 5.607 -3.938 1.00 4.31 C ATOM 445 NZ LYS A 28 -15.509 6.546 -3.115 1.00 24.44 N ATOM 0 H LYS A 28 -10.062 4.309 -5.302 1.00 62.41 H new ATOM 0 HA LYS A 28 -11.778 2.930 -7.078 1.00 42.31 H new ATOM 0 HB2 LYS A 28 -13.549 4.037 -5.818 1.00 41.14 H new ATOM 0 HB3 LYS A 28 -12.311 3.461 -4.720 1.00 41.14 H new ATOM 0 HG2 LYS A 28 -11.336 5.794 -4.702 1.00 23.21 H new ATOM 0 HG3 LYS A 28 -12.705 6.324 -5.660 1.00 23.21 H new ATOM 0 HD2 LYS A 28 -12.904 4.997 -2.925 1.00 3.42 H new ATOM 0 HD3 LYS A 28 -13.012 6.723 -3.211 1.00 3.42 H new ATOM 0 HE2 LYS A 28 -14.885 5.795 -4.995 1.00 4.31 H new ATOM 0 HE3 LYS A 28 -15.010 4.583 -3.736 1.00 4.31 H new ATOM 0 HZ1 LYS A 28 -16.517 6.420 -3.337 1.00 24.44 H new ATOM 0 HZ2 LYS A 28 -15.350 6.350 -2.106 1.00 24.44 H new ATOM 0 HZ3 LYS A 28 -15.228 7.525 -3.326 1.00 24.44 H new ATOM 459 N GLY A 29 -11.280 6.129 -7.669 1.00 33.40 N ATOM 460 CA GLY A 29 -11.475 7.163 -8.668 1.00 11.11 C ATOM 461 C GLY A 29 -10.837 6.813 -9.997 1.00 43.03 C ATOM 462 O GLY A 29 -11.351 7.173 -11.056 1.00 53.42 O ATOM 0 H GLY A 29 -10.676 6.393 -6.891 1.00 33.40 H new ATOM 0 HA2 GLY A 29 -12.543 7.327 -8.813 1.00 11.11 H new ATOM 0 HA3 GLY A 29 -11.055 8.100 -8.303 1.00 11.11 H new ATOM 466 N LYS A 30 -9.711 6.110 -9.944 1.00 63.51 N ATOM 467 CA LYS A 30 -9.000 5.710 -11.153 1.00 4.32 C ATOM 468 C LYS A 30 -9.752 4.605 -11.887 1.00 53.30 C ATOM 469 O LYS A 30 -9.756 4.555 -13.118 1.00 31.32 O ATOM 470 CB LYS A 30 -7.587 5.235 -10.805 1.00 10.33 C ATOM 471 CG LYS A 30 -6.598 6.369 -10.596 1.00 14.35 C ATOM 472 CD LYS A 30 -5.774 6.628 -11.845 1.00 62.24 C ATOM 473 CE LYS A 30 -4.946 7.897 -11.715 1.00 14.45 C ATOM 474 NZ LYS A 30 -3.740 7.688 -10.867 1.00 10.31 N ATOM 0 H LYS A 30 -9.271 5.805 -9.076 1.00 63.51 H new ATOM 0 HA LYS A 30 -8.934 6.578 -11.809 1.00 4.32 H new ATOM 0 HB2 LYS A 30 -7.629 4.629 -9.900 1.00 10.33 H new ATOM 0 HB3 LYS A 30 -7.223 4.589 -11.604 1.00 10.33 H new ATOM 0 HG2 LYS A 30 -7.136 7.276 -10.320 1.00 14.35 H new ATOM 0 HG3 LYS A 30 -5.935 6.126 -9.766 1.00 14.35 H new ATOM 0 HD2 LYS A 30 -5.115 5.780 -12.029 1.00 62.24 H new ATOM 0 HD3 LYS A 30 -6.435 6.711 -12.707 1.00 62.24 H new ATOM 0 HE2 LYS A 30 -4.640 8.234 -12.705 1.00 14.45 H new ATOM 0 HE3 LYS A 30 -5.560 8.689 -11.285 1.00 14.45 H new ATOM 0 HZ1 LYS A 30 -3.202 8.576 -10.803 1.00 10.31 H new ATOM 0 HZ2 LYS A 30 -4.033 7.391 -9.914 1.00 10.31 H new ATOM 0 HZ3 LYS A 30 -3.141 6.951 -11.291 1.00 10.31 H new ATOM 488 N LEU A 31 -10.390 3.723 -11.125 1.00 44.04 N ATOM 489 CA LEU A 31 -11.148 2.619 -11.704 1.00 42.20 C ATOM 490 C LEU A 31 -12.400 3.130 -12.410 1.00 21.41 C ATOM 491 O LEU A 31 -12.728 2.686 -13.510 1.00 23.02 O ATOM 492 CB LEU A 31 -11.535 1.615 -10.617 1.00 1.22 C ATOM 493 CG LEU A 31 -11.779 0.180 -11.085 1.00 15.24 C ATOM 494 CD1 LEU A 31 -11.599 -0.795 -9.932 1.00 23.30 C ATOM 495 CD2 LEU A 31 -13.171 0.045 -11.687 1.00 4.34 C ATOM 0 H LEU A 31 -10.398 3.751 -10.105 1.00 44.04 H new ATOM 0 HA LEU A 31 -10.516 2.122 -12.440 1.00 42.20 H new ATOM 0 HB2 LEU A 31 -10.746 1.602 -9.865 1.00 1.22 H new ATOM 0 HB3 LEU A 31 -12.439 1.974 -10.124 1.00 1.22 H new ATOM 0 HG LEU A 31 -11.046 -0.060 -11.855 1.00 15.24 H new ATOM 0 HD11 LEU A 31 -11.777 -1.811 -10.284 1.00 23.30 H new ATOM 0 HD12 LEU A 31 -10.583 -0.717 -9.545 1.00 23.30 H new ATOM 0 HD13 LEU A 31 -12.308 -0.556 -9.140 1.00 23.30 H new ATOM 0 HD21 LEU A 31 -13.328 -0.983 -12.015 1.00 4.34 H new ATOM 0 HD22 LEU A 31 -13.918 0.305 -10.937 1.00 4.34 H new ATOM 0 HD23 LEU A 31 -13.265 0.716 -12.541 1.00 4.34 H new ATOM 507 N GLU A 32 -13.094 4.066 -11.770 1.00 62.31 N ATOM 508 CA GLU A 32 -14.309 4.637 -12.338 1.00 51.13 C ATOM 509 C GLU A 32 -13.990 5.476 -13.573 1.00 33.04 C ATOM 510 O GLU A 32 -14.718 5.441 -14.564 1.00 34.31 O ATOM 511 CB GLU A 32 -15.031 5.495 -11.297 1.00 42.53 C ATOM 512 CG GLU A 32 -14.174 6.617 -10.734 1.00 34.14 C ATOM 513 CD GLU A 32 -14.891 7.416 -9.662 1.00 63.40 C ATOM 514 OE1 GLU A 32 -15.555 6.795 -8.806 1.00 14.54 O ATOM 515 OE2 GLU A 32 -14.787 8.660 -9.680 1.00 21.24 O ATOM 0 H GLU A 32 -12.836 4.444 -10.859 1.00 62.31 H new ATOM 0 HA GLU A 32 -14.961 3.816 -12.636 1.00 51.13 H new ATOM 0 HB2 GLU A 32 -15.925 5.924 -11.749 1.00 42.53 H new ATOM 0 HB3 GLU A 32 -15.362 4.856 -10.478 1.00 42.53 H new ATOM 0 HG2 GLU A 32 -13.259 6.196 -10.317 1.00 34.14 H new ATOM 0 HG3 GLU A 32 -13.878 7.285 -11.543 1.00 34.14 H new ATOM 522 N GLU A 33 -12.897 6.230 -13.503 1.00 34.43 N ATOM 523 CA GLU A 33 -12.483 7.078 -14.614 1.00 13.43 C ATOM 524 C GLU A 33 -12.025 6.236 -15.801 1.00 22.15 C ATOM 525 O GLU A 33 -12.235 6.605 -16.956 1.00 11.33 O ATOM 526 CB GLU A 33 -11.357 8.017 -14.175 1.00 52.12 C ATOM 527 CG GLU A 33 -11.309 9.318 -14.959 1.00 61.45 C ATOM 528 CD GLU A 33 -12.431 10.266 -14.585 1.00 41.45 C ATOM 529 OE1 GLU A 33 -13.542 10.116 -15.135 1.00 52.13 O ATOM 530 OE2 GLU A 33 -12.198 11.159 -13.744 1.00 32.02 O ATOM 0 H GLU A 33 -12.283 6.271 -12.689 1.00 34.43 H new ATOM 0 HA GLU A 33 -13.342 7.673 -14.924 1.00 13.43 H new ATOM 0 HB2 GLU A 33 -11.478 8.245 -13.116 1.00 52.12 H new ATOM 0 HB3 GLU A 33 -10.403 7.502 -14.283 1.00 52.12 H new ATOM 0 HG2 GLU A 33 -10.351 9.808 -14.784 1.00 61.45 H new ATOM 0 HG3 GLU A 33 -11.365 9.098 -16.025 1.00 61.45 H new ATOM 537 N SER A 34 -11.397 5.102 -15.506 1.00 44.13 N ATOM 538 CA SER A 34 -10.904 4.209 -16.548 1.00 60.41 C ATOM 539 C SER A 34 -12.058 3.648 -17.374 1.00 12.42 C ATOM 540 O SER A 34 -11.996 3.613 -18.602 1.00 62.31 O ATOM 541 CB SER A 34 -10.102 3.063 -15.929 1.00 65.50 C ATOM 542 OG SER A 34 -9.574 2.210 -16.931 1.00 32.14 O ATOM 0 H SER A 34 -11.218 4.780 -14.555 1.00 44.13 H new ATOM 0 HA SER A 34 -10.254 4.784 -17.207 1.00 60.41 H new ATOM 0 HB2 SER A 34 -9.289 3.468 -15.326 1.00 65.50 H new ATOM 0 HB3 SER A 34 -10.741 2.489 -15.258 1.00 65.50 H new ATOM 0 HG SER A 34 -9.064 1.487 -16.510 1.00 32.14 H new ATOM 548 N GLU A 35 -13.110 3.212 -16.689 1.00 35.14 N ATOM 549 CA GLU A 35 -14.279 2.652 -17.358 1.00 43.44 C ATOM 550 C GLU A 35 -15.188 3.760 -17.883 1.00 4.30 C ATOM 551 O GLU A 35 -16.168 3.497 -18.578 1.00 31.12 O ATOM 552 CB GLU A 35 -15.058 1.748 -16.402 1.00 15.24 C ATOM 553 CG GLU A 35 -14.471 0.354 -16.267 1.00 63.52 C ATOM 554 CD GLU A 35 -15.020 -0.613 -17.299 1.00 2.13 C ATOM 555 OE1 GLU A 35 -16.237 -0.890 -17.263 1.00 12.54 O ATOM 556 OE2 GLU A 35 -14.233 -1.092 -18.141 1.00 61.53 O ATOM 0 H GLU A 35 -13.177 3.236 -15.671 1.00 35.14 H new ATOM 0 HA GLU A 35 -13.932 2.059 -18.204 1.00 43.44 H new ATOM 0 HB2 GLU A 35 -15.090 2.216 -15.418 1.00 15.24 H new ATOM 0 HB3 GLU A 35 -16.088 1.667 -16.750 1.00 15.24 H new ATOM 0 HG2 GLU A 35 -13.387 0.409 -16.367 1.00 63.52 H new ATOM 0 HG3 GLU A 35 -14.680 -0.029 -15.268 1.00 63.52 H new ATOM 563 N GLY A 36 -14.854 5.002 -17.544 1.00 21.01 N ATOM 564 CA GLY A 36 -15.650 6.131 -17.988 1.00 4.51 C ATOM 565 C GLY A 36 -16.747 6.490 -17.005 1.00 45.02 C ATOM 566 O GLY A 36 -16.971 7.666 -16.718 1.00 12.12 O ATOM 0 H GLY A 36 -14.047 5.246 -16.970 1.00 21.01 H new ATOM 0 HA2 GLY A 36 -15.001 6.994 -18.134 1.00 4.51 H new ATOM 0 HA3 GLY A 36 -16.095 5.900 -18.956 1.00 4.51 H new ATOM 570 N ILE A 37 -17.432 5.475 -16.490 1.00 0.11 N ATOM 571 CA ILE A 37 -18.512 5.690 -15.534 1.00 64.14 C ATOM 572 C ILE A 37 -18.468 4.656 -14.414 1.00 41.41 C ATOM 573 O ILE A 37 -17.948 3.552 -14.575 1.00 32.14 O ATOM 574 CB ILE A 37 -19.890 5.630 -16.219 1.00 43.14 C ATOM 575 CG1 ILE A 37 -19.979 4.403 -17.128 1.00 62.35 C ATOM 576 CG2 ILE A 37 -20.142 6.903 -17.013 1.00 14.30 C ATOM 577 CD1 ILE A 37 -21.382 3.854 -17.266 1.00 65.55 C ATOM 0 H ILE A 37 -17.259 4.496 -16.718 1.00 0.11 H new ATOM 0 HA ILE A 37 -18.368 6.685 -15.113 1.00 64.14 H new ATOM 0 HB ILE A 37 -20.658 5.546 -15.450 1.00 43.14 H new ATOM 0 HG12 ILE A 37 -19.601 4.665 -18.116 1.00 62.35 H new ATOM 0 HG13 ILE A 37 -19.329 3.622 -16.735 1.00 62.35 H new ATOM 0 HG21 ILE A 37 -21.120 6.846 -17.491 1.00 14.30 H new ATOM 0 HG22 ILE A 37 -20.116 7.762 -16.342 1.00 14.30 H new ATOM 0 HG23 ILE A 37 -19.371 7.015 -17.775 1.00 14.30 H new ATOM 0 HD11 ILE A 37 -21.370 2.985 -17.924 1.00 65.55 H new ATOM 0 HD12 ILE A 37 -21.756 3.561 -16.285 1.00 65.55 H new ATOM 0 HD13 ILE A 37 -22.033 4.620 -17.688 1.00 65.55 H new ATOM 589 N PRO A 38 -19.028 5.021 -13.251 1.00 71.50 N ATOM 590 CA PRO A 38 -19.068 4.138 -12.081 1.00 52.12 C ATOM 591 C PRO A 38 -20.012 2.957 -12.278 1.00 61.43 C ATOM 592 O PRO A 38 -21.092 3.101 -12.849 1.00 61.25 O ATOM 593 CB PRO A 38 -19.581 5.052 -10.965 1.00 72.32 C ATOM 594 CG PRO A 38 -20.356 6.111 -11.669 1.00 51.43 C ATOM 595 CD PRO A 38 -19.666 6.322 -12.989 1.00 30.53 C ATOM 0 HA PRO A 38 -18.095 3.692 -11.873 1.00 52.12 H new ATOM 0 HB2 PRO A 38 -20.208 4.504 -10.261 1.00 72.32 H new ATOM 0 HB3 PRO A 38 -18.757 5.479 -10.393 1.00 72.32 H new ATOM 0 HG2 PRO A 38 -21.392 5.805 -11.815 1.00 51.43 H new ATOM 0 HG3 PRO A 38 -20.375 7.032 -11.087 1.00 51.43 H new ATOM 0 HD2 PRO A 38 -20.373 6.588 -13.774 1.00 30.53 H new ATOM 0 HD3 PRO A 38 -18.932 7.126 -12.935 1.00 30.53 H new ATOM 603 N GLY A 39 -19.597 1.787 -11.801 1.00 4.10 N ATOM 604 CA GLY A 39 -20.417 0.598 -11.935 1.00 33.34 C ATOM 605 C GLY A 39 -21.797 0.774 -11.332 1.00 3.43 C ATOM 606 O GLY A 39 -22.800 0.415 -11.946 1.00 33.03 O ATOM 0 H GLY A 39 -18.707 1.642 -11.324 1.00 4.10 H new ATOM 0 HA2 GLY A 39 -20.515 0.345 -12.991 1.00 33.34 H new ATOM 0 HA3 GLY A 39 -19.917 -0.241 -11.451 1.00 33.34 H new ATOM 610 N ASN A 40 -21.847 1.328 -10.125 1.00 3.35 N ATOM 611 CA ASN A 40 -23.114 1.550 -9.437 1.00 63.21 C ATOM 612 C ASN A 40 -22.881 2.086 -8.028 1.00 34.33 C ATOM 613 O ASN A 40 -23.138 3.256 -7.748 1.00 1.41 O ATOM 614 CB ASN A 40 -23.918 0.250 -9.374 1.00 62.43 C ATOM 615 CG ASN A 40 -25.215 0.334 -10.155 1.00 33.12 C ATOM 616 OD1 ASN A 40 -25.320 -0.188 -11.265 1.00 30.54 O ATOM 617 ND2 ASN A 40 -26.212 0.994 -9.576 1.00 44.44 N ATOM 0 H ASN A 40 -21.025 1.631 -9.603 1.00 3.35 H new ATOM 0 HA ASN A 40 -23.680 2.292 -10.000 1.00 63.21 H new ATOM 0 HB2 ASN A 40 -23.313 -0.567 -9.766 1.00 62.43 H new ATOM 0 HB3 ASN A 40 -24.138 0.012 -8.333 1.00 62.43 H new ATOM 0 HD21 ASN A 40 -27.109 1.084 -10.053 1.00 44.44 H new ATOM 0 HD22 ASN A 40 -26.080 1.411 -8.654 1.00 44.44 H new ATOM 624 N MET A 41 -22.394 1.221 -7.144 1.00 62.44 N ATOM 625 CA MET A 41 -22.125 1.608 -5.764 1.00 71.33 C ATOM 626 C MET A 41 -20.628 1.785 -5.531 1.00 52.52 C ATOM 627 O MET A 41 -20.205 2.708 -4.835 1.00 4.52 O ATOM 628 CB MET A 41 -22.682 0.559 -4.800 1.00 72.42 C ATOM 629 CG MET A 41 -24.158 0.744 -4.487 1.00 71.11 C ATOM 630 SD MET A 41 -24.685 -0.197 -3.042 1.00 71.22 S ATOM 631 CE MET A 41 -25.806 0.967 -2.270 1.00 73.04 C ATOM 0 H MET A 41 -22.178 0.248 -7.359 1.00 62.44 H new ATOM 0 HA MET A 41 -22.619 2.561 -5.577 1.00 71.33 H new ATOM 0 HB2 MET A 41 -22.531 -0.432 -5.228 1.00 72.42 H new ATOM 0 HB3 MET A 41 -22.115 0.594 -3.870 1.00 72.42 H new ATOM 0 HG2 MET A 41 -24.360 1.802 -4.320 1.00 71.11 H new ATOM 0 HG3 MET A 41 -24.749 0.439 -5.350 1.00 71.11 H new ATOM 0 HE1 MET A 41 -26.216 0.529 -1.360 1.00 73.04 H new ATOM 0 HE2 MET A 41 -25.267 1.881 -2.022 1.00 73.04 H new ATOM 0 HE3 MET A 41 -26.619 1.200 -2.958 1.00 73.04 H new ATOM 641 N ILE A 42 -19.833 0.897 -6.117 1.00 70.22 N ATOM 642 CA ILE A 42 -18.384 0.957 -5.973 1.00 42.12 C ATOM 643 C ILE A 42 -17.978 0.977 -4.503 1.00 62.05 C ATOM 644 O ILE A 42 -17.239 1.859 -4.065 1.00 33.01 O ATOM 645 CB ILE A 42 -17.800 2.199 -6.672 1.00 62.03 C ATOM 646 CG1 ILE A 42 -18.473 2.411 -8.030 1.00 15.04 C ATOM 647 CG2 ILE A 42 -16.295 2.054 -6.839 1.00 5.22 C ATOM 648 CD1 ILE A 42 -19.592 3.429 -7.997 1.00 4.23 C ATOM 0 H ILE A 42 -20.168 0.127 -6.696 1.00 70.22 H new ATOM 0 HA ILE A 42 -17.982 0.061 -6.446 1.00 42.12 H new ATOM 0 HB ILE A 42 -17.995 3.073 -6.050 1.00 62.03 H new ATOM 0 HG12 ILE A 42 -17.722 2.731 -8.752 1.00 15.04 H new ATOM 0 HG13 ILE A 42 -18.869 1.459 -8.383 1.00 15.04 H new ATOM 0 HG21 ILE A 42 -15.897 2.939 -7.335 1.00 5.22 H new ATOM 0 HG22 ILE A 42 -15.829 1.946 -5.860 1.00 5.22 H new ATOM 0 HG23 ILE A 42 -16.079 1.173 -7.443 1.00 5.22 H new ATOM 0 HD11 ILE A 42 -20.023 3.528 -8.993 1.00 4.23 H new ATOM 0 HD12 ILE A 42 -20.362 3.100 -7.299 1.00 4.23 H new ATOM 0 HD13 ILE A 42 -19.198 4.393 -7.675 1.00 4.23 H new ATOM 660 N ARG A 43 -18.464 -0.002 -3.748 1.00 21.23 N ATOM 661 CA ARG A 43 -18.151 -0.098 -2.327 1.00 12.31 C ATOM 662 C ARG A 43 -17.336 -1.354 -2.033 1.00 0.30 C ATOM 663 O ARG A 43 -17.808 -2.474 -2.232 1.00 0.13 O ATOM 664 CB ARG A 43 -19.438 -0.107 -1.499 1.00 43.42 C ATOM 665 CG ARG A 43 -19.340 0.697 -0.213 1.00 1.30 C ATOM 666 CD ARG A 43 -19.735 2.149 -0.432 1.00 53.20 C ATOM 667 NE ARG A 43 -21.182 2.312 -0.542 1.00 75.22 N ATOM 668 CZ ARG A 43 -21.998 2.361 0.505 1.00 53.30 C ATOM 669 NH1 ARG A 43 -21.511 2.262 1.734 1.00 34.32 N ATOM 670 NH2 ARG A 43 -23.304 2.511 0.324 1.00 52.13 N ATOM 0 H ARG A 43 -19.076 -0.740 -4.096 1.00 21.23 H new ATOM 0 HA ARG A 43 -17.556 0.773 -2.052 1.00 12.31 H new ATOM 0 HB2 ARG A 43 -20.253 0.290 -2.105 1.00 43.42 H new ATOM 0 HB3 ARG A 43 -19.696 -1.138 -1.255 1.00 43.42 H new ATOM 0 HG2 ARG A 43 -19.986 0.253 0.545 1.00 1.30 H new ATOM 0 HG3 ARG A 43 -18.321 0.650 0.170 1.00 1.30 H new ATOM 0 HD2 ARG A 43 -19.364 2.754 0.395 1.00 53.20 H new ATOM 0 HD3 ARG A 43 -19.258 2.522 -1.339 1.00 53.20 H new ATOM 0 HE ARG A 43 -21.588 2.393 -1.474 1.00 75.22 H new ATOM 0 HH11 ARG A 43 -20.508 2.148 1.877 1.00 34.32 H new ATOM 0 HH12 ARG A 43 -22.140 2.300 2.536 1.00 34.32 H new ATOM 0 HH21 ARG A 43 -23.682 2.589 -0.620 1.00 52.13 H new ATOM 0 HH22 ARG A 43 -23.929 2.548 1.129 1.00 52.13 H new ATOM 684 N LEU A 44 -16.110 -1.159 -1.559 1.00 72.54 N ATOM 685 CA LEU A 44 -15.228 -2.276 -1.238 1.00 72.22 C ATOM 686 C LEU A 44 -15.120 -2.468 0.271 1.00 1.12 C ATOM 687 O LEU A 44 -15.345 -1.536 1.044 1.00 74.33 O ATOM 688 CB LEU A 44 -13.839 -2.043 -1.835 1.00 53.20 C ATOM 689 CG LEU A 44 -13.128 -0.761 -1.399 1.00 71.31 C ATOM 690 CD1 LEU A 44 -12.041 -1.073 -0.383 1.00 21.54 C ATOM 691 CD2 LEU A 44 -12.543 -0.040 -2.604 1.00 43.23 C ATOM 0 H LEU A 44 -15.704 -0.239 -1.389 1.00 72.54 H new ATOM 0 HA LEU A 44 -15.655 -3.180 -1.671 1.00 72.22 H new ATOM 0 HB2 LEU A 44 -13.207 -2.892 -1.575 1.00 53.20 H new ATOM 0 HB3 LEU A 44 -13.929 -2.033 -2.921 1.00 53.20 H new ATOM 0 HG LEU A 44 -13.860 -0.105 -0.928 1.00 71.31 H new ATOM 0 HD11 LEU A 44 -11.546 -0.149 -0.084 1.00 21.54 H new ATOM 0 HD12 LEU A 44 -12.486 -1.546 0.493 1.00 21.54 H new ATOM 0 HD13 LEU A 44 -11.310 -1.749 -0.828 1.00 21.54 H new ATOM 0 HD21 LEU A 44 -12.041 0.870 -2.275 1.00 43.23 H new ATOM 0 HD22 LEU A 44 -11.825 -0.690 -3.104 1.00 43.23 H new ATOM 0 HD23 LEU A 44 -13.343 0.218 -3.298 1.00 43.23 H new ATOM 703 N VAL A 45 -14.771 -3.682 0.685 1.00 72.11 N ATOM 704 CA VAL A 45 -14.629 -3.996 2.102 1.00 53.33 C ATOM 705 C VAL A 45 -13.179 -4.305 2.453 1.00 24.25 C ATOM 706 O VAL A 45 -12.575 -5.221 1.894 1.00 31.34 O ATOM 707 CB VAL A 45 -15.510 -5.194 2.502 1.00 31.03 C ATOM 708 CG1 VAL A 45 -15.476 -5.402 4.009 1.00 63.34 C ATOM 709 CG2 VAL A 45 -16.937 -4.992 2.016 1.00 13.22 C ATOM 0 H VAL A 45 -14.581 -4.465 0.059 1.00 72.11 H new ATOM 0 HA VAL A 45 -14.954 -3.115 2.656 1.00 53.33 H new ATOM 0 HB VAL A 45 -15.112 -6.090 2.026 1.00 31.03 H new ATOM 0 HG11 VAL A 45 -16.104 -6.253 4.273 1.00 63.34 H new ATOM 0 HG12 VAL A 45 -14.451 -5.595 4.327 1.00 63.34 H new ATOM 0 HG13 VAL A 45 -15.848 -4.507 4.508 1.00 63.34 H new ATOM 0 HG21 VAL A 45 -17.545 -5.848 2.308 1.00 13.22 H new ATOM 0 HG22 VAL A 45 -17.348 -4.086 2.461 1.00 13.22 H new ATOM 0 HG23 VAL A 45 -16.942 -4.897 0.930 1.00 13.22 H new ATOM 719 N TYR A 46 -12.624 -3.536 3.384 1.00 54.13 N ATOM 720 CA TYR A 46 -11.243 -3.726 3.809 1.00 21.45 C ATOM 721 C TYR A 46 -11.182 -4.429 5.162 1.00 3.35 C ATOM 722 O TYR A 46 -11.632 -3.890 6.174 1.00 64.44 O ATOM 723 CB TYR A 46 -10.521 -2.380 3.888 1.00 32.02 C ATOM 724 CG TYR A 46 -9.061 -2.452 3.503 1.00 23.54 C ATOM 725 CD1 TYR A 46 -8.667 -3.024 2.300 1.00 61.23 C ATOM 726 CD2 TYR A 46 -8.075 -1.950 4.344 1.00 63.45 C ATOM 727 CE1 TYR A 46 -7.334 -3.093 1.944 1.00 22.41 C ATOM 728 CE2 TYR A 46 -6.739 -2.014 3.996 1.00 54.25 C ATOM 729 CZ TYR A 46 -6.374 -2.586 2.795 1.00 21.40 C ATOM 730 OH TYR A 46 -5.045 -2.653 2.445 1.00 3.24 O ATOM 0 H TYR A 46 -13.110 -2.775 3.858 1.00 54.13 H new ATOM 0 HA TYR A 46 -10.745 -4.354 3.070 1.00 21.45 H new ATOM 0 HB2 TYR A 46 -11.025 -1.668 3.235 1.00 32.02 H new ATOM 0 HB3 TYR A 46 -10.601 -1.993 4.904 1.00 32.02 H new ATOM 0 HD1 TYR A 46 -9.416 -3.422 1.631 1.00 61.23 H new ATOM 0 HD2 TYR A 46 -8.358 -1.502 5.285 1.00 63.45 H new ATOM 0 HE1 TYR A 46 -7.045 -3.541 1.005 1.00 22.41 H new ATOM 0 HE2 TYR A 46 -5.985 -1.618 4.661 1.00 54.25 H new ATOM 0 HH TYR A 46 -4.633 -1.770 2.553 1.00 3.24 H new ATOM 740 N GLN A 47 -10.621 -5.634 5.171 1.00 10.34 N ATOM 741 CA GLN A 47 -10.501 -6.411 6.399 1.00 5.45 C ATOM 742 C GLN A 47 -11.862 -6.598 7.061 1.00 61.12 C ATOM 743 O GLN A 47 -11.970 -6.623 8.286 1.00 61.30 O ATOM 744 CB GLN A 47 -9.539 -5.723 7.370 1.00 20.24 C ATOM 745 CG GLN A 47 -8.555 -6.676 8.030 1.00 73.44 C ATOM 746 CD GLN A 47 -7.952 -6.107 9.299 1.00 71.14 C ATOM 747 OE1 GLN A 47 -8.252 -4.979 9.691 1.00 73.14 O ATOM 748 NE2 GLN A 47 -7.096 -6.887 9.949 1.00 40.51 N ATOM 0 H GLN A 47 -10.243 -6.093 4.342 1.00 10.34 H new ATOM 0 HA GLN A 47 -10.106 -7.393 6.140 1.00 5.45 H new ATOM 0 HB2 GLN A 47 -8.983 -4.954 6.834 1.00 20.24 H new ATOM 0 HB3 GLN A 47 -10.117 -5.217 8.144 1.00 20.24 H new ATOM 0 HG2 GLN A 47 -9.062 -7.613 8.262 1.00 73.44 H new ATOM 0 HG3 GLN A 47 -7.756 -6.912 7.327 1.00 73.44 H new ATOM 0 HE21 GLN A 47 -6.876 -7.815 9.588 1.00 40.51 H new ATOM 0 HE22 GLN A 47 -6.658 -6.558 10.809 1.00 40.51 H new ATOM 757 N GLY A 48 -12.900 -6.729 6.240 1.00 31.03 N ATOM 758 CA GLY A 48 -14.241 -6.912 6.764 1.00 31.01 C ATOM 759 C GLY A 48 -14.873 -5.608 7.208 1.00 11.31 C ATOM 760 O GLY A 48 -15.975 -5.598 7.757 1.00 52.12 O ATOM 0 H GLY A 48 -12.836 -6.712 5.222 1.00 31.03 H new ATOM 0 HA2 GLY A 48 -14.866 -7.374 6.000 1.00 31.01 H new ATOM 0 HA3 GLY A 48 -14.207 -7.601 7.608 1.00 31.01 H new ATOM 764 N LYS A 49 -14.174 -4.503 6.972 1.00 3.14 N ATOM 765 CA LYS A 49 -14.672 -3.186 7.352 1.00 63.04 C ATOM 766 C LYS A 49 -15.073 -2.381 6.120 1.00 14.20 C ATOM 767 O LYS A 49 -14.683 -2.708 5.000 1.00 42.22 O ATOM 768 CB LYS A 49 -13.608 -2.425 8.147 1.00 71.43 C ATOM 769 CG LYS A 49 -14.016 -2.130 9.580 1.00 65.02 C ATOM 770 CD LYS A 49 -14.303 -3.407 10.352 1.00 4.44 C ATOM 771 CE LYS A 49 -13.052 -4.259 10.504 1.00 34.41 C ATOM 772 NZ LYS A 49 -13.253 -5.369 11.477 1.00 65.13 N ATOM 0 H LYS A 49 -13.260 -4.493 6.519 1.00 3.14 H new ATOM 0 HA LYS A 49 -15.554 -3.325 7.978 1.00 63.04 H new ATOM 0 HB2 LYS A 49 -12.686 -3.006 8.153 1.00 71.43 H new ATOM 0 HB3 LYS A 49 -13.390 -1.485 7.639 1.00 71.43 H new ATOM 0 HG2 LYS A 49 -13.222 -1.573 10.078 1.00 65.02 H new ATOM 0 HG3 LYS A 49 -14.902 -1.495 9.584 1.00 65.02 H new ATOM 0 HD2 LYS A 49 -14.696 -3.157 11.337 1.00 4.44 H new ATOM 0 HD3 LYS A 49 -15.074 -3.980 9.837 1.00 4.44 H new ATOM 0 HE2 LYS A 49 -12.773 -4.672 9.534 1.00 34.41 H new ATOM 0 HE3 LYS A 49 -12.223 -3.632 10.834 1.00 34.41 H new ATOM 0 HZ1 LYS A 49 -12.378 -5.927 11.553 1.00 65.13 H new ATOM 0 HZ2 LYS A 49 -13.494 -4.975 12.409 1.00 65.13 H new ATOM 0 HZ3 LYS A 49 -14.027 -5.982 11.150 1.00 65.13 H new ATOM 786 N GLN A 50 -15.854 -1.327 6.336 1.00 10.03 N ATOM 787 CA GLN A 50 -16.307 -0.475 5.243 1.00 70.31 C ATOM 788 C GLN A 50 -15.815 0.956 5.428 1.00 1.31 C ATOM 789 O GLN A 50 -15.437 1.356 6.530 1.00 12.51 O ATOM 790 CB GLN A 50 -17.834 -0.495 5.152 1.00 1.43 C ATOM 791 CG GLN A 50 -18.430 -1.891 5.231 1.00 54.41 C ATOM 792 CD GLN A 50 -19.909 -1.913 4.899 1.00 15.21 C ATOM 793 OE1 GLN A 50 -20.738 -2.287 5.730 1.00 53.45 O ATOM 794 NE2 GLN A 50 -20.249 -1.511 3.680 1.00 70.22 N ATOM 0 H GLN A 50 -16.186 -1.043 7.258 1.00 10.03 H new ATOM 0 HA GLN A 50 -15.890 -0.865 4.315 1.00 70.31 H new ATOM 0 HB2 GLN A 50 -18.246 0.113 5.958 1.00 1.43 H new ATOM 0 HB3 GLN A 50 -18.140 -0.031 4.214 1.00 1.43 H new ATOM 0 HG2 GLN A 50 -17.897 -2.549 4.544 1.00 54.41 H new ATOM 0 HG3 GLN A 50 -18.281 -2.290 6.234 1.00 54.41 H new ATOM 0 HE21 GLN A 50 -19.529 -1.209 3.023 1.00 70.22 H new ATOM 0 HE22 GLN A 50 -21.230 -1.504 3.400 1.00 70.22 H new ATOM 803 N LEU A 51 -15.821 1.724 4.344 1.00 72.43 N ATOM 804 CA LEU A 51 -15.375 3.112 4.386 1.00 21.22 C ATOM 805 C LEU A 51 -13.898 3.198 4.758 1.00 32.12 C ATOM 806 O LEU A 51 -13.537 3.092 5.930 1.00 63.54 O ATOM 807 CB LEU A 51 -16.213 3.907 5.389 1.00 25.12 C ATOM 808 CG LEU A 51 -17.705 3.576 5.429 1.00 41.22 C ATOM 809 CD1 LEU A 51 -18.381 4.295 6.586 1.00 44.51 C ATOM 810 CD2 LEU A 51 -18.368 3.944 4.109 1.00 1.35 C ATOM 0 H LEU A 51 -16.130 1.409 3.425 1.00 72.43 H new ATOM 0 HA LEU A 51 -15.506 3.541 3.392 1.00 21.22 H new ATOM 0 HB2 LEU A 51 -15.799 3.748 6.385 1.00 25.12 H new ATOM 0 HB3 LEU A 51 -16.103 4.968 5.164 1.00 25.12 H new ATOM 0 HG LEU A 51 -17.816 2.502 5.582 1.00 41.22 H new ATOM 0 HD11 LEU A 51 -19.442 4.047 6.598 1.00 44.51 H new ATOM 0 HD12 LEU A 51 -17.925 3.982 7.525 1.00 44.51 H new ATOM 0 HD13 LEU A 51 -18.261 5.372 6.465 1.00 44.51 H new ATOM 0 HD21 LEU A 51 -19.430 3.702 4.155 1.00 1.35 H new ATOM 0 HD22 LEU A 51 -18.247 5.012 3.926 1.00 1.35 H new ATOM 0 HD23 LEU A 51 -17.903 3.382 3.299 1.00 1.35 H new ATOM 822 N GLU A 52 -13.050 3.393 3.753 1.00 13.41 N ATOM 823 CA GLU A 52 -11.613 3.495 3.976 1.00 1.31 C ATOM 824 C GLU A 52 -11.061 4.789 3.385 1.00 50.42 C ATOM 825 O GLU A 52 -9.867 5.072 3.488 1.00 32.02 O ATOM 826 CB GLU A 52 -10.893 2.293 3.362 1.00 44.22 C ATOM 827 CG GLU A 52 -11.341 0.958 3.933 1.00 45.32 C ATOM 828 CD GLU A 52 -11.519 0.998 5.438 1.00 23.11 C ATOM 829 OE1 GLU A 52 -10.579 1.433 6.136 1.00 32.00 O ATOM 830 OE2 GLU A 52 -12.599 0.594 5.918 1.00 64.41 O ATOM 0 H GLU A 52 -13.333 3.483 2.777 1.00 13.41 H new ATOM 0 HA GLU A 52 -11.438 3.504 5.052 1.00 1.31 H new ATOM 0 HB2 GLU A 52 -11.059 2.292 2.285 1.00 44.22 H new ATOM 0 HB3 GLU A 52 -9.820 2.404 3.519 1.00 44.22 H new ATOM 0 HG2 GLU A 52 -12.282 0.665 3.467 1.00 45.32 H new ATOM 0 HG3 GLU A 52 -10.607 0.193 3.678 1.00 45.32 H new ATOM 837 N ASP A 53 -11.938 5.571 2.765 1.00 74.21 N ATOM 838 CA ASP A 53 -11.540 6.835 2.157 1.00 14.21 C ATOM 839 C ASP A 53 -10.809 7.716 3.165 1.00 12.42 C ATOM 840 O ASP A 53 -9.819 8.366 2.832 1.00 51.33 O ATOM 841 CB ASP A 53 -12.765 7.571 1.612 1.00 52.23 C ATOM 842 CG ASP A 53 -12.504 8.207 0.260 1.00 13.03 C ATOM 843 OD1 ASP A 53 -12.735 7.534 -0.767 1.00 4.43 O ATOM 844 OD2 ASP A 53 -12.071 9.377 0.230 1.00 45.44 O ATOM 0 H ASP A 53 -12.930 5.352 2.670 1.00 74.21 H new ATOM 0 HA ASP A 53 -10.861 6.616 1.333 1.00 14.21 H new ATOM 0 HB2 ASP A 53 -13.597 6.872 1.527 1.00 52.23 H new ATOM 0 HB3 ASP A 53 -13.067 8.342 2.321 1.00 52.23 H new ATOM 849 N GLU A 54 -11.305 7.733 4.398 1.00 13.14 N ATOM 850 CA GLU A 54 -10.699 8.536 5.454 1.00 55.31 C ATOM 851 C GLU A 54 -9.319 7.999 5.822 1.00 15.13 C ATOM 852 O GLU A 54 -8.488 8.718 6.377 1.00 50.33 O ATOM 853 CB GLU A 54 -11.599 8.554 6.692 1.00 41.33 C ATOM 854 CG GLU A 54 -11.961 9.953 7.160 1.00 15.43 C ATOM 855 CD GLU A 54 -11.295 10.321 8.472 1.00 64.52 C ATOM 856 OE1 GLU A 54 -10.055 10.473 8.486 1.00 73.14 O ATOM 857 OE2 GLU A 54 -12.013 10.456 9.484 1.00 20.34 O ATOM 0 H GLU A 54 -12.124 7.200 4.690 1.00 13.14 H new ATOM 0 HA GLU A 54 -10.586 9.554 5.081 1.00 55.31 H new ATOM 0 HB2 GLU A 54 -12.515 8.005 6.473 1.00 41.33 H new ATOM 0 HB3 GLU A 54 -11.097 8.027 7.503 1.00 41.33 H new ATOM 0 HG2 GLU A 54 -11.672 10.674 6.395 1.00 15.43 H new ATOM 0 HG3 GLU A 54 -13.043 10.025 7.273 1.00 15.43 H new ATOM 864 N LYS A 55 -9.083 6.729 5.511 1.00 41.33 N ATOM 865 CA LYS A 55 -7.805 6.094 5.807 1.00 23.42 C ATOM 866 C LYS A 55 -6.894 6.106 4.584 1.00 50.24 C ATOM 867 O LYS A 55 -6.183 5.137 4.318 1.00 45.32 O ATOM 868 CB LYS A 55 -8.025 4.654 6.278 1.00 43.04 C ATOM 869 CG LYS A 55 -8.400 4.544 7.745 1.00 4.34 C ATOM 870 CD LYS A 55 -9.874 4.838 7.968 1.00 43.32 C ATOM 871 CE LYS A 55 -10.498 3.851 8.941 1.00 33.34 C ATOM 872 NZ LYS A 55 -11.462 4.514 9.862 1.00 13.04 N ATOM 0 H LYS A 55 -9.761 6.119 5.054 1.00 41.33 H new ATOM 0 HA LYS A 55 -7.322 6.661 6.603 1.00 23.42 H new ATOM 0 HB2 LYS A 55 -8.812 4.200 5.676 1.00 43.04 H new ATOM 0 HB3 LYS A 55 -7.116 4.080 6.100 1.00 43.04 H new ATOM 0 HG2 LYS A 55 -8.169 3.542 8.106 1.00 4.34 H new ATOM 0 HG3 LYS A 55 -7.797 5.240 8.329 1.00 4.34 H new ATOM 0 HD2 LYS A 55 -9.990 5.852 8.352 1.00 43.32 H new ATOM 0 HD3 LYS A 55 -10.403 4.795 7.016 1.00 43.32 H new ATOM 0 HE2 LYS A 55 -11.009 3.066 8.384 1.00 33.34 H new ATOM 0 HE3 LYS A 55 -9.713 3.369 9.523 1.00 33.34 H new ATOM 0 HZ1 LYS A 55 -11.866 3.807 10.510 1.00 13.04 H new ATOM 0 HZ2 LYS A 55 -10.969 5.246 10.412 1.00 13.04 H new ATOM 0 HZ3 LYS A 55 -12.226 4.952 9.308 1.00 13.04 H new ATOM 886 N ARG A 56 -6.920 7.210 3.843 1.00 33.44 N ATOM 887 CA ARG A 56 -6.097 7.348 2.648 1.00 22.23 C ATOM 888 C ARG A 56 -4.651 6.954 2.936 1.00 2.21 C ATOM 889 O ARG A 56 -4.225 5.842 2.623 1.00 21.42 O ATOM 890 CB ARG A 56 -6.151 8.786 2.129 1.00 74.42 C ATOM 891 CG ARG A 56 -6.323 9.823 3.226 1.00 50.52 C ATOM 892 CD ARG A 56 -7.754 10.333 3.292 1.00 74.30 C ATOM 893 NE ARG A 56 -7.814 11.764 3.576 1.00 44.01 N ATOM 894 CZ ARG A 56 -8.877 12.519 3.326 1.00 52.52 C ATOM 895 NH1 ARG A 56 -9.965 11.983 2.790 1.00 64.41 N ATOM 896 NH2 ARG A 56 -8.855 13.815 3.612 1.00 24.13 N ATOM 0 H ARG A 56 -7.502 8.021 4.050 1.00 33.44 H new ATOM 0 HA ARG A 56 -6.493 6.678 1.885 1.00 22.23 H new ATOM 0 HB2 ARG A 56 -5.234 9.000 1.579 1.00 74.42 H new ATOM 0 HB3 ARG A 56 -6.975 8.877 1.422 1.00 74.42 H new ATOM 0 HG2 ARG A 56 -6.046 9.388 4.186 1.00 50.52 H new ATOM 0 HG3 ARG A 56 -5.646 10.658 3.048 1.00 50.52 H new ATOM 0 HD2 ARG A 56 -8.255 10.130 2.345 1.00 74.30 H new ATOM 0 HD3 ARG A 56 -8.298 9.788 4.063 1.00 74.30 H new ATOM 0 HE ARG A 56 -6.994 12.208 3.989 1.00 44.01 H new ATOM 0 HH11 ARG A 56 -9.987 10.988 2.568 1.00 64.41 H new ATOM 0 HH12 ARG A 56 -10.780 12.566 2.599 1.00 64.41 H new ATOM 0 HH21 ARG A 56 -8.021 14.232 4.024 1.00 24.13 H new ATOM 0 HH22 ARG A 56 -9.673 14.394 3.419 1.00 24.13 H new ATOM 910 N LEU A 57 -3.901 7.874 3.533 1.00 24.30 N ATOM 911 CA LEU A 57 -2.502 7.624 3.863 1.00 62.51 C ATOM 912 C LEU A 57 -2.373 6.462 4.843 1.00 63.32 C ATOM 913 O LEU A 57 -1.420 5.685 4.780 1.00 62.44 O ATOM 914 CB LEU A 57 -1.865 8.881 4.458 1.00 20.40 C ATOM 915 CG LEU A 57 -0.344 8.983 4.340 1.00 61.30 C ATOM 916 CD1 LEU A 57 0.107 10.428 4.482 1.00 13.31 C ATOM 917 CD2 LEU A 57 0.332 8.106 5.384 1.00 1.33 C ATOM 0 H LEU A 57 -4.238 8.799 3.798 1.00 24.30 H new ATOM 0 HA LEU A 57 -1.979 7.360 2.944 1.00 62.51 H new ATOM 0 HB2 LEU A 57 -2.306 9.752 3.973 1.00 20.40 H new ATOM 0 HB3 LEU A 57 -2.132 8.934 5.513 1.00 20.40 H new ATOM 0 HG LEU A 57 -0.051 8.628 3.352 1.00 61.30 H new ATOM 0 HD11 LEU A 57 1.192 10.481 4.395 1.00 13.31 H new ATOM 0 HD12 LEU A 57 -0.349 11.030 3.697 1.00 13.31 H new ATOM 0 HD13 LEU A 57 -0.198 10.810 5.456 1.00 13.31 H new ATOM 0 HD21 LEU A 57 1.414 8.191 5.285 1.00 1.33 H new ATOM 0 HD22 LEU A 57 0.032 8.430 6.381 1.00 1.33 H new ATOM 0 HD23 LEU A 57 0.035 7.068 5.235 1.00 1.33 H new ATOM 929 N LYS A 58 -3.339 6.348 5.748 1.00 71.55 N ATOM 930 CA LYS A 58 -3.337 5.279 6.739 1.00 21.33 C ATOM 931 C LYS A 58 -3.317 3.911 6.065 1.00 63.30 C ATOM 932 O LYS A 58 -2.834 2.933 6.637 1.00 11.21 O ATOM 933 CB LYS A 58 -4.564 5.394 7.646 1.00 12.12 C ATOM 934 CG LYS A 58 -4.221 5.633 9.106 1.00 12.05 C ATOM 935 CD LYS A 58 -4.583 4.434 9.968 1.00 45.35 C ATOM 936 CE LYS A 58 -4.243 4.676 11.430 1.00 5.12 C ATOM 937 NZ LYS A 58 -4.552 3.489 12.275 1.00 11.40 N ATOM 0 H LYS A 58 -4.134 6.984 5.815 1.00 71.55 H new ATOM 0 HA LYS A 58 -2.435 5.380 7.343 1.00 21.33 H new ATOM 0 HB2 LYS A 58 -5.193 6.211 7.291 1.00 12.12 H new ATOM 0 HB3 LYS A 58 -5.152 4.480 7.565 1.00 12.12 H new ATOM 0 HG2 LYS A 58 -3.155 5.842 9.201 1.00 12.05 H new ATOM 0 HG3 LYS A 58 -4.752 6.514 9.466 1.00 12.05 H new ATOM 0 HD2 LYS A 58 -5.648 4.223 9.871 1.00 45.35 H new ATOM 0 HD3 LYS A 58 -4.050 3.553 9.610 1.00 45.35 H new ATOM 0 HE2 LYS A 58 -3.185 4.921 11.521 1.00 5.12 H new ATOM 0 HE3 LYS A 58 -4.802 5.537 11.795 1.00 5.12 H new ATOM 0 HZ1 LYS A 58 -4.306 3.694 13.265 1.00 11.40 H new ATOM 0 HZ2 LYS A 58 -5.567 3.270 12.208 1.00 11.40 H new ATOM 0 HZ3 LYS A 58 -3.999 2.673 11.943 1.00 11.40 H new ATOM 951 N ASP A 59 -3.842 3.849 4.846 1.00 11.24 N ATOM 952 CA ASP A 59 -3.882 2.601 4.093 1.00 1.21 C ATOM 953 C ASP A 59 -2.551 2.347 3.391 1.00 14.34 C ATOM 954 O ASP A 59 -2.282 1.237 2.931 1.00 14.35 O ATOM 955 CB ASP A 59 -5.015 2.636 3.067 1.00 55.02 C ATOM 956 CG ASP A 59 -6.278 1.968 3.575 1.00 24.44 C ATOM 957 OD1 ASP A 59 -6.540 2.045 4.794 1.00 41.14 O ATOM 958 OD2 ASP A 59 -7.003 1.366 2.755 1.00 3.22 O ATOM 0 H ASP A 59 -4.246 4.649 4.358 1.00 11.24 H new ATOM 0 HA ASP A 59 -4.063 1.787 4.795 1.00 1.21 H new ATOM 0 HB2 ASP A 59 -5.234 3.672 2.808 1.00 55.02 H new ATOM 0 HB3 ASP A 59 -4.688 2.141 2.153 1.00 55.02 H new ATOM 963 N TYR A 60 -1.723 3.383 3.312 1.00 74.00 N ATOM 964 CA TYR A 60 -0.422 3.273 2.663 1.00 13.31 C ATOM 965 C TYR A 60 0.564 2.514 3.545 1.00 21.02 C ATOM 966 O TYR A 60 1.592 2.031 3.071 1.00 1.42 O ATOM 967 CB TYR A 60 0.129 4.663 2.341 1.00 3.24 C ATOM 968 CG TYR A 60 1.464 4.635 1.631 1.00 11.52 C ATOM 969 CD1 TYR A 60 1.589 4.070 0.368 1.00 51.41 C ATOM 970 CD2 TYR A 60 2.600 5.173 2.223 1.00 12.25 C ATOM 971 CE1 TYR A 60 2.806 4.042 -0.285 1.00 3.24 C ATOM 972 CE2 TYR A 60 3.821 5.151 1.578 1.00 72.32 C ATOM 973 CZ TYR A 60 3.919 4.584 0.324 1.00 21.02 C ATOM 974 OH TYR A 60 5.134 4.558 -0.322 1.00 11.33 O ATOM 0 H TYR A 60 -1.930 4.308 3.689 1.00 74.00 H new ATOM 0 HA TYR A 60 -0.553 2.717 1.735 1.00 13.31 H new ATOM 0 HB2 TYR A 60 -0.592 5.196 1.721 1.00 3.24 H new ATOM 0 HB3 TYR A 60 0.231 5.228 3.268 1.00 3.24 H new ATOM 0 HD1 TYR A 60 0.720 3.645 -0.112 1.00 51.41 H new ATOM 0 HD2 TYR A 60 2.527 5.616 3.205 1.00 12.25 H new ATOM 0 HE1 TYR A 60 2.886 3.598 -1.266 1.00 3.24 H new ATOM 0 HE2 TYR A 60 4.694 5.575 2.052 1.00 72.32 H new ATOM 0 HH TYR A 60 5.814 4.981 0.243 1.00 11.33 H new ATOM 984 N GLN A 61 0.242 2.413 4.831 1.00 73.24 N ATOM 985 CA GLN A 61 1.099 1.712 5.780 1.00 51.52 C ATOM 986 C GLN A 61 0.838 0.210 5.743 1.00 1.22 C ATOM 987 O GLN A 61 1.444 -0.553 6.495 1.00 14.11 O ATOM 988 CB GLN A 61 0.872 2.247 7.195 1.00 41.11 C ATOM 989 CG GLN A 61 2.126 2.819 7.837 1.00 34.25 C ATOM 990 CD GLN A 61 2.590 2.009 9.032 1.00 64.02 C ATOM 991 OE1 GLN A 61 3.355 1.054 8.889 1.00 1.45 O ATOM 992 NE2 GLN A 61 2.130 2.387 10.219 1.00 62.43 N ATOM 0 H GLN A 61 -0.605 2.807 5.239 1.00 73.24 H new ATOM 0 HA GLN A 61 2.136 1.889 5.494 1.00 51.52 H new ATOM 0 HB2 GLN A 61 0.105 3.021 7.163 1.00 41.11 H new ATOM 0 HB3 GLN A 61 0.488 1.442 7.822 1.00 41.11 H new ATOM 0 HG2 GLN A 61 2.924 2.857 7.096 1.00 34.25 H new ATOM 0 HG3 GLN A 61 1.934 3.845 8.151 1.00 34.25 H new ATOM 0 HE21 GLN A 61 1.498 3.184 10.291 1.00 62.43 H new ATOM 0 HE22 GLN A 61 2.409 1.880 11.059 1.00 62.43 H new ATOM 1001 N MET A 62 -0.067 -0.207 4.864 1.00 11.11 N ATOM 1002 CA MET A 62 -0.407 -1.619 4.729 1.00 11.35 C ATOM 1003 C MET A 62 0.522 -2.309 3.736 1.00 31.20 C ATOM 1004 O MET A 62 1.339 -3.148 4.116 1.00 42.33 O ATOM 1005 CB MET A 62 -1.861 -1.774 4.279 1.00 21.43 C ATOM 1006 CG MET A 62 -2.829 -0.875 5.030 1.00 53.20 C ATOM 1007 SD MET A 62 -2.953 -1.294 6.779 1.00 2.03 S ATOM 1008 CE MET A 62 -3.775 -2.882 6.690 1.00 75.44 C ATOM 0 H MET A 62 -0.578 0.412 4.235 1.00 11.11 H new ATOM 0 HA MET A 62 -0.284 -2.092 5.703 1.00 11.35 H new ATOM 0 HB2 MET A 62 -1.928 -1.556 3.213 1.00 21.43 H new ATOM 0 HB3 MET A 62 -2.165 -2.812 4.412 1.00 21.43 H new ATOM 0 HG2 MET A 62 -2.507 0.162 4.931 1.00 53.20 H new ATOM 0 HG3 MET A 62 -3.816 -0.948 4.572 1.00 53.20 H new ATOM 0 HE1 MET A 62 -4.191 -3.132 7.666 1.00 75.44 H new ATOM 0 HE2 MET A 62 -4.578 -2.835 5.955 1.00 75.44 H new ATOM 0 HE3 MET A 62 -3.057 -3.647 6.395 1.00 75.44 H new ATOM 1018 N SER A 63 0.390 -1.952 2.463 1.00 44.44 N ATOM 1019 CA SER A 63 1.216 -2.540 1.414 1.00 35.32 C ATOM 1020 C SER A 63 1.068 -4.059 1.395 1.00 1.32 C ATOM 1021 O SER A 63 1.963 -4.774 0.946 1.00 33.51 O ATOM 1022 CB SER A 63 2.684 -2.162 1.618 1.00 13.44 C ATOM 1023 OG SER A 63 2.814 -0.795 1.972 1.00 74.42 O ATOM 0 H SER A 63 -0.281 -1.258 2.132 1.00 44.44 H new ATOM 0 HA SER A 63 0.878 -2.146 0.456 1.00 35.32 H new ATOM 0 HB2 SER A 63 3.118 -2.786 2.399 1.00 13.44 H new ATOM 0 HB3 SER A 63 3.244 -2.359 0.704 1.00 13.44 H new ATOM 0 HG SER A 63 3.761 -0.579 2.099 1.00 74.42 H new ATOM 1029 N ALA A 64 -0.068 -4.543 1.886 1.00 11.33 N ATOM 1030 CA ALA A 64 -0.335 -5.975 1.924 1.00 21.24 C ATOM 1031 C ALA A 64 -1.733 -6.259 2.462 1.00 13.03 C ATOM 1032 O ALA A 64 -1.914 -7.113 3.330 1.00 41.44 O ATOM 1033 CB ALA A 64 0.712 -6.685 2.770 1.00 1.31 C ATOM 0 H ALA A 64 -0.818 -3.964 2.263 1.00 11.33 H new ATOM 0 HA ALA A 64 -0.282 -6.356 0.904 1.00 21.24 H new ATOM 0 HB1 ALA A 64 0.500 -7.754 2.790 1.00 1.31 H new ATOM 0 HB2 ALA A 64 1.700 -6.519 2.341 1.00 1.31 H new ATOM 0 HB3 ALA A 64 0.687 -6.291 3.786 1.00 1.31 H new ATOM 1039 N GLY A 65 -2.721 -5.536 1.942 1.00 63.42 N ATOM 1040 CA GLY A 65 -4.090 -5.725 2.383 1.00 73.21 C ATOM 1041 C GLY A 65 -5.030 -6.045 1.237 1.00 43.10 C ATOM 1042 O GLY A 65 -5.215 -5.231 0.332 1.00 33.44 O ATOM 0 H GLY A 65 -2.597 -4.823 1.223 1.00 63.42 H new ATOM 0 HA2 GLY A 65 -4.125 -6.533 3.114 1.00 73.21 H new ATOM 0 HA3 GLY A 65 -4.433 -4.823 2.889 1.00 73.21 H new ATOM 1046 N ALA A 66 -5.623 -7.234 1.274 1.00 45.31 N ATOM 1047 CA ALA A 66 -6.548 -7.659 0.231 1.00 43.22 C ATOM 1048 C ALA A 66 -7.767 -6.745 0.173 1.00 71.10 C ATOM 1049 O ALA A 66 -8.336 -6.384 1.204 1.00 21.41 O ATOM 1050 CB ALA A 66 -6.976 -9.100 0.461 1.00 74.40 C ATOM 0 H ALA A 66 -5.479 -7.920 2.015 1.00 45.31 H new ATOM 0 HA ALA A 66 -6.032 -7.594 -0.727 1.00 43.22 H new ATOM 0 HB1 ALA A 66 -7.667 -9.404 -0.325 1.00 74.40 H new ATOM 0 HB2 ALA A 66 -6.099 -9.747 0.444 1.00 74.40 H new ATOM 0 HB3 ALA A 66 -7.469 -9.183 1.429 1.00 74.40 H new ATOM 1056 N THR A 67 -8.165 -6.372 -1.040 1.00 23.33 N ATOM 1057 CA THR A 67 -9.316 -5.499 -1.232 1.00 5.01 C ATOM 1058 C THR A 67 -10.353 -6.148 -2.141 1.00 22.32 C ATOM 1059 O THR A 67 -10.008 -6.795 -3.130 1.00 51.22 O ATOM 1060 CB THR A 67 -8.898 -4.144 -1.834 1.00 72.01 C ATOM 1061 OG1 THR A 67 -7.481 -4.113 -2.035 1.00 3.11 O ATOM 1062 CG2 THR A 67 -9.312 -2.997 -0.924 1.00 61.14 C ATOM 0 H THR A 67 -7.707 -6.661 -1.904 1.00 23.33 H new ATOM 0 HA THR A 67 -9.754 -5.332 -0.248 1.00 5.01 H new ATOM 0 HB THR A 67 -9.403 -4.026 -2.793 1.00 72.01 H new ATOM 0 HG1 THR A 67 -7.210 -4.885 -2.574 1.00 3.11 H new ATOM 0 HG21 THR A 67 -9.006 -2.050 -1.370 1.00 61.14 H new ATOM 0 HG22 THR A 67 -10.395 -3.006 -0.797 1.00 61.14 H new ATOM 0 HG23 THR A 67 -8.832 -3.112 0.048 1.00 61.14 H new ATOM 1070 N PHE A 68 -11.625 -5.972 -1.800 1.00 0.33 N ATOM 1071 CA PHE A 68 -12.713 -6.541 -2.586 1.00 33.24 C ATOM 1072 C PHE A 68 -13.769 -5.485 -2.898 1.00 14.13 C ATOM 1073 O PHE A 68 -14.454 -4.992 -2.001 1.00 53.40 O ATOM 1074 CB PHE A 68 -13.353 -7.712 -1.837 1.00 21.41 C ATOM 1075 CG PHE A 68 -14.652 -8.169 -2.436 1.00 71.23 C ATOM 1076 CD1 PHE A 68 -15.850 -7.586 -2.054 1.00 24.50 C ATOM 1077 CD2 PHE A 68 -14.676 -9.182 -3.382 1.00 1.13 C ATOM 1078 CE1 PHE A 68 -17.047 -8.004 -2.604 1.00 21.32 C ATOM 1079 CE2 PHE A 68 -15.870 -9.604 -3.935 1.00 50.52 C ATOM 1080 CZ PHE A 68 -17.057 -9.015 -3.545 1.00 11.10 C ATOM 0 H PHE A 68 -11.928 -5.440 -0.984 1.00 0.33 H new ATOM 0 HA PHE A 68 -12.298 -6.903 -3.526 1.00 33.24 H new ATOM 0 HB2 PHE A 68 -12.655 -8.549 -1.823 1.00 21.41 H new ATOM 0 HB3 PHE A 68 -13.523 -7.421 -0.800 1.00 21.41 H new ATOM 0 HD1 PHE A 68 -15.848 -6.796 -1.318 1.00 24.50 H new ATOM 0 HD2 PHE A 68 -13.751 -9.647 -3.690 1.00 1.13 H new ATOM 0 HE1 PHE A 68 -17.973 -7.541 -2.298 1.00 21.32 H new ATOM 0 HE2 PHE A 68 -15.875 -10.394 -4.672 1.00 50.52 H new ATOM 0 HZ PHE A 68 -17.991 -9.344 -3.975 1.00 11.10 H new ATOM 1090 N HIS A 69 -13.895 -5.142 -4.176 1.00 10.12 N ATOM 1091 CA HIS A 69 -14.867 -4.144 -4.608 1.00 34.05 C ATOM 1092 C HIS A 69 -16.206 -4.797 -4.937 1.00 73.11 C ATOM 1093 O HIS A 69 -16.253 -5.917 -5.446 1.00 2.32 O ATOM 1094 CB HIS A 69 -14.343 -3.385 -5.827 1.00 14.43 C ATOM 1095 CG HIS A 69 -13.127 -2.559 -5.541 1.00 12.45 C ATOM 1096 ND1 HIS A 69 -12.950 -1.284 -6.036 1.00 5.03 N ATOM 1097 CD2 HIS A 69 -12.025 -2.831 -4.804 1.00 21.52 C ATOM 1098 CE1 HIS A 69 -11.790 -0.809 -5.617 1.00 61.24 C ATOM 1099 NE2 HIS A 69 -11.209 -1.729 -4.868 1.00 13.44 N ATOM 0 H HIS A 69 -13.336 -5.540 -4.931 1.00 10.12 H new ATOM 0 HA HIS A 69 -15.017 -3.441 -3.789 1.00 34.05 H new ATOM 0 HB2 HIS A 69 -14.109 -4.099 -6.617 1.00 14.43 H new ATOM 0 HB3 HIS A 69 -15.132 -2.736 -6.207 1.00 14.43 H new ATOM 0 HD1 HIS A 69 -13.611 -0.786 -6.632 1.00 5.03 H new ATOM 0 HD2 HIS A 69 -11.825 -3.745 -4.265 1.00 21.52 H new ATOM 0 HE1 HIS A 69 -11.386 0.166 -5.848 1.00 61.24 H new ATOM 1107 N MET A 70 -17.292 -4.090 -4.643 1.00 34.11 N ATOM 1108 CA MET A 70 -18.632 -4.602 -4.909 1.00 0.43 C ATOM 1109 C MET A 70 -19.461 -3.580 -5.681 1.00 2.02 C ATOM 1110 O MET A 70 -19.505 -2.403 -5.323 1.00 5.05 O ATOM 1111 CB MET A 70 -19.334 -4.959 -3.597 1.00 52.13 C ATOM 1112 CG MET A 70 -20.817 -5.250 -3.762 1.00 11.44 C ATOM 1113 SD MET A 70 -21.406 -6.518 -2.624 1.00 34.40 S ATOM 1114 CE MET A 70 -22.234 -5.513 -1.395 1.00 15.23 C ATOM 0 H MET A 70 -17.271 -3.162 -4.221 1.00 34.11 H new ATOM 0 HA MET A 70 -18.537 -5.501 -5.518 1.00 0.43 H new ATOM 0 HB2 MET A 70 -18.847 -5.831 -3.159 1.00 52.13 H new ATOM 0 HB3 MET A 70 -19.209 -4.137 -2.892 1.00 52.13 H new ATOM 0 HG2 MET A 70 -21.383 -4.332 -3.602 1.00 11.44 H new ATOM 0 HG3 MET A 70 -21.009 -5.569 -4.786 1.00 11.44 H new ATOM 0 HE1 MET A 70 -22.652 -6.156 -0.621 1.00 15.23 H new ATOM 0 HE2 MET A 70 -21.519 -4.824 -0.947 1.00 15.23 H new ATOM 0 HE3 MET A 70 -23.036 -4.946 -1.868 1.00 15.23 H new ATOM 1124 N VAL A 71 -20.117 -4.038 -6.743 1.00 2.54 N ATOM 1125 CA VAL A 71 -20.945 -3.163 -7.565 1.00 21.42 C ATOM 1126 C VAL A 71 -22.364 -3.707 -7.688 1.00 42.02 C ATOM 1127 O VAL A 71 -22.595 -4.728 -8.336 1.00 20.00 O ATOM 1128 CB VAL A 71 -20.349 -2.989 -8.974 1.00 52.14 C ATOM 1129 CG1 VAL A 71 -20.053 -4.343 -9.600 1.00 64.23 C ATOM 1130 CG2 VAL A 71 -21.291 -2.181 -9.854 1.00 51.31 C ATOM 0 H VAL A 71 -20.091 -5.009 -7.054 1.00 2.54 H new ATOM 0 HA VAL A 71 -20.973 -2.193 -7.068 1.00 21.42 H new ATOM 0 HB VAL A 71 -19.410 -2.443 -8.887 1.00 52.14 H new ATOM 0 HG11 VAL A 71 -19.632 -4.200 -10.595 1.00 64.23 H new ATOM 0 HG12 VAL A 71 -19.339 -4.883 -8.979 1.00 64.23 H new ATOM 0 HG13 VAL A 71 -20.976 -4.918 -9.675 1.00 64.23 H new ATOM 0 HG21 VAL A 71 -20.854 -2.067 -10.846 1.00 51.31 H new ATOM 0 HG22 VAL A 71 -22.247 -2.699 -9.935 1.00 51.31 H new ATOM 0 HG23 VAL A 71 -21.448 -1.197 -9.412 1.00 51.31 H new ATOM 1140 N VAL A 72 -23.312 -3.017 -7.062 1.00 74.35 N ATOM 1141 CA VAL A 72 -24.710 -3.430 -7.103 1.00 53.42 C ATOM 1142 C VAL A 72 -25.448 -2.757 -8.255 1.00 54.31 C ATOM 1143 O VAL A 72 -25.778 -1.573 -8.188 1.00 4.15 O ATOM 1144 CB VAL A 72 -25.432 -3.099 -5.783 1.00 63.21 C ATOM 1145 CG1 VAL A 72 -26.626 -4.020 -5.582 1.00 41.51 C ATOM 1146 CG2 VAL A 72 -24.468 -3.199 -4.610 1.00 61.04 C ATOM 0 H VAL A 72 -23.138 -2.170 -6.521 1.00 74.35 H new ATOM 0 HA VAL A 72 -24.717 -4.510 -7.252 1.00 53.42 H new ATOM 0 HB VAL A 72 -25.799 -2.074 -5.836 1.00 63.21 H new ATOM 0 HG11 VAL A 72 -27.124 -3.771 -4.645 1.00 41.51 H new ATOM 0 HG12 VAL A 72 -27.325 -3.895 -6.408 1.00 41.51 H new ATOM 0 HG13 VAL A 72 -26.286 -5.055 -5.549 1.00 41.51 H new ATOM 0 HG21 VAL A 72 -24.994 -2.962 -3.685 1.00 61.04 H new ATOM 0 HG22 VAL A 72 -24.070 -4.212 -4.552 1.00 61.04 H new ATOM 0 HG23 VAL A 72 -23.648 -2.495 -4.752 1.00 61.04 H new