USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 507 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 75 THR OG1 : rot 125:sc= 0.0172 USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0.00769 USER MOD Set 2.1: A 43 THR OG1 : rot -173:sc= -0.493 USER MOD Set 2.2: A 71 ASN : amide:sc= -3.44! C(o=-3.9!,f=-8.5!) USER MOD Set 3.1: A 35 CYS SG : rot -84:sc= -20! USER MOD Set 3.2: A 59 CYS SG : rot -41:sc= -20.5! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0796 X(o=-0.08,f=0) USER MOD Single : A 26 THR OG1 : rot 78:sc= 0.254 USER MOD Single : A 27 THR OG1 : rot -117:sc= -0.732 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -100:sc= -1.45! (180deg=-2.54) USER MOD Single : A 34 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.43) USER MOD Single : A 37 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.044) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= -0.271 (180deg=-1.06) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 41:sc= 0.306 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -4.247 8.521 -6.396 1.00 23.43 N ATOM 2 CA GLY A 19 -2.909 7.959 -6.418 1.00 44.31 C ATOM 3 C GLY A 19 -2.787 6.716 -5.559 1.00 41.14 C ATOM 4 O GLY A 19 -2.684 5.597 -6.061 1.00 64.43 O ATOM 0 HA2 GLY A 19 -2.638 7.715 -7.445 1.00 44.31 H new ATOM 0 HA3 GLY A 19 -2.198 8.708 -6.070 1.00 44.31 H new ATOM 8 N PRO A 20 -2.797 6.906 -4.232 1.00 5.14 N ATOM 9 CA PRO A 20 -2.686 5.802 -3.273 1.00 51.32 C ATOM 10 C PRO A 20 -3.932 4.923 -3.255 1.00 51.52 C ATOM 11 O PRO A 20 -3.847 3.715 -3.041 1.00 32.35 O ATOM 12 CB PRO A 20 -2.515 6.515 -1.929 1.00 40.25 C ATOM 13 CG PRO A 20 -3.151 7.848 -2.124 1.00 14.00 C ATOM 14 CD PRO A 20 -2.917 8.213 -3.564 1.00 25.13 C ATOM 0 HA PRO A 20 -1.866 5.128 -3.521 1.00 51.32 H new ATOM 0 HB2 PRO A 20 -2.996 5.961 -1.123 1.00 40.25 H new ATOM 0 HB3 PRO A 20 -1.462 6.614 -1.664 1.00 40.25 H new ATOM 0 HG2 PRO A 20 -4.217 7.808 -1.900 1.00 14.00 H new ATOM 0 HG3 PRO A 20 -2.713 8.591 -1.457 1.00 14.00 H new ATOM 0 HD2 PRO A 20 -3.743 8.797 -3.970 1.00 25.13 H new ATOM 0 HD3 PRO A 20 -2.014 8.811 -3.685 1.00 25.13 H new ATOM 22 N MET A 21 -5.088 5.539 -3.482 1.00 60.22 N ATOM 23 CA MET A 21 -6.352 4.811 -3.494 1.00 25.25 C ATOM 24 C MET A 21 -6.712 4.369 -4.908 1.00 51.44 C ATOM 25 O MET A 21 -7.784 3.812 -5.139 1.00 73.34 O ATOM 26 CB MET A 21 -7.471 5.680 -2.917 1.00 43.11 C ATOM 27 CG MET A 21 -8.753 4.913 -2.636 1.00 64.11 C ATOM 28 SD MET A 21 -9.749 5.676 -1.342 1.00 13.21 S ATOM 29 CE MET A 21 -9.134 4.823 0.107 1.00 25.34 C ATOM 0 H MET A 21 -5.176 6.540 -3.660 1.00 60.22 H new ATOM 0 HA MET A 21 -6.236 3.922 -2.874 1.00 25.25 H new ATOM 0 HB2 MET A 21 -7.122 6.140 -1.992 1.00 43.11 H new ATOM 0 HB3 MET A 21 -7.687 6.490 -3.614 1.00 43.11 H new ATOM 0 HG2 MET A 21 -9.341 4.848 -3.551 1.00 64.11 H new ATOM 0 HG3 MET A 21 -8.505 3.893 -2.344 1.00 64.11 H new ATOM 0 HE1 MET A 21 -9.655 5.187 0.992 1.00 25.34 H new ATOM 0 HE2 MET A 21 -9.306 3.752 -0.001 1.00 25.34 H new ATOM 0 HE3 MET A 21 -8.065 5.010 0.213 1.00 25.34 H new ATOM 39 N GLU A 22 -5.810 4.623 -5.851 1.00 4.50 N ATOM 40 CA GLU A 22 -6.035 4.253 -7.243 1.00 60.31 C ATOM 41 C GLU A 22 -6.001 2.737 -7.415 1.00 22.23 C ATOM 42 O GLU A 22 -5.150 2.057 -6.842 1.00 34.51 O ATOM 43 CB GLU A 22 -4.983 4.903 -8.144 1.00 23.21 C ATOM 44 CG GLU A 22 -5.226 4.675 -9.626 1.00 70.14 C ATOM 45 CD GLU A 22 -4.777 5.846 -10.478 1.00 43.21 C ATOM 46 OE1 GLU A 22 -4.138 5.607 -11.525 1.00 11.44 O ATOM 47 OE2 GLU A 22 -5.063 7.001 -10.099 1.00 31.23 O ATOM 0 H GLU A 22 -4.917 5.083 -5.676 1.00 4.50 H new ATOM 0 HA GLU A 22 -7.022 4.613 -7.532 1.00 60.31 H new ATOM 0 HB2 GLU A 22 -4.962 5.975 -7.949 1.00 23.21 H new ATOM 0 HB3 GLU A 22 -4.000 4.512 -7.881 1.00 23.21 H new ATOM 0 HG2 GLU A 22 -4.697 3.776 -9.943 1.00 70.14 H new ATOM 0 HG3 GLU A 22 -6.288 4.495 -9.793 1.00 70.14 H new ATOM 54 N GLU A 23 -6.932 2.216 -8.207 1.00 74.41 N ATOM 55 CA GLU A 23 -7.010 0.780 -8.453 1.00 4.42 C ATOM 56 C GLU A 23 -5.975 0.349 -9.489 1.00 13.33 C ATOM 57 O GLU A 23 -5.406 -0.738 -9.398 1.00 33.01 O ATOM 58 CB GLU A 23 -8.413 0.396 -8.927 1.00 1.32 C ATOM 59 CG GLU A 23 -8.648 -1.104 -8.979 1.00 52.25 C ATOM 60 CD GLU A 23 -9.878 -1.473 -9.786 1.00 62.52 C ATOM 61 OE1 GLU A 23 -10.680 -2.299 -9.302 1.00 64.32 O ATOM 62 OE2 GLU A 23 -10.038 -0.936 -10.902 1.00 50.02 O ATOM 0 H GLU A 23 -7.643 2.766 -8.689 1.00 74.41 H new ATOM 0 HA GLU A 23 -6.798 0.265 -7.516 1.00 4.42 H new ATOM 0 HB2 GLU A 23 -9.149 0.848 -8.261 1.00 1.32 H new ATOM 0 HB3 GLU A 23 -8.580 0.816 -9.919 1.00 1.32 H new ATOM 0 HG2 GLU A 23 -7.774 -1.590 -9.412 1.00 52.25 H new ATOM 0 HG3 GLU A 23 -8.755 -1.487 -7.964 1.00 52.25 H new ATOM 69 N ALA A 24 -5.738 1.210 -10.473 1.00 51.20 N ATOM 70 CA ALA A 24 -4.772 0.920 -11.525 1.00 51.13 C ATOM 71 C ALA A 24 -3.364 0.787 -10.956 1.00 44.21 C ATOM 72 O ALA A 24 -2.541 0.038 -11.480 1.00 23.31 O ATOM 73 CB ALA A 24 -4.812 2.004 -12.592 1.00 53.21 C ATOM 0 H ALA A 24 -6.202 2.114 -10.563 1.00 51.20 H new ATOM 0 HA ALA A 24 -5.043 -0.033 -11.980 1.00 51.13 H new ATOM 0 HB1 ALA A 24 -4.085 1.774 -13.371 1.00 53.21 H new ATOM 0 HB2 ALA A 24 -5.810 2.049 -13.028 1.00 53.21 H new ATOM 0 HB3 ALA A 24 -4.569 2.967 -12.142 1.00 53.21 H new ATOM 79 N ASN A 25 -3.093 1.520 -9.881 1.00 52.51 N ATOM 80 CA ASN A 25 -1.783 1.485 -9.242 1.00 1.14 C ATOM 81 C ASN A 25 -1.611 0.209 -8.423 1.00 73.03 C ATOM 82 O ASN A 25 -0.490 -0.222 -8.151 1.00 12.55 O ATOM 83 CB ASN A 25 -1.598 2.709 -8.343 1.00 2.41 C ATOM 84 CG ASN A 25 -1.021 3.895 -9.092 1.00 65.32 C ATOM 85 OD1 ASN A 25 0.036 4.415 -8.734 1.00 64.43 O ATOM 86 ND2 ASN A 25 -1.714 4.328 -10.138 1.00 73.14 N ATOM 0 H ASN A 25 -3.763 2.145 -9.434 1.00 52.51 H new ATOM 0 HA ASN A 25 -1.024 1.499 -10.025 1.00 1.14 H new ATOM 0 HB2 ASN A 25 -2.559 2.988 -7.912 1.00 2.41 H new ATOM 0 HB3 ASN A 25 -0.939 2.451 -7.514 1.00 2.41 H new ATOM 0 HD21 ASN A 25 -1.375 5.122 -10.681 1.00 73.14 H new ATOM 0 HD22 ASN A 25 -2.585 3.867 -10.399 1.00 73.14 H new ATOM 93 N THR A 26 -2.731 -0.393 -8.034 1.00 61.21 N ATOM 94 CA THR A 26 -2.705 -1.619 -7.247 1.00 33.41 C ATOM 95 C THR A 26 -2.843 -2.848 -8.138 1.00 61.24 C ATOM 96 O THR A 26 -2.394 -3.939 -7.784 1.00 73.13 O ATOM 97 CB THR A 26 -3.830 -1.635 -6.194 1.00 44.41 C ATOM 98 OG1 THR A 26 -3.852 -0.392 -5.483 1.00 4.02 O ATOM 99 CG2 THR A 26 -3.638 -2.782 -5.214 1.00 61.31 C ATOM 0 H THR A 26 -3.667 -0.051 -8.251 1.00 61.21 H new ATOM 0 HA THR A 26 -1.741 -1.647 -6.739 1.00 33.41 H new ATOM 0 HB THR A 26 -4.780 -1.775 -6.711 1.00 44.41 H new ATOM 0 HG1 THR A 26 -4.290 0.291 -6.032 1.00 4.02 H new ATOM 0 HG21 THR A 26 -4.444 -2.773 -4.480 1.00 61.31 H new ATOM 0 HG22 THR A 26 -3.650 -3.728 -5.755 1.00 61.31 H new ATOM 0 HG23 THR A 26 -2.682 -2.668 -4.704 1.00 61.31 H new ATOM 107 N THR A 27 -3.466 -2.665 -9.299 1.00 22.23 N ATOM 108 CA THR A 27 -3.663 -3.759 -10.241 1.00 62.22 C ATOM 109 C THR A 27 -2.758 -3.606 -11.458 1.00 50.15 C ATOM 110 O THR A 27 -2.549 -2.507 -11.972 1.00 40.31 O ATOM 111 CB THR A 27 -5.128 -3.839 -10.711 1.00 45.12 C ATOM 112 OG1 THR A 27 -5.340 -5.046 -11.451 1.00 24.40 O ATOM 113 CG2 THR A 27 -5.484 -2.639 -11.576 1.00 34.22 C ATOM 0 H THR A 27 -3.842 -1.769 -9.609 1.00 22.23 H new ATOM 0 HA THR A 27 -3.407 -4.679 -9.715 1.00 62.22 H new ATOM 0 HB THR A 27 -5.770 -3.836 -9.830 1.00 45.12 H new ATOM 0 HG1 THR A 27 -5.587 -4.825 -12.373 1.00 24.40 H new ATOM 0 HG21 THR A 27 -6.523 -2.717 -11.896 1.00 34.22 H new ATOM 0 HG22 THR A 27 -5.349 -1.723 -11.001 1.00 34.22 H new ATOM 0 HG23 THR A 27 -4.835 -2.616 -12.452 1.00 34.22 H new ATOM 121 N PRO A 28 -2.208 -4.733 -11.933 1.00 63.15 N ATOM 122 CA PRO A 28 -1.317 -4.750 -13.098 1.00 10.44 C ATOM 123 C PRO A 28 -2.055 -4.446 -14.397 1.00 34.41 C ATOM 124 O PRO A 28 -1.537 -3.747 -15.268 1.00 24.51 O ATOM 125 CB PRO A 28 -0.777 -6.182 -13.111 1.00 53.10 C ATOM 126 CG PRO A 28 -1.819 -6.986 -12.413 1.00 10.25 C ATOM 127 CD PRO A 28 -2.413 -6.078 -11.371 1.00 71.40 C ATOM 0 HA PRO A 28 -0.540 -3.988 -13.028 1.00 10.44 H new ATOM 0 HB2 PRO A 28 -0.620 -6.537 -14.130 1.00 53.10 H new ATOM 0 HB3 PRO A 28 0.183 -6.248 -12.599 1.00 53.10 H new ATOM 0 HG2 PRO A 28 -2.581 -7.329 -13.113 1.00 10.25 H new ATOM 0 HG3 PRO A 28 -1.385 -7.874 -11.955 1.00 10.25 H new ATOM 0 HD2 PRO A 28 -3.470 -6.289 -11.210 1.00 71.40 H new ATOM 0 HD3 PRO A 28 -1.915 -6.191 -10.408 1.00 71.40 H new ATOM 135 N ILE A 29 -3.268 -4.976 -14.520 1.00 41.32 N ATOM 136 CA ILE A 29 -4.077 -4.760 -15.713 1.00 15.31 C ATOM 137 C ILE A 29 -5.351 -3.990 -15.381 1.00 33.02 C ATOM 138 O ILE A 29 -6.091 -4.358 -14.468 1.00 42.30 O ATOM 139 CB ILE A 29 -4.457 -6.093 -16.385 1.00 1.42 C ATOM 140 CG1 ILE A 29 -5.267 -5.835 -17.657 1.00 62.11 C ATOM 141 CG2 ILE A 29 -5.242 -6.968 -15.419 1.00 65.00 C ATOM 142 CD1 ILE A 29 -4.492 -5.101 -18.729 1.00 5.14 C ATOM 0 H ILE A 29 -3.711 -5.557 -13.809 1.00 41.32 H new ATOM 0 HA ILE A 29 -3.470 -4.174 -16.404 1.00 15.31 H new ATOM 0 HB ILE A 29 -3.542 -6.619 -16.660 1.00 1.42 H new ATOM 0 HG12 ILE A 29 -5.612 -6.788 -18.058 1.00 62.11 H new ATOM 0 HG13 ILE A 29 -6.155 -5.257 -17.402 1.00 62.11 H new ATOM 0 HG21 ILE A 29 -5.503 -7.906 -15.908 1.00 65.00 H new ATOM 0 HG22 ILE A 29 -4.633 -7.175 -14.539 1.00 65.00 H new ATOM 0 HG23 ILE A 29 -6.152 -6.450 -15.117 1.00 65.00 H new ATOM 0 HD11 ILE A 29 -5.129 -4.953 -19.601 1.00 5.14 H new ATOM 0 HD12 ILE A 29 -4.170 -4.133 -18.346 1.00 5.14 H new ATOM 0 HD13 ILE A 29 -3.618 -5.688 -19.013 1.00 5.14 H new ATOM 154 N SER A 30 -5.602 -2.921 -16.129 1.00 52.42 N ATOM 155 CA SER A 30 -6.786 -2.097 -15.913 1.00 71.23 C ATOM 156 C SER A 30 -8.044 -2.821 -16.383 1.00 53.14 C ATOM 157 O SER A 30 -8.015 -3.571 -17.359 1.00 30.42 O ATOM 158 CB SER A 30 -6.646 -0.763 -16.649 1.00 75.10 C ATOM 159 OG SER A 30 -6.456 -0.965 -18.039 1.00 2.43 O ATOM 0 H SER A 30 -5.001 -2.605 -16.890 1.00 52.42 H new ATOM 0 HA SER A 30 -6.876 -1.906 -14.844 1.00 71.23 H new ATOM 0 HB2 SER A 30 -7.538 -0.158 -16.485 1.00 75.10 H new ATOM 0 HB3 SER A 30 -5.803 -0.205 -16.241 1.00 75.10 H new ATOM 0 HG SER A 30 -6.371 -0.098 -18.487 1.00 2.43 H new ATOM 165 N VAL A 31 -9.149 -2.590 -15.682 1.00 14.33 N ATOM 166 CA VAL A 31 -10.419 -3.218 -16.026 1.00 52.24 C ATOM 167 C VAL A 31 -10.943 -2.701 -17.362 1.00 32.33 C ATOM 168 O VAL A 31 -10.816 -1.518 -17.675 1.00 52.45 O ATOM 169 CB VAL A 31 -11.482 -2.969 -14.940 1.00 2.15 C ATOM 170 CG1 VAL A 31 -11.119 -3.705 -13.659 1.00 24.10 C ATOM 171 CG2 VAL A 31 -11.640 -1.478 -14.681 1.00 24.23 C ATOM 0 H VAL A 31 -9.190 -1.972 -14.872 1.00 14.33 H new ATOM 0 HA VAL A 31 -10.232 -4.289 -16.101 1.00 52.24 H new ATOM 0 HB VAL A 31 -12.437 -3.356 -15.295 1.00 2.15 H new ATOM 0 HG11 VAL A 31 -11.881 -3.517 -12.903 1.00 24.10 H new ATOM 0 HG12 VAL A 31 -11.061 -4.775 -13.858 1.00 24.10 H new ATOM 0 HG13 VAL A 31 -10.154 -3.351 -13.297 1.00 24.10 H new ATOM 0 HG21 VAL A 31 -12.395 -1.320 -13.911 1.00 24.23 H new ATOM 0 HG22 VAL A 31 -10.689 -1.064 -14.347 1.00 24.23 H new ATOM 0 HG23 VAL A 31 -11.949 -0.980 -15.600 1.00 24.23 H new ATOM 181 N LYS A 32 -11.534 -3.597 -18.146 1.00 22.05 N ATOM 182 CA LYS A 32 -12.080 -3.233 -19.448 1.00 21.24 C ATOM 183 C LYS A 32 -13.069 -2.079 -19.320 1.00 32.25 C ATOM 184 O LYS A 32 -13.796 -1.979 -18.331 1.00 31.21 O ATOM 185 CB LYS A 32 -12.768 -4.440 -20.090 1.00 42.33 C ATOM 186 CG LYS A 32 -12.841 -4.363 -21.605 1.00 44.45 C ATOM 187 CD LYS A 32 -13.075 -5.731 -22.223 1.00 21.01 C ATOM 188 CE LYS A 32 -11.781 -6.524 -22.328 1.00 32.12 C ATOM 189 NZ LYS A 32 -11.734 -7.347 -23.568 1.00 33.32 N1+ ATOM 0 H LYS A 32 -11.647 -4.581 -17.902 1.00 22.05 H new ATOM 0 HA LYS A 32 -11.255 -2.912 -20.084 1.00 21.24 H new ATOM 0 HB2 LYS A 32 -12.233 -5.346 -19.806 1.00 42.33 H new ATOM 0 HB3 LYS A 32 -13.778 -4.527 -19.690 1.00 42.33 H new ATOM 0 HG2 LYS A 32 -13.646 -3.688 -21.897 1.00 44.45 H new ATOM 0 HG3 LYS A 32 -11.914 -3.941 -21.994 1.00 44.45 H new ATOM 0 HD2 LYS A 32 -13.795 -6.285 -21.621 1.00 21.01 H new ATOM 0 HD3 LYS A 32 -13.512 -5.614 -23.214 1.00 21.01 H new ATOM 0 HE2 LYS A 32 -10.933 -5.839 -22.314 1.00 32.12 H new ATOM 0 HE3 LYS A 32 -11.681 -7.173 -21.458 1.00 32.12 H new ATOM 0 HZ1 LYS A 32 -11.981 -8.331 -23.341 1.00 33.32 H new ATOM 0 HZ2 LYS A 32 -12.413 -6.971 -24.260 1.00 33.32 H new ATOM 0 HZ3 LYS A 32 -10.775 -7.315 -23.970 1.00 33.32 H new ATOM 203 N ASP A 33 -13.092 -1.212 -20.325 1.00 53.41 N ATOM 204 CA ASP A 33 -13.995 -0.066 -20.326 1.00 4.11 C ATOM 205 C ASP A 33 -15.213 -0.334 -21.204 1.00 63.22 C ATOM 206 O ASP A 33 -15.229 -1.286 -21.984 1.00 40.12 O ATOM 207 CB ASP A 33 -13.264 1.186 -20.814 1.00 63.45 C ATOM 208 CG ASP A 33 -13.865 2.461 -20.259 1.00 12.45 C ATOM 209 OD1 ASP A 33 -13.674 3.527 -20.881 1.00 35.02 O ATOM 210 OD2 ASP A 33 -14.526 2.394 -19.201 1.00 1.54 O ATOM 0 H ASP A 33 -12.496 -1.280 -21.150 1.00 53.41 H new ATOM 0 HA ASP A 33 -14.336 0.097 -19.304 1.00 4.11 H new ATOM 0 HB2 ASP A 33 -12.215 1.126 -20.524 1.00 63.45 H new ATOM 0 HB3 ASP A 33 -13.293 1.218 -21.903 1.00 63.45 H new ATOM 215 N GLN A 34 -16.230 0.511 -21.070 1.00 71.43 N ATOM 216 CA GLN A 34 -17.453 0.363 -21.851 1.00 22.23 C ATOM 217 C GLN A 34 -17.212 0.721 -23.313 1.00 43.24 C ATOM 218 O GLN A 34 -16.389 1.583 -23.625 1.00 20.20 O ATOM 219 CB GLN A 34 -18.561 1.245 -21.273 1.00 72.33 C ATOM 220 CG GLN A 34 -19.956 0.671 -21.463 1.00 52.33 C ATOM 221 CD GLN A 34 -20.106 -0.711 -20.860 1.00 31.24 C ATOM 222 OE1 GLN A 34 -20.286 -0.857 -19.650 1.00 45.02 O ATOM 223 NE2 GLN A 34 -20.033 -1.736 -21.701 1.00 53.00 N ATOM 0 H GLN A 34 -16.232 1.304 -20.429 1.00 71.43 H new ATOM 0 HA GLN A 34 -17.764 -0.680 -21.799 1.00 22.23 H new ATOM 0 HB2 GLN A 34 -18.379 1.392 -20.208 1.00 72.33 H new ATOM 0 HB3 GLN A 34 -18.514 2.228 -21.743 1.00 72.33 H new ATOM 0 HG2 GLN A 34 -20.686 1.342 -21.010 1.00 52.33 H new ATOM 0 HG3 GLN A 34 -20.184 0.625 -22.528 1.00 52.33 H new ATOM 0 HE21 GLN A 34 -19.883 -1.570 -22.696 1.00 53.00 H new ATOM 0 HE22 GLN A 34 -20.127 -2.690 -21.352 1.00 53.00 H new ATOM 232 N CYS A 35 -17.934 0.054 -24.208 1.00 2.44 N ATOM 233 CA CYS A 35 -17.799 0.301 -25.638 1.00 44.20 C ATOM 234 C CYS A 35 -18.893 1.242 -26.133 1.00 42.45 C ATOM 235 O CYS A 35 -19.908 1.436 -25.466 1.00 74.11 O ATOM 236 CB CYS A 35 -17.856 -1.017 -26.412 1.00 22.30 C ATOM 237 SG CYS A 35 -17.021 -0.966 -28.030 1.00 64.52 S ATOM 0 H CYS A 35 -18.619 -0.662 -23.967 1.00 2.44 H new ATOM 0 HA CYS A 35 -16.832 0.774 -25.810 1.00 44.20 H new ATOM 0 HB2 CYS A 35 -17.403 -1.802 -25.806 1.00 22.30 H new ATOM 0 HB3 CYS A 35 -18.900 -1.293 -26.562 1.00 22.30 H new ATOM 0 HG CYS A 35 -17.831 -0.475 -28.921 1.00 64.52 H new ATOM 242 N ALA A 36 -18.677 1.825 -27.309 1.00 33.44 N ATOM 243 CA ALA A 36 -19.645 2.743 -27.895 1.00 12.42 C ATOM 244 C ALA A 36 -20.845 1.990 -28.460 1.00 3.11 C ATOM 245 O ALA A 36 -20.714 0.863 -28.935 1.00 22.23 O ATOM 246 CB ALA A 36 -18.987 3.582 -28.980 1.00 62.35 C ATOM 0 H ALA A 36 -17.840 1.677 -27.873 1.00 33.44 H new ATOM 0 HA ALA A 36 -20.004 3.405 -27.107 1.00 12.42 H new ATOM 0 HB1 ALA A 36 -19.722 4.263 -29.409 1.00 62.35 H new ATOM 0 HB2 ALA A 36 -18.168 4.157 -28.549 1.00 62.35 H new ATOM 0 HB3 ALA A 36 -18.599 2.928 -29.761 1.00 62.35 H new ATOM 252 N ASN A 37 -22.013 2.621 -28.404 1.00 73.34 N ATOM 253 CA ASN A 37 -23.237 2.009 -28.910 1.00 22.31 C ATOM 254 C ASN A 37 -23.484 2.406 -30.362 1.00 62.42 C ATOM 255 O ASN A 37 -24.566 2.180 -30.903 1.00 55.52 O ATOM 256 CB ASN A 37 -24.432 2.420 -28.047 1.00 25.41 C ATOM 257 CG ASN A 37 -25.188 1.224 -27.500 1.00 3.43 C ATOM 258 OD1 ASN A 37 -25.575 1.203 -26.331 1.00 73.24 O ATOM 259 ND2 ASN A 37 -25.401 0.222 -28.344 1.00 41.14 N ATOM 0 H ASN A 37 -22.138 3.555 -28.014 1.00 73.34 H new ATOM 0 HA ASN A 37 -23.118 0.926 -28.863 1.00 22.31 H new ATOM 0 HB2 ASN A 37 -24.083 3.036 -27.218 1.00 25.41 H new ATOM 0 HB3 ASN A 37 -25.110 3.035 -28.639 1.00 25.41 H new ATOM 0 HD21 ASN A 37 -25.904 -0.609 -28.033 1.00 41.14 H new ATOM 0 HD22 ASN A 37 -25.062 0.283 -29.304 1.00 41.14 H new ATOM 266 N VAL A 38 -22.472 2.997 -30.989 1.00 4.44 N ATOM 267 CA VAL A 38 -22.577 3.424 -32.379 1.00 15.44 C ATOM 268 C VAL A 38 -23.124 2.305 -33.257 1.00 73.03 C ATOM 269 O VAL A 38 -22.805 1.132 -33.059 1.00 42.25 O ATOM 270 CB VAL A 38 -21.213 3.877 -32.932 1.00 72.23 C ATOM 271 CG1 VAL A 38 -20.584 4.917 -32.018 1.00 30.10 C ATOM 272 CG2 VAL A 38 -20.288 2.682 -33.110 1.00 54.24 C ATOM 0 H VAL A 38 -21.569 3.191 -30.556 1.00 4.44 H new ATOM 0 HA VAL A 38 -23.266 4.268 -32.400 1.00 15.44 H new ATOM 0 HB VAL A 38 -21.370 4.335 -33.908 1.00 72.23 H new ATOM 0 HG11 VAL A 38 -19.621 5.225 -32.425 1.00 30.10 H new ATOM 0 HG12 VAL A 38 -21.241 5.784 -31.946 1.00 30.10 H new ATOM 0 HG13 VAL A 38 -20.438 4.489 -31.026 1.00 30.10 H new ATOM 0 HG21 VAL A 38 -19.328 3.020 -33.502 1.00 54.24 H new ATOM 0 HG22 VAL A 38 -20.136 2.193 -32.148 1.00 54.24 H new ATOM 0 HG23 VAL A 38 -20.737 1.976 -33.809 1.00 54.24 H new ATOM 282 N THR A 39 -23.951 2.674 -34.231 1.00 14.25 N ATOM 283 CA THR A 39 -24.544 1.702 -35.140 1.00 61.20 C ATOM 284 C THR A 39 -24.027 1.893 -36.562 1.00 35.45 C ATOM 285 O THR A 39 -23.666 3.001 -36.958 1.00 73.13 O ATOM 286 CB THR A 39 -26.081 1.802 -35.147 1.00 1.55 C ATOM 287 OG1 THR A 39 -26.484 3.122 -35.530 1.00 2.14 O ATOM 288 CG2 THR A 39 -26.651 1.471 -33.776 1.00 22.33 C ATOM 0 H THR A 39 -24.225 3.640 -34.410 1.00 14.25 H new ATOM 0 HA THR A 39 -24.254 0.715 -34.780 1.00 61.20 H new ATOM 0 HB THR A 39 -26.467 1.081 -35.867 1.00 1.55 H new ATOM 0 HG1 THR A 39 -27.462 3.177 -35.534 1.00 2.14 H new ATOM 0 HG21 THR A 39 -27.738 1.548 -33.805 1.00 22.33 H new ATOM 0 HG22 THR A 39 -26.367 0.456 -33.499 1.00 22.33 H new ATOM 0 HG23 THR A 39 -26.257 2.171 -33.039 1.00 22.33 H new ATOM 296 N CYS A 40 -23.995 0.806 -37.325 1.00 73.42 N ATOM 297 CA CYS A 40 -23.523 0.853 -38.704 1.00 32.33 C ATOM 298 C CYS A 40 -24.638 0.472 -39.674 1.00 11.22 C ATOM 299 O CYS A 40 -25.695 -0.008 -39.263 1.00 63.25 O ATOM 300 CB CYS A 40 -22.329 -0.086 -38.888 1.00 52.13 C ATOM 301 SG CYS A 40 -21.705 -0.809 -37.337 1.00 40.21 S ATOM 0 H CYS A 40 -24.290 -0.119 -37.012 1.00 73.42 H new ATOM 0 HA CYS A 40 -23.211 1.875 -38.921 1.00 32.33 H new ATOM 0 HB2 CYS A 40 -22.616 -0.893 -39.563 1.00 52.13 H new ATOM 0 HB3 CYS A 40 -21.521 0.462 -39.372 1.00 52.13 H new ATOM 306 N ARG A 41 -24.394 0.690 -40.962 1.00 11.32 N ATOM 307 CA ARG A 41 -25.377 0.371 -41.990 1.00 40.43 C ATOM 308 C ARG A 41 -24.733 -0.406 -43.135 1.00 55.30 C ATOM 309 O ARG A 41 -23.710 0.007 -43.681 1.00 11.43 O ATOM 310 CB ARG A 41 -26.019 1.652 -42.527 1.00 12.13 C ATOM 311 CG ARG A 41 -25.041 2.571 -43.241 1.00 75.31 C ATOM 312 CD ARG A 41 -25.516 4.015 -43.218 1.00 50.32 C ATOM 313 NE ARG A 41 -26.880 4.151 -43.723 1.00 44.53 N ATOM 314 CZ ARG A 41 -27.640 5.219 -43.507 1.00 40.04 C ATOM 315 NH1 ARG A 41 -27.172 6.238 -42.800 1.00 12.11 N1+ ATOM 316 NH2 ARG A 41 -28.871 5.269 -44.000 1.00 60.12 N ATOM 0 H ARG A 41 -23.524 1.086 -41.318 1.00 11.32 H new ATOM 0 HA ARG A 41 -26.149 -0.253 -41.539 1.00 40.43 H new ATOM 0 HB2 ARG A 41 -26.822 1.385 -43.214 1.00 12.13 H new ATOM 0 HB3 ARG A 41 -26.475 2.194 -41.699 1.00 12.13 H new ATOM 0 HG2 ARG A 41 -24.062 2.501 -42.767 1.00 75.31 H new ATOM 0 HG3 ARG A 41 -24.919 2.243 -44.273 1.00 75.31 H new ATOM 0 HD2 ARG A 41 -25.467 4.396 -42.198 1.00 50.32 H new ATOM 0 HD3 ARG A 41 -24.844 4.627 -43.820 1.00 50.32 H new ATOM 0 HE ARG A 41 -27.270 3.384 -44.271 1.00 44.53 H new ATOM 0 HH11 ARG A 41 -26.226 6.203 -42.420 1.00 12.11 H new ATOM 0 HH12 ARG A 41 -27.758 7.057 -42.636 1.00 12.11 H new ATOM 0 HH21 ARG A 41 -29.234 4.487 -44.545 1.00 60.12 H new ATOM 0 HH22 ARG A 41 -29.454 6.089 -43.834 1.00 60.12 H new ATOM 330 N ARG A 42 -25.340 -1.533 -43.493 1.00 11.31 N ATOM 331 CA ARG A 42 -24.825 -2.368 -44.571 1.00 74.30 C ATOM 332 C ARG A 42 -25.956 -2.839 -45.481 1.00 51.33 C ATOM 333 O ARG A 42 -26.918 -3.458 -45.026 1.00 15.31 O ATOM 334 CB ARG A 42 -24.081 -3.576 -43.998 1.00 74.02 C ATOM 335 CG ARG A 42 -22.780 -3.215 -43.301 1.00 61.12 C ATOM 336 CD ARG A 42 -21.591 -3.341 -44.241 1.00 51.11 C ATOM 337 NE ARG A 42 -21.355 -2.111 -44.992 1.00 45.11 N ATOM 338 CZ ARG A 42 -20.188 -1.801 -45.547 1.00 21.51 C ATOM 339 NH1 ARG A 42 -19.157 -2.628 -45.436 1.00 32.11 N1+ ATOM 340 NH2 ARG A 42 -20.051 -0.663 -46.215 1.00 23.21 N ATOM 0 H ARG A 42 -26.188 -1.888 -43.052 1.00 11.31 H new ATOM 0 HA ARG A 42 -24.132 -1.769 -45.161 1.00 74.30 H new ATOM 0 HB2 ARG A 42 -24.731 -4.091 -43.291 1.00 74.02 H new ATOM 0 HB3 ARG A 42 -23.869 -4.278 -44.805 1.00 74.02 H new ATOM 0 HG2 ARG A 42 -22.840 -2.194 -42.923 1.00 61.12 H new ATOM 0 HG3 ARG A 42 -22.635 -3.866 -42.439 1.00 61.12 H new ATOM 0 HD2 ARG A 42 -20.699 -3.592 -43.666 1.00 51.11 H new ATOM 0 HD3 ARG A 42 -21.764 -4.163 -44.936 1.00 51.11 H new ATOM 0 HE ARG A 42 -22.128 -1.454 -45.096 1.00 45.11 H new ATOM 0 HH11 ARG A 42 -19.259 -3.504 -44.924 1.00 32.11 H new ATOM 0 HH12 ARG A 42 -18.262 -2.388 -45.863 1.00 32.11 H new ATOM 0 HH21 ARG A 42 -20.842 -0.025 -46.303 1.00 23.21 H new ATOM 0 HH22 ARG A 42 -19.155 -0.426 -46.641 1.00 23.21 H new ATOM 354 N THR A 43 -25.834 -2.540 -46.771 1.00 63.41 N ATOM 355 CA THR A 43 -26.845 -2.931 -47.745 1.00 51.32 C ATOM 356 C THR A 43 -26.244 -3.799 -48.844 1.00 43.14 C ATOM 357 O THR A 43 -25.117 -3.569 -49.284 1.00 60.41 O ATOM 358 CB THR A 43 -27.512 -1.699 -48.386 1.00 72.34 C ATOM 359 OG1 THR A 43 -27.512 -0.605 -47.463 1.00 31.35 O ATOM 360 CG2 THR A 43 -28.940 -2.015 -48.807 1.00 1.44 C ATOM 0 H THR A 43 -25.045 -2.028 -47.165 1.00 63.41 H new ATOM 0 HA THR A 43 -27.599 -3.504 -47.206 1.00 51.32 H new ATOM 0 HB THR A 43 -26.941 -1.424 -49.273 1.00 72.34 H new ATOM 0 HG1 THR A 43 -28.031 0.138 -47.836 1.00 31.35 H new ATOM 0 HG21 THR A 43 -29.391 -1.130 -49.257 1.00 1.44 H new ATOM 0 HG22 THR A 43 -28.934 -2.828 -49.533 1.00 1.44 H new ATOM 0 HG23 THR A 43 -29.519 -2.313 -47.933 1.00 1.44 H new ATOM 368 N VAL A 44 -27.003 -4.797 -49.286 1.00 24.14 N ATOM 369 CA VAL A 44 -26.545 -5.699 -50.336 1.00 21.13 C ATOM 370 C VAL A 44 -27.722 -6.370 -51.035 1.00 65.13 C ATOM 371 O VAL A 44 -28.498 -7.093 -50.411 1.00 13.22 O ATOM 372 CB VAL A 44 -25.609 -6.785 -49.774 1.00 24.33 C ATOM 373 CG1 VAL A 44 -26.314 -7.594 -48.696 1.00 15.53 C ATOM 374 CG2 VAL A 44 -25.112 -7.690 -50.891 1.00 73.42 C ATOM 0 H VAL A 44 -27.938 -5.001 -48.933 1.00 24.14 H new ATOM 0 HA VAL A 44 -25.995 -5.093 -51.056 1.00 21.13 H new ATOM 0 HB VAL A 44 -24.746 -6.296 -49.321 1.00 24.33 H new ATOM 0 HG11 VAL A 44 -25.636 -8.356 -48.311 1.00 15.53 H new ATOM 0 HG12 VAL A 44 -26.615 -6.933 -47.883 1.00 15.53 H new ATOM 0 HG13 VAL A 44 -27.196 -8.074 -49.120 1.00 15.53 H new ATOM 0 HG21 VAL A 44 -24.452 -8.452 -50.476 1.00 73.42 H new ATOM 0 HG22 VAL A 44 -25.962 -8.171 -51.375 1.00 73.42 H new ATOM 0 HG23 VAL A 44 -24.565 -7.097 -51.624 1.00 73.42 H new ATOM 384 N ASP A 45 -27.847 -6.127 -52.335 1.00 43.42 N ATOM 385 CA ASP A 45 -28.928 -6.709 -53.121 1.00 52.44 C ATOM 386 C ASP A 45 -28.384 -7.387 -54.375 1.00 35.53 C ATOM 387 O ASP A 45 -27.351 -6.989 -54.909 1.00 64.11 O ATOM 388 CB ASP A 45 -29.942 -5.631 -53.509 1.00 74.41 C ATOM 389 CG ASP A 45 -31.306 -6.210 -53.834 1.00 44.22 C ATOM 390 OD1 ASP A 45 -31.479 -6.725 -54.959 1.00 12.21 O ATOM 391 OD2 ASP A 45 -32.199 -6.148 -52.964 1.00 24.33 O ATOM 0 H ASP A 45 -27.213 -5.531 -52.867 1.00 43.42 H new ATOM 0 HA ASP A 45 -29.425 -7.462 -52.509 1.00 52.44 H new ATOM 0 HB2 ASP A 45 -30.039 -4.916 -52.692 1.00 74.41 H new ATOM 0 HB3 ASP A 45 -29.569 -5.079 -54.372 1.00 74.41 H new ATOM 396 N ASN A 46 -29.088 -8.416 -54.837 1.00 54.32 N ATOM 397 CA ASN A 46 -28.675 -9.151 -56.027 1.00 32.32 C ATOM 398 C ASN A 46 -27.188 -9.488 -55.969 1.00 52.11 C ATOM 399 O ASN A 46 -26.531 -9.620 -57.002 1.00 21.34 O ATOM 400 CB ASN A 46 -28.977 -8.336 -57.286 1.00 64.41 C ATOM 401 CG ASN A 46 -29.381 -9.211 -58.457 1.00 52.44 C ATOM 402 OD1 ASN A 46 -28.890 -10.329 -58.610 1.00 75.30 O ATOM 403 ND2 ASN A 46 -30.281 -8.702 -59.292 1.00 24.42 N ATOM 0 H ASN A 46 -29.946 -8.759 -54.406 1.00 54.32 H new ATOM 0 HA ASN A 46 -29.239 -10.083 -56.062 1.00 32.32 H new ATOM 0 HB2 ASN A 46 -29.776 -7.626 -57.073 1.00 64.41 H new ATOM 0 HB3 ASN A 46 -28.097 -7.753 -57.558 1.00 64.41 H new ATOM 0 HD21 ASN A 46 -30.591 -9.243 -60.099 1.00 24.42 H new ATOM 0 HD22 ASN A 46 -30.661 -7.770 -59.126 1.00 24.42 H new ATOM 410 N ARG A 47 -26.665 -9.626 -54.755 1.00 40.52 N ATOM 411 CA ARG A 47 -25.256 -9.946 -54.563 1.00 21.15 C ATOM 412 C ARG A 47 -25.090 -11.358 -54.007 1.00 15.42 C ATOM 413 O ARG A 47 -24.120 -12.048 -54.316 1.00 52.21 O ATOM 414 CB ARG A 47 -24.605 -8.935 -53.617 1.00 14.31 C ATOM 415 CG ARG A 47 -23.281 -8.389 -54.126 1.00 54.00 C ATOM 416 CD ARG A 47 -22.109 -8.940 -53.330 1.00 3.43 C ATOM 417 NE ARG A 47 -21.763 -8.081 -52.200 1.00 33.33 N ATOM 418 CZ ARG A 47 -20.626 -8.182 -51.521 1.00 21.20 C ATOM 419 NH1 ARG A 47 -19.729 -9.099 -51.856 1.00 61.15 N1+ ATOM 420 NH2 ARG A 47 -20.384 -7.364 -50.504 1.00 63.44 N ATOM 0 H ARG A 47 -27.196 -9.521 -53.890 1.00 40.52 H new ATOM 0 HA ARG A 47 -24.763 -9.895 -55.534 1.00 21.15 H new ATOM 0 HB2 ARG A 47 -25.293 -8.105 -53.457 1.00 14.31 H new ATOM 0 HB3 ARG A 47 -24.445 -9.408 -52.648 1.00 14.31 H new ATOM 0 HG2 ARG A 47 -23.161 -8.646 -55.178 1.00 54.00 H new ATOM 0 HG3 ARG A 47 -23.286 -7.301 -54.062 1.00 54.00 H new ATOM 0 HD2 ARG A 47 -22.355 -9.937 -52.965 1.00 3.43 H new ATOM 0 HD3 ARG A 47 -21.244 -9.045 -53.984 1.00 3.43 H new ATOM 0 HE ARG A 47 -22.431 -7.364 -51.917 1.00 33.33 H new ATOM 0 HH11 ARG A 47 -19.911 -9.729 -52.637 1.00 61.15 H new ATOM 0 HH12 ARG A 47 -18.857 -9.174 -51.333 1.00 61.15 H new ATOM 0 HH21 ARG A 47 -21.072 -6.657 -50.243 1.00 63.44 H new ATOM 0 HH22 ARG A 47 -19.511 -7.442 -49.983 1.00 63.44 H new ATOM 434 N GLY A 48 -26.046 -11.780 -53.184 1.00 5.24 N ATOM 435 CA GLY A 48 -25.987 -13.106 -52.597 1.00 63.03 C ATOM 436 C GLY A 48 -24.950 -13.208 -51.497 1.00 5.24 C ATOM 437 O GLY A 48 -24.812 -14.251 -50.856 1.00 55.53 O ATOM 0 H GLY A 48 -26.860 -11.227 -52.914 1.00 5.24 H new ATOM 0 HA2 GLY A 48 -26.966 -13.365 -52.194 1.00 63.03 H new ATOM 0 HA3 GLY A 48 -25.759 -13.835 -53.375 1.00 63.03 H new ATOM 441 N LYS A 49 -24.215 -12.123 -51.276 1.00 0.12 N ATOM 442 CA LYS A 49 -23.184 -12.093 -50.245 1.00 62.04 C ATOM 443 C LYS A 49 -23.558 -11.123 -49.129 1.00 61.12 C ATOM 444 O LYS A 49 -23.974 -9.994 -49.389 1.00 5.21 O ATOM 445 CB LYS A 49 -21.838 -11.693 -50.853 1.00 44.24 C ATOM 446 CG LYS A 49 -20.641 -12.177 -50.053 1.00 42.41 C ATOM 447 CD LYS A 49 -19.368 -12.150 -50.882 1.00 61.45 C ATOM 448 CE LYS A 49 -18.412 -13.260 -50.472 1.00 10.14 C ATOM 449 NZ LYS A 49 -17.592 -12.876 -49.289 1.00 72.01 N1+ ATOM 0 H LYS A 49 -24.314 -11.252 -51.798 1.00 0.12 H new ATOM 0 HA LYS A 49 -23.101 -13.093 -49.820 1.00 62.04 H new ATOM 0 HB2 LYS A 49 -21.773 -12.092 -51.865 1.00 44.24 H new ATOM 0 HB3 LYS A 49 -21.794 -10.607 -50.935 1.00 44.24 H new ATOM 0 HG2 LYS A 49 -20.515 -11.550 -49.170 1.00 42.41 H new ATOM 0 HG3 LYS A 49 -20.825 -13.192 -49.700 1.00 42.41 H new ATOM 0 HD2 LYS A 49 -19.618 -12.255 -51.938 1.00 61.45 H new ATOM 0 HD3 LYS A 49 -18.877 -11.184 -50.765 1.00 61.45 H new ATOM 0 HE2 LYS A 49 -18.979 -14.162 -50.243 1.00 10.14 H new ATOM 0 HE3 LYS A 49 -17.754 -13.500 -51.307 1.00 10.14 H new ATOM 0 HZ1 LYS A 49 -16.953 -13.658 -49.041 1.00 72.01 H new ATOM 0 HZ2 LYS A 49 -17.031 -12.030 -49.515 1.00 72.01 H new ATOM 0 HZ3 LYS A 49 -18.218 -12.671 -48.484 1.00 72.01 H new ATOM 463 N ARG A 50 -23.406 -11.571 -47.887 1.00 52.40 N ATOM 464 CA ARG A 50 -23.728 -10.742 -46.732 1.00 10.33 C ATOM 465 C ARG A 50 -22.593 -9.768 -46.428 1.00 70.10 C ATOM 466 O ARG A 50 -21.422 -10.149 -46.410 1.00 31.21 O ATOM 467 CB ARG A 50 -24.003 -11.619 -45.509 1.00 1.33 C ATOM 468 CG ARG A 50 -24.462 -10.836 -44.289 1.00 72.41 C ATOM 469 CD ARG A 50 -25.959 -10.984 -44.064 1.00 22.13 C ATOM 470 NE ARG A 50 -26.737 -10.245 -45.054 1.00 71.01 N ATOM 471 CZ ARG A 50 -26.919 -8.930 -45.014 1.00 5.35 C ATOM 472 NH1 ARG A 50 -26.380 -8.213 -44.037 1.00 41.41 N1+ ATOM 473 NH2 ARG A 50 -27.640 -8.329 -45.951 1.00 62.15 N ATOM 0 H ARG A 50 -23.062 -12.503 -47.655 1.00 52.40 H new ATOM 0 HA ARG A 50 -24.624 -10.167 -46.967 1.00 10.33 H new ATOM 0 HB2 ARG A 50 -24.764 -12.356 -45.765 1.00 1.33 H new ATOM 0 HB3 ARG A 50 -23.097 -12.170 -45.257 1.00 1.33 H new ATOM 0 HG2 ARG A 50 -23.924 -11.185 -43.408 1.00 72.41 H new ATOM 0 HG3 ARG A 50 -24.214 -9.782 -44.417 1.00 72.41 H new ATOM 0 HD2 ARG A 50 -26.229 -12.039 -44.105 1.00 22.13 H new ATOM 0 HD3 ARG A 50 -26.212 -10.629 -43.065 1.00 22.13 H new ATOM 0 HE ARG A 50 -27.164 -10.768 -45.819 1.00 71.01 H new ATOM 0 HH11 ARG A 50 -25.825 -8.671 -43.315 1.00 41.41 H new ATOM 0 HH12 ARG A 50 -26.521 -7.203 -44.008 1.00 41.41 H new ATOM 0 HH21 ARG A 50 -28.056 -8.877 -46.704 1.00 62.15 H new ATOM 0 HH22 ARG A 50 -27.779 -7.319 -45.918 1.00 62.15 H new ATOM 487 N HIS A 51 -22.948 -8.509 -46.190 1.00 63.25 N ATOM 488 CA HIS A 51 -21.959 -7.481 -45.887 1.00 41.45 C ATOM 489 C HIS A 51 -21.868 -7.240 -44.384 1.00 32.45 C ATOM 490 O HIS A 51 -22.887 -7.156 -43.696 1.00 45.45 O ATOM 491 CB HIS A 51 -22.313 -6.177 -46.603 1.00 44.35 C ATOM 492 CG HIS A 51 -21.121 -5.450 -47.148 1.00 75.54 C ATOM 493 ND1 HIS A 51 -21.213 -4.481 -48.125 1.00 61.40 N ATOM 494 CD2 HIS A 51 -19.806 -5.555 -46.846 1.00 72.44 C ATOM 495 CE1 HIS A 51 -20.005 -4.023 -48.402 1.00 12.25 C ATOM 496 NE2 HIS A 51 -19.134 -4.658 -47.639 1.00 4.12 N ATOM 0 H HIS A 51 -23.912 -8.177 -46.201 1.00 63.25 H new ATOM 0 HA HIS A 51 -20.989 -7.830 -46.240 1.00 41.45 H new ATOM 0 HB2 HIS A 51 -23.000 -6.396 -47.421 1.00 44.35 H new ATOM 0 HB3 HIS A 51 -22.841 -5.523 -45.909 1.00 44.35 H new ATOM 0 HD2 HIS A 51 -19.367 -6.220 -46.117 1.00 72.44 H new ATOM 0 HE1 HIS A 51 -19.770 -3.259 -49.129 1.00 12.25 H new ATOM 0 HE2 HIS A 51 -18.125 -4.507 -47.639 1.00 4.12 H new ATOM 504 N ILE A 52 -20.644 -7.133 -43.879 1.00 44.34 N ATOM 505 CA ILE A 52 -20.421 -6.902 -42.457 1.00 60.24 C ATOM 506 C ILE A 52 -19.831 -5.518 -42.211 1.00 24.03 C ATOM 507 O ILE A 52 -18.972 -5.055 -42.961 1.00 64.55 O ATOM 508 CB ILE A 52 -19.481 -7.964 -41.855 1.00 52.54 C ATOM 509 CG1 ILE A 52 -20.028 -9.368 -42.119 1.00 24.34 C ATOM 510 CG2 ILE A 52 -19.305 -7.729 -40.363 1.00 23.14 C ATOM 511 CD1 ILE A 52 -21.391 -9.610 -41.511 1.00 14.15 C ATOM 0 H ILE A 52 -19.791 -7.203 -44.434 1.00 44.34 H new ATOM 0 HA ILE A 52 -21.393 -6.971 -41.969 1.00 60.24 H new ATOM 0 HB ILE A 52 -18.505 -7.879 -42.334 1.00 52.54 H new ATOM 0 HG12 ILE A 52 -20.085 -9.530 -43.195 1.00 24.34 H new ATOM 0 HG13 ILE A 52 -19.327 -10.103 -41.723 1.00 24.34 H new ATOM 0 HG21 ILE A 52 -18.638 -8.487 -39.951 1.00 23.14 H new ATOM 0 HG22 ILE A 52 -18.876 -6.741 -40.198 1.00 23.14 H new ATOM 0 HG23 ILE A 52 -20.274 -7.791 -39.868 1.00 23.14 H new ATOM 0 HD11 ILE A 52 -21.716 -10.625 -41.738 1.00 14.15 H new ATOM 0 HD12 ILE A 52 -21.336 -9.480 -40.430 1.00 14.15 H new ATOM 0 HD13 ILE A 52 -22.106 -8.899 -41.926 1.00 14.15 H new ATOM 523 N ASP A 53 -20.296 -4.863 -41.153 1.00 41.40 N ATOM 524 CA ASP A 53 -19.812 -3.532 -40.805 1.00 10.34 C ATOM 525 C ASP A 53 -18.992 -3.571 -39.519 1.00 12.03 C ATOM 526 O ASP A 53 -19.111 -4.501 -38.723 1.00 33.42 O ATOM 527 CB ASP A 53 -20.986 -2.564 -40.646 1.00 70.33 C ATOM 528 CG ASP A 53 -22.229 -3.246 -40.109 1.00 53.51 C ATOM 529 OD1 ASP A 53 -22.088 -4.173 -39.285 1.00 60.25 O ATOM 530 OD2 ASP A 53 -23.344 -2.852 -40.513 1.00 44.40 O ATOM 0 H ASP A 53 -21.007 -5.232 -40.522 1.00 41.40 H new ATOM 0 HA ASP A 53 -19.170 -3.183 -41.614 1.00 10.34 H new ATOM 0 HB2 ASP A 53 -20.699 -1.756 -39.973 1.00 70.33 H new ATOM 0 HB3 ASP A 53 -21.212 -2.110 -41.611 1.00 70.33 H new ATOM 535 N GLY A 54 -18.158 -2.554 -39.323 1.00 14.20 N ATOM 536 CA GLY A 54 -17.330 -2.492 -38.133 1.00 71.10 C ATOM 537 C GLY A 54 -17.469 -1.174 -37.398 1.00 2.13 C ATOM 538 O GLY A 54 -17.933 -0.184 -37.964 1.00 70.14 O ATOM 0 H GLY A 54 -18.041 -1.772 -39.967 1.00 14.20 H new ATOM 0 HA2 GLY A 54 -17.600 -3.308 -37.463 1.00 71.10 H new ATOM 0 HA3 GLY A 54 -16.287 -2.641 -38.412 1.00 71.10 H new ATOM 542 N CYS A 55 -17.067 -1.160 -36.131 1.00 51.41 N ATOM 543 CA CYS A 55 -17.151 0.046 -35.316 1.00 25.15 C ATOM 544 C CYS A 55 -15.758 0.567 -34.971 1.00 32.23 C ATOM 545 O CYS A 55 -14.869 -0.184 -34.569 1.00 71.22 O ATOM 546 CB CYS A 55 -17.934 -0.235 -34.032 1.00 13.21 C ATOM 547 SG CYS A 55 -19.347 -1.364 -34.255 1.00 4.21 S ATOM 0 H CYS A 55 -16.680 -1.970 -35.647 1.00 51.41 H new ATOM 0 HA CYS A 55 -17.673 0.809 -35.893 1.00 25.15 H new ATOM 0 HB2 CYS A 55 -17.256 -0.660 -33.291 1.00 13.21 H new ATOM 0 HB3 CYS A 55 -18.298 0.709 -33.627 1.00 13.21 H new ATOM 552 N PRO A 56 -15.563 1.884 -35.130 1.00 52.23 N ATOM 553 CA PRO A 56 -14.282 2.536 -34.841 1.00 32.50 C ATOM 554 C PRO A 56 -13.974 2.572 -33.348 1.00 34.51 C ATOM 555 O PRO A 56 -12.818 2.623 -32.929 1.00 62.41 O ATOM 556 CB PRO A 56 -14.476 3.955 -35.381 1.00 62.54 C ATOM 557 CG PRO A 56 -15.948 4.178 -35.339 1.00 50.51 C ATOM 558 CD PRO A 56 -16.578 2.839 -35.605 1.00 53.41 C ATOM 0 HA PRO A 56 -13.444 2.005 -35.292 1.00 32.50 H new ATOM 0 HB2 PRO A 56 -13.947 4.687 -34.770 1.00 62.54 H new ATOM 0 HB3 PRO A 56 -14.090 4.049 -36.396 1.00 62.54 H new ATOM 0 HG2 PRO A 56 -16.256 4.568 -34.369 1.00 50.51 H new ATOM 0 HG3 PRO A 56 -16.253 4.909 -36.088 1.00 50.51 H new ATOM 0 HD2 PRO A 56 -17.520 2.724 -35.068 1.00 53.41 H new ATOM 0 HD3 PRO A 56 -16.796 2.701 -36.664 1.00 53.41 H new ATOM 566 N PRO A 57 -15.032 2.544 -32.524 1.00 34.11 N ATOM 567 CA PRO A 57 -14.900 2.571 -31.064 1.00 41.53 C ATOM 568 C PRO A 57 -14.312 1.278 -30.511 1.00 45.11 C ATOM 569 O PRO A 57 -14.150 1.126 -29.301 1.00 71.20 O ATOM 570 CB PRO A 57 -16.341 2.753 -30.581 1.00 2.33 C ATOM 571 CG PRO A 57 -17.182 2.197 -31.678 1.00 5.15 C ATOM 572 CD PRO A 57 -16.440 2.483 -32.954 1.00 5.02 C ATOM 0 HA PRO A 57 -14.222 3.356 -30.731 1.00 41.53 H new ATOM 0 HB2 PRO A 57 -16.514 2.225 -29.643 1.00 2.33 H new ATOM 0 HB3 PRO A 57 -16.569 3.804 -30.402 1.00 2.33 H new ATOM 0 HG2 PRO A 57 -17.335 1.126 -31.547 1.00 5.15 H new ATOM 0 HG3 PRO A 57 -18.168 2.661 -31.687 1.00 5.15 H new ATOM 0 HD2 PRO A 57 -16.600 1.701 -33.696 1.00 5.02 H new ATOM 0 HD3 PRO A 57 -16.763 3.421 -33.405 1.00 5.02 H new ATOM 580 N GLY A 58 -13.992 0.348 -31.406 1.00 71.01 N ATOM 581 CA GLY A 58 -13.425 -0.920 -30.988 1.00 23.45 C ATOM 582 C GLY A 58 -14.479 -1.993 -30.800 1.00 22.42 C ATOM 583 O GLY A 58 -14.182 -3.089 -30.324 1.00 21.54 O ATOM 0 H GLY A 58 -14.116 0.451 -32.413 1.00 71.01 H new ATOM 0 HA2 GLY A 58 -12.701 -1.253 -31.731 1.00 23.45 H new ATOM 0 HA3 GLY A 58 -12.882 -0.781 -30.053 1.00 23.45 H new ATOM 587 N CYS A 59 -15.715 -1.678 -31.173 1.00 64.21 N ATOM 588 CA CYS A 59 -16.818 -2.622 -31.042 1.00 22.23 C ATOM 589 C CYS A 59 -17.104 -3.313 -32.372 1.00 23.21 C ATOM 590 O CYS A 59 -16.683 -2.845 -33.431 1.00 10.14 O ATOM 591 CB CYS A 59 -18.075 -1.904 -30.547 1.00 41.00 C ATOM 592 SG CYS A 59 -17.775 -0.734 -29.184 1.00 4.52 S ATOM 0 H CYS A 59 -15.978 -0.775 -31.569 1.00 64.21 H new ATOM 0 HA CYS A 59 -16.530 -3.380 -30.314 1.00 22.23 H new ATOM 0 HB2 CYS A 59 -18.525 -1.366 -31.381 1.00 41.00 H new ATOM 0 HB3 CYS A 59 -18.800 -2.649 -30.219 1.00 41.00 H new ATOM 0 HG CYS A 59 -16.929 -1.253 -28.345 1.00 4.52 H new ATOM 597 N LEU A 60 -17.821 -4.429 -32.310 1.00 35.31 N ATOM 598 CA LEU A 60 -18.165 -5.186 -33.509 1.00 43.21 C ATOM 599 C LEU A 60 -19.676 -5.224 -33.715 1.00 24.01 C ATOM 600 O LEU A 60 -20.427 -5.586 -32.809 1.00 55.14 O ATOM 601 CB LEU A 60 -17.616 -6.610 -33.412 1.00 24.21 C ATOM 602 CG LEU A 60 -18.327 -7.663 -34.263 1.00 23.23 C ATOM 603 CD1 LEU A 60 -18.261 -7.292 -35.736 1.00 63.41 C ATOM 604 CD2 LEU A 60 -17.718 -9.038 -34.029 1.00 5.11 C ATOM 0 H LEU A 60 -18.176 -4.830 -31.442 1.00 35.31 H new ATOM 0 HA LEU A 60 -17.713 -4.686 -34.366 1.00 43.21 H new ATOM 0 HB2 LEU A 60 -16.564 -6.592 -33.696 1.00 24.21 H new ATOM 0 HB3 LEU A 60 -17.660 -6.925 -32.369 1.00 24.21 H new ATOM 0 HG LEU A 60 -19.375 -7.697 -33.965 1.00 23.23 H new ATOM 0 HD11 LEU A 60 -18.772 -8.053 -36.326 1.00 63.41 H new ATOM 0 HD12 LEU A 60 -18.745 -6.327 -35.890 1.00 63.41 H new ATOM 0 HD13 LEU A 60 -17.219 -7.229 -36.049 1.00 63.41 H new ATOM 0 HD21 LEU A 60 -18.236 -9.775 -34.643 1.00 5.11 H new ATOM 0 HD22 LEU A 60 -16.662 -9.019 -34.299 1.00 5.11 H new ATOM 0 HD23 LEU A 60 -17.819 -9.306 -32.977 1.00 5.11 H new ATOM 616 N CYS A 61 -20.114 -4.850 -34.912 1.00 60.34 N ATOM 617 CA CYS A 61 -21.535 -4.843 -35.239 1.00 63.12 C ATOM 618 C CYS A 61 -21.851 -5.879 -36.314 1.00 21.20 C ATOM 619 O CYS A 61 -21.354 -5.796 -37.437 1.00 52.14 O ATOM 620 CB CYS A 61 -21.963 -3.453 -35.713 1.00 73.14 C ATOM 621 SG CYS A 61 -20.820 -2.690 -36.909 1.00 72.33 S ATOM 0 H CYS A 61 -19.505 -4.548 -35.672 1.00 60.34 H new ATOM 0 HA CYS A 61 -22.091 -5.100 -34.338 1.00 63.12 H new ATOM 0 HB2 CYS A 61 -22.952 -3.524 -36.166 1.00 73.14 H new ATOM 0 HB3 CYS A 61 -22.056 -2.798 -34.847 1.00 73.14 H new ATOM 626 N VAL A 62 -22.681 -6.855 -35.961 1.00 72.50 N ATOM 627 CA VAL A 62 -23.065 -7.907 -36.895 1.00 34.33 C ATOM 628 C VAL A 62 -24.549 -7.826 -37.234 1.00 54.43 C ATOM 629 O VAL A 62 -25.406 -7.952 -36.358 1.00 40.11 O ATOM 630 CB VAL A 62 -22.757 -9.304 -36.324 1.00 63.44 C ATOM 631 CG1 VAL A 62 -23.396 -9.476 -34.955 1.00 53.41 C ATOM 632 CG2 VAL A 62 -23.230 -10.387 -37.282 1.00 53.04 C ATOM 0 H VAL A 62 -23.101 -6.939 -35.035 1.00 72.50 H new ATOM 0 HA VAL A 62 -22.479 -7.755 -37.801 1.00 34.33 H new ATOM 0 HB VAL A 62 -21.677 -9.399 -36.208 1.00 63.44 H new ATOM 0 HG11 VAL A 62 -23.167 -10.469 -34.569 1.00 53.41 H new ATOM 0 HG12 VAL A 62 -23.003 -8.722 -34.273 1.00 53.41 H new ATOM 0 HG13 VAL A 62 -24.476 -9.360 -35.041 1.00 53.41 H new ATOM 0 HG21 VAL A 62 -23.004 -11.368 -36.863 1.00 53.04 H new ATOM 0 HG22 VAL A 62 -24.306 -10.295 -37.432 1.00 53.04 H new ATOM 0 HG23 VAL A 62 -22.719 -10.275 -38.238 1.00 53.04 H new ATOM 642 N LEU A 63 -24.848 -7.614 -38.511 1.00 45.04 N ATOM 643 CA LEU A 63 -26.229 -7.516 -38.968 1.00 54.24 C ATOM 644 C LEU A 63 -26.538 -8.593 -40.003 1.00 55.34 C ATOM 645 O LEU A 63 -25.857 -8.704 -41.023 1.00 2.33 O ATOM 646 CB LEU A 63 -26.494 -6.131 -39.562 1.00 1.01 C ATOM 647 CG LEU A 63 -26.069 -5.932 -41.017 1.00 71.23 C ATOM 648 CD1 LEU A 63 -26.532 -4.576 -41.528 1.00 25.41 C ATOM 649 CD2 LEU A 63 -24.560 -6.070 -41.156 1.00 30.10 C ATOM 0 H LEU A 63 -24.152 -7.507 -39.249 1.00 45.04 H new ATOM 0 HA LEU A 63 -26.881 -7.667 -38.108 1.00 54.24 H new ATOM 0 HB2 LEU A 63 -27.561 -5.923 -39.484 1.00 1.01 H new ATOM 0 HB3 LEU A 63 -25.979 -5.391 -38.950 1.00 1.01 H new ATOM 0 HG LEU A 63 -26.541 -6.706 -41.622 1.00 71.23 H new ATOM 0 HD11 LEU A 63 -26.220 -4.452 -42.565 1.00 25.41 H new ATOM 0 HD12 LEU A 63 -27.619 -4.515 -41.466 1.00 25.41 H new ATOM 0 HD13 LEU A 63 -26.089 -3.787 -40.920 1.00 25.41 H new ATOM 0 HD21 LEU A 63 -24.276 -5.925 -42.198 1.00 30.10 H new ATOM 0 HD22 LEU A 63 -24.068 -5.319 -40.538 1.00 30.10 H new ATOM 0 HD23 LEU A 63 -24.254 -7.065 -40.831 1.00 30.10 H new ATOM 661 N LYS A 64 -27.572 -9.384 -39.736 1.00 52.42 N ATOM 662 CA LYS A 64 -27.975 -10.450 -40.645 1.00 73.11 C ATOM 663 C LYS A 64 -29.211 -10.047 -41.443 1.00 15.14 C ATOM 664 O LYS A 64 -30.236 -9.676 -40.872 1.00 54.02 O ATOM 665 CB LYS A 64 -28.256 -11.735 -39.863 1.00 75.33 C ATOM 666 CG LYS A 64 -28.657 -12.907 -40.743 1.00 63.00 C ATOM 667 CD LYS A 64 -28.627 -14.217 -39.974 1.00 75.20 C ATOM 668 CE LYS A 64 -29.720 -14.268 -38.917 1.00 1.41 C ATOM 669 NZ LYS A 64 -29.651 -15.516 -38.107 1.00 52.52 N1+ ATOM 0 H LYS A 64 -28.146 -9.306 -38.897 1.00 52.42 H new ATOM 0 HA LYS A 64 -27.157 -10.628 -41.343 1.00 73.11 H new ATOM 0 HB2 LYS A 64 -27.367 -12.006 -39.294 1.00 75.33 H new ATOM 0 HB3 LYS A 64 -29.050 -11.545 -39.141 1.00 75.33 H new ATOM 0 HG2 LYS A 64 -29.658 -12.740 -41.140 1.00 63.00 H new ATOM 0 HG3 LYS A 64 -27.982 -12.970 -41.597 1.00 63.00 H new ATOM 0 HD2 LYS A 64 -28.750 -15.050 -40.667 1.00 75.20 H new ATOM 0 HD3 LYS A 64 -27.654 -14.339 -39.499 1.00 75.20 H new ATOM 0 HE2 LYS A 64 -29.630 -13.403 -38.260 1.00 1.41 H new ATOM 0 HE3 LYS A 64 -30.695 -14.202 -39.400 1.00 1.41 H new ATOM 0 HZ1 LYS A 64 -30.412 -15.512 -37.398 1.00 52.52 H new ATOM 0 HZ2 LYS A 64 -29.762 -16.341 -38.730 1.00 52.52 H new ATOM 0 HZ3 LYS A 64 -28.730 -15.567 -37.626 1.00 52.52 H new ATOM 683 N GLY A 65 -29.108 -10.124 -42.766 1.00 44.30 N ATOM 684 CA GLY A 65 -30.225 -9.765 -43.620 1.00 1.12 C ATOM 685 C GLY A 65 -30.407 -10.731 -44.773 1.00 60.52 C ATOM 686 O GLY A 65 -29.565 -10.832 -45.666 1.00 23.34 O ATOM 0 H GLY A 65 -28.270 -10.429 -43.262 1.00 44.30 H new ATOM 0 HA2 GLY A 65 -31.138 -9.737 -43.026 1.00 1.12 H new ATOM 0 HA3 GLY A 65 -30.070 -8.760 -44.013 1.00 1.12 H new ATOM 690 N PRO A 66 -31.529 -11.466 -44.764 1.00 15.44 N ATOM 691 CA PRO A 66 -31.845 -12.443 -45.809 1.00 70.15 C ATOM 692 C PRO A 66 -32.174 -11.780 -47.143 1.00 4.13 C ATOM 693 O PRO A 66 -31.816 -10.625 -47.377 1.00 72.42 O ATOM 694 CB PRO A 66 -33.074 -13.170 -45.257 1.00 4.13 C ATOM 695 CG PRO A 66 -33.706 -12.192 -44.328 1.00 12.02 C ATOM 696 CD PRO A 66 -32.577 -11.398 -43.731 1.00 54.43 C ATOM 0 HA PRO A 66 -31.002 -13.101 -46.018 1.00 70.15 H new ATOM 0 HB2 PRO A 66 -33.758 -13.455 -46.057 1.00 4.13 H new ATOM 0 HB3 PRO A 66 -32.792 -14.085 -44.737 1.00 4.13 H new ATOM 0 HG2 PRO A 66 -34.401 -11.542 -44.859 1.00 12.02 H new ATOM 0 HG3 PRO A 66 -34.276 -12.703 -43.552 1.00 12.02 H new ATOM 0 HD2 PRO A 66 -32.873 -10.369 -43.526 1.00 54.43 H new ATOM 0 HD3 PRO A 66 -32.239 -11.826 -42.787 1.00 54.43 H new ATOM 704 N ASP A 67 -32.856 -12.517 -48.012 1.00 50.32 N ATOM 705 CA ASP A 67 -33.234 -11.999 -49.322 1.00 53.00 C ATOM 706 C ASP A 67 -33.976 -10.673 -49.189 1.00 10.44 C ATOM 707 O ASP A 67 -33.996 -9.865 -50.118 1.00 33.24 O ATOM 708 CB ASP A 67 -34.107 -13.013 -50.062 1.00 72.54 C ATOM 709 CG ASP A 67 -35.427 -13.263 -49.360 1.00 32.21 C ATOM 710 OD1 ASP A 67 -36.393 -12.518 -49.629 1.00 30.15 O ATOM 711 OD2 ASP A 67 -35.495 -14.204 -48.542 1.00 62.31 O ATOM 0 H ASP A 67 -33.159 -13.475 -47.834 1.00 50.32 H new ATOM 0 HA ASP A 67 -32.322 -11.829 -49.895 1.00 53.00 H new ATOM 0 HB2 ASP A 67 -34.299 -12.653 -51.073 1.00 72.54 H new ATOM 0 HB3 ASP A 67 -33.565 -13.954 -50.156 1.00 72.54 H new ATOM 716 N SER A 68 -34.585 -10.455 -48.027 1.00 72.35 N ATOM 717 CA SER A 68 -35.333 -9.229 -47.774 1.00 64.11 C ATOM 718 C SER A 68 -34.442 -8.175 -47.123 1.00 54.10 C ATOM 719 O SER A 68 -34.931 -7.219 -46.520 1.00 24.01 O ATOM 720 CB SER A 68 -36.539 -9.518 -46.879 1.00 0.24 C ATOM 721 OG SER A 68 -37.324 -10.574 -47.405 1.00 24.02 O ATOM 0 H SER A 68 -34.575 -11.111 -47.246 1.00 72.35 H new ATOM 0 HA SER A 68 -35.685 -8.842 -48.730 1.00 64.11 H new ATOM 0 HB2 SER A 68 -36.198 -9.779 -45.877 1.00 0.24 H new ATOM 0 HB3 SER A 68 -37.149 -8.620 -46.784 1.00 0.24 H new ATOM 0 HG SER A 68 -38.087 -10.740 -46.813 1.00 24.02 H new ATOM 727 N LYS A 69 -33.132 -8.356 -47.249 1.00 72.44 N ATOM 728 CA LYS A 69 -32.171 -7.422 -46.675 1.00 70.15 C ATOM 729 C LYS A 69 -32.485 -5.990 -47.098 1.00 60.40 C ATOM 730 O LYS A 69 -33.176 -5.764 -48.091 1.00 55.21 O ATOM 731 CB LYS A 69 -30.750 -7.792 -47.106 1.00 22.13 C ATOM 732 CG LYS A 69 -30.614 -8.053 -48.596 1.00 22.12 C ATOM 733 CD LYS A 69 -29.645 -9.190 -48.877 1.00 11.43 C ATOM 734 CE LYS A 69 -29.903 -9.818 -50.238 1.00 20.25 C ATOM 735 NZ LYS A 69 -29.843 -11.305 -50.182 1.00 61.10 N1+ ATOM 0 H LYS A 69 -32.711 -9.142 -47.744 1.00 72.44 H new ATOM 0 HA LYS A 69 -32.243 -7.486 -45.589 1.00 70.15 H new ATOM 0 HB2 LYS A 69 -30.072 -6.986 -46.824 1.00 22.13 H new ATOM 0 HB3 LYS A 69 -30.434 -8.681 -46.560 1.00 22.13 H new ATOM 0 HG2 LYS A 69 -31.591 -8.295 -49.015 1.00 22.12 H new ATOM 0 HG3 LYS A 69 -30.268 -7.148 -49.095 1.00 22.12 H new ATOM 0 HD2 LYS A 69 -28.622 -8.816 -48.836 1.00 11.43 H new ATOM 0 HD3 LYS A 69 -29.739 -9.950 -48.101 1.00 11.43 H new ATOM 0 HE2 LYS A 69 -30.882 -9.507 -50.602 1.00 20.25 H new ATOM 0 HE3 LYS A 69 -29.166 -9.451 -50.953 1.00 20.25 H new ATOM 0 HZ1 LYS A 69 -30.398 -11.705 -50.966 1.00 61.10 H new ATOM 0 HZ2 LYS A 69 -28.854 -11.616 -50.264 1.00 61.10 H new ATOM 0 HZ3 LYS A 69 -30.236 -11.634 -49.277 1.00 61.10 H new ATOM 749 N ASP A 70 -31.972 -5.029 -46.339 1.00 44.52 N ATOM 750 CA ASP A 70 -32.195 -3.619 -46.637 1.00 12.52 C ATOM 751 C ASP A 70 -31.030 -2.767 -46.142 1.00 62.33 C ATOM 752 O ASP A 70 -30.009 -3.292 -45.700 1.00 30.32 O ATOM 753 CB ASP A 70 -33.500 -3.141 -45.997 1.00 5.22 C ATOM 754 CG ASP A 70 -34.690 -3.983 -46.411 1.00 30.33 C ATOM 755 OD1 ASP A 70 -35.070 -3.929 -47.599 1.00 33.13 O ATOM 756 OD2 ASP A 70 -35.242 -4.696 -45.546 1.00 71.23 O ATOM 0 H ASP A 70 -31.399 -5.200 -45.513 1.00 44.52 H new ATOM 0 HA ASP A 70 -32.268 -3.509 -47.719 1.00 12.52 H new ATOM 0 HB2 ASP A 70 -33.400 -3.167 -44.912 1.00 5.22 H new ATOM 0 HB3 ASP A 70 -33.679 -2.103 -46.276 1.00 5.22 H new ATOM 761 N ASN A 71 -31.190 -1.450 -46.222 1.00 20.31 N ATOM 762 CA ASN A 71 -30.150 -0.526 -45.784 1.00 33.11 C ATOM 763 C ASN A 71 -30.218 -0.306 -44.276 1.00 31.23 C ATOM 764 O ASN A 71 -29.576 0.598 -43.739 1.00 65.54 O ATOM 765 CB ASN A 71 -30.289 0.812 -46.512 1.00 44.24 C ATOM 766 CG ASN A 71 -30.291 0.652 -48.020 1.00 42.15 C ATOM 767 OD1 ASN A 71 -29.269 0.851 -48.678 1.00 55.24 O ATOM 768 ND2 ASN A 71 -31.442 0.291 -48.575 1.00 61.32 N ATOM 0 H ASN A 71 -32.029 -0.999 -46.586 1.00 20.31 H new ATOM 0 HA ASN A 71 -29.182 -0.966 -46.026 1.00 33.11 H new ATOM 0 HB2 ASN A 71 -31.213 1.298 -46.200 1.00 44.24 H new ATOM 0 HB3 ASN A 71 -29.469 1.468 -46.220 1.00 44.24 H new ATOM 0 HD21 ASN A 71 -31.504 0.168 -49.586 1.00 61.32 H new ATOM 0 HD22 ASN A 71 -32.264 0.137 -47.991 1.00 61.32 H new ATOM 775 N LEU A 72 -31.000 -1.138 -43.597 1.00 21.33 N ATOM 776 CA LEU A 72 -31.152 -1.036 -42.149 1.00 62.24 C ATOM 777 C LEU A 72 -29.791 -0.983 -41.462 1.00 15.24 C ATOM 778 O LEU A 72 -28.770 -1.330 -42.055 1.00 75.42 O ATOM 779 CB LEU A 72 -31.959 -2.221 -41.617 1.00 33.13 C ATOM 780 CG LEU A 72 -33.063 -1.884 -40.614 1.00 33.42 C ATOM 781 CD1 LEU A 72 -34.355 -2.597 -40.982 1.00 60.44 C ATOM 782 CD2 LEU A 72 -32.632 -2.254 -39.202 1.00 31.00 C ATOM 0 H LEU A 72 -31.539 -1.891 -44.025 1.00 21.33 H new ATOM 0 HA LEU A 72 -31.686 -0.112 -41.928 1.00 62.24 H new ATOM 0 HB2 LEU A 72 -32.410 -2.737 -42.464 1.00 33.13 H new ATOM 0 HB3 LEU A 72 -31.270 -2.922 -41.147 1.00 33.13 H new ATOM 0 HG LEU A 72 -33.242 -0.809 -40.648 1.00 33.42 H new ATOM 0 HD11 LEU A 72 -35.129 -2.345 -40.257 1.00 60.44 H new ATOM 0 HD12 LEU A 72 -34.673 -2.283 -41.976 1.00 60.44 H new ATOM 0 HD13 LEU A 72 -34.190 -3.674 -40.977 1.00 60.44 H new ATOM 0 HD21 LEU A 72 -33.430 -2.007 -38.502 1.00 31.00 H new ATOM 0 HD22 LEU A 72 -32.424 -3.323 -39.153 1.00 31.00 H new ATOM 0 HD23 LEU A 72 -31.733 -1.697 -38.938 1.00 31.00 H new ATOM 794 N ASP A 73 -29.786 -0.547 -40.207 1.00 23.44 N ATOM 795 CA ASP A 73 -28.551 -0.452 -39.436 1.00 53.31 C ATOM 796 C ASP A 73 -28.413 -1.635 -38.483 1.00 4.31 C ATOM 797 O ASP A 73 -29.377 -2.352 -38.223 1.00 75.45 O ATOM 798 CB ASP A 73 -28.516 0.860 -38.650 1.00 32.43 C ATOM 799 CG ASP A 73 -28.404 2.073 -39.552 1.00 31.12 C ATOM 800 OD1 ASP A 73 -27.702 3.033 -39.171 1.00 2.00 O ATOM 801 OD2 ASP A 73 -29.018 2.062 -40.639 1.00 62.11 O ATOM 0 H ASP A 73 -30.622 -0.254 -39.702 1.00 23.44 H new ATOM 0 HA ASP A 73 -27.713 -0.471 -40.133 1.00 53.31 H new ATOM 0 HB2 ASP A 73 -29.420 0.942 -38.046 1.00 32.43 H new ATOM 0 HB3 ASP A 73 -27.672 0.845 -37.960 1.00 32.43 H new ATOM 806 N GLY A 74 -27.204 -1.832 -37.965 1.00 30.42 N ATOM 807 CA GLY A 74 -26.961 -2.930 -37.047 1.00 62.23 C ATOM 808 C GLY A 74 -26.569 -2.453 -35.663 1.00 44.11 C ATOM 809 O GLY A 74 -26.301 -1.268 -35.459 1.00 31.35 O ATOM 0 H GLY A 74 -26.389 -1.251 -38.164 1.00 30.42 H new ATOM 0 HA2 GLY A 74 -27.858 -3.545 -36.975 1.00 62.23 H new ATOM 0 HA3 GLY A 74 -26.170 -3.565 -37.446 1.00 62.23 H new ATOM 813 N THR A 75 -26.535 -3.377 -34.708 1.00 11.45 N ATOM 814 CA THR A 75 -26.176 -3.044 -33.335 1.00 2.31 C ATOM 815 C THR A 75 -24.684 -3.243 -33.093 1.00 40.14 C ATOM 816 O THR A 75 -23.994 -3.874 -33.894 1.00 62.41 O ATOM 817 CB THR A 75 -26.966 -3.897 -32.325 1.00 13.43 C ATOM 818 OG1 THR A 75 -27.984 -4.641 -33.003 1.00 32.12 O ATOM 819 CG2 THR A 75 -27.600 -3.020 -31.255 1.00 4.20 C ATOM 0 H THR A 75 -26.752 -4.362 -34.860 1.00 11.45 H new ATOM 0 HA THR A 75 -26.428 -1.994 -33.188 1.00 2.31 H new ATOM 0 HB THR A 75 -26.272 -4.586 -31.844 1.00 13.43 H new ATOM 0 HG1 THR A 75 -27.881 -5.595 -32.802 1.00 32.12 H new ATOM 0 HG21 THR A 75 -28.153 -3.645 -30.553 1.00 4.20 H new ATOM 0 HG22 THR A 75 -26.820 -2.476 -30.721 1.00 4.20 H new ATOM 0 HG23 THR A 75 -28.282 -2.310 -31.723 1.00 4.20 H new ATOM 827 N CYS A 76 -24.191 -2.701 -31.984 1.00 74.25 N ATOM 828 CA CYS A 76 -22.781 -2.819 -31.636 1.00 64.35 C ATOM 829 C CYS A 76 -22.610 -3.494 -30.278 1.00 40.33 C ATOM 830 O CYS A 76 -23.396 -3.267 -29.358 1.00 22.31 O ATOM 831 CB CYS A 76 -22.121 -1.439 -31.619 1.00 63.13 C ATOM 832 SG CYS A 76 -20.835 -1.214 -32.890 1.00 52.42 S ATOM 0 H CYS A 76 -24.748 -2.175 -31.311 1.00 74.25 H new ATOM 0 HA CYS A 76 -22.297 -3.437 -32.392 1.00 64.35 H new ATOM 0 HB2 CYS A 76 -22.890 -0.679 -31.757 1.00 63.13 H new ATOM 0 HB3 CYS A 76 -21.679 -1.271 -30.637 1.00 63.13 H new ATOM 837 N TYR A 77 -21.579 -4.322 -30.161 1.00 65.52 N ATOM 838 CA TYR A 77 -21.305 -5.032 -28.917 1.00 14.31 C ATOM 839 C TYR A 77 -19.829 -4.933 -28.546 1.00 41.41 C ATOM 840 O TYR A 77 -18.955 -4.953 -29.414 1.00 75.44 O ATOM 841 CB TYR A 77 -21.714 -6.501 -29.042 1.00 43.54 C ATOM 842 CG TYR A 77 -23.045 -6.702 -29.730 1.00 33.24 C ATOM 843 CD1 TYR A 77 -23.138 -6.726 -31.116 1.00 2.33 C ATOM 844 CD2 TYR A 77 -24.211 -6.870 -28.992 1.00 71.44 C ATOM 845 CE1 TYR A 77 -24.352 -6.909 -31.748 1.00 14.15 C ATOM 846 CE2 TYR A 77 -25.430 -7.056 -29.616 1.00 0.22 C ATOM 847 CZ TYR A 77 -25.496 -7.074 -30.993 1.00 45.34 C ATOM 848 OH TYR A 77 -26.707 -7.258 -31.619 1.00 52.11 O ATOM 0 H TYR A 77 -20.918 -4.519 -30.913 1.00 65.52 H new ATOM 0 HA TYR A 77 -21.891 -4.565 -28.126 1.00 14.31 H new ATOM 0 HB2 TYR A 77 -20.944 -7.038 -29.595 1.00 43.54 H new ATOM 0 HB3 TYR A 77 -21.758 -6.943 -28.047 1.00 43.54 H new ATOM 0 HD1 TYR A 77 -22.245 -6.599 -31.710 1.00 2.33 H new ATOM 0 HD2 TYR A 77 -24.163 -6.855 -27.913 1.00 71.44 H new ATOM 0 HE1 TYR A 77 -24.406 -6.923 -32.827 1.00 14.15 H new ATOM 0 HE2 TYR A 77 -26.326 -7.187 -29.028 1.00 0.22 H new ATOM 0 HH TYR A 77 -27.411 -7.359 -30.945 1.00 52.11 H new ATOM 858 N LEU A 78 -19.557 -4.825 -27.250 1.00 72.32 N ATOM 859 CA LEU A 78 -18.186 -4.724 -26.762 1.00 14.43 C ATOM 860 C LEU A 78 -17.448 -6.047 -26.933 1.00 22.23 C ATOM 861 O LEU A 78 -18.018 -7.120 -26.727 1.00 5.34 O ATOM 862 CB LEU A 78 -18.178 -4.308 -25.289 1.00 72.54 C ATOM 863 CG LEU A 78 -16.823 -4.368 -24.583 1.00 15.12 C ATOM 864 CD1 LEU A 78 -16.623 -3.140 -23.708 1.00 52.24 C ATOM 865 CD2 LEU A 78 -16.709 -5.639 -23.754 1.00 75.12 C ATOM 0 H LEU A 78 -20.268 -4.805 -26.518 1.00 72.32 H new ATOM 0 HA LEU A 78 -17.672 -3.964 -27.351 1.00 14.43 H new ATOM 0 HB2 LEU A 78 -18.558 -3.289 -25.218 1.00 72.54 H new ATOM 0 HB3 LEU A 78 -18.876 -4.947 -24.748 1.00 72.54 H new ATOM 0 HG LEU A 78 -16.040 -4.381 -25.341 1.00 15.12 H new ATOM 0 HD11 LEU A 78 -15.654 -3.200 -23.213 1.00 52.24 H new ATOM 0 HD12 LEU A 78 -16.660 -2.243 -24.326 1.00 52.24 H new ATOM 0 HD13 LEU A 78 -17.412 -3.096 -22.957 1.00 52.24 H new ATOM 0 HD21 LEU A 78 -15.738 -5.665 -23.259 1.00 75.12 H new ATOM 0 HD22 LEU A 78 -17.500 -5.656 -23.004 1.00 75.12 H new ATOM 0 HD23 LEU A 78 -16.807 -6.508 -24.405 1.00 75.12 H new ATOM 877 N LEU A 79 -16.176 -5.965 -27.308 1.00 53.25 N ATOM 878 CA LEU A 79 -15.358 -7.156 -27.505 1.00 22.30 C ATOM 879 C LEU A 79 -15.039 -7.824 -26.171 1.00 45.31 C ATOM 880 O LEU A 79 -14.441 -7.211 -25.287 1.00 24.32 O ATOM 881 CB LEU A 79 -14.061 -6.794 -28.230 1.00 63.04 C ATOM 882 CG LEU A 79 -13.180 -5.747 -27.548 1.00 51.52 C ATOM 883 CD1 LEU A 79 -12.062 -6.417 -26.765 1.00 61.14 C ATOM 884 CD2 LEU A 79 -12.609 -4.779 -28.575 1.00 33.21 C ATOM 0 H LEU A 79 -15.689 -5.086 -27.482 1.00 53.25 H new ATOM 0 HA LEU A 79 -15.924 -7.859 -28.116 1.00 22.30 H new ATOM 0 HB2 LEU A 79 -13.475 -7.704 -28.360 1.00 63.04 H new ATOM 0 HB3 LEU A 79 -14.314 -6.433 -29.227 1.00 63.04 H new ATOM 0 HG LEU A 79 -13.796 -5.182 -26.849 1.00 51.52 H new ATOM 0 HD11 LEU A 79 -11.446 -5.656 -26.287 1.00 61.14 H new ATOM 0 HD12 LEU A 79 -12.491 -7.068 -26.003 1.00 61.14 H new ATOM 0 HD13 LEU A 79 -11.447 -7.008 -27.443 1.00 61.14 H new ATOM 0 HD21 LEU A 79 -11.985 -4.041 -28.072 1.00 33.21 H new ATOM 0 HD22 LEU A 79 -12.008 -5.329 -29.299 1.00 33.21 H new ATOM 0 HD23 LEU A 79 -13.425 -4.273 -29.091 1.00 33.21 H new ATOM 896 N ALA A 80 -15.440 -9.083 -26.035 1.00 23.35 N ATOM 897 CA ALA A 80 -15.193 -9.835 -24.811 1.00 24.34 C ATOM 898 C ALA A 80 -13.852 -10.560 -24.873 1.00 13.14 C ATOM 899 O ALA A 80 -13.170 -10.715 -23.859 1.00 35.02 O ATOM 900 CB ALA A 80 -16.320 -10.827 -24.564 1.00 1.24 C ATOM 0 H ALA A 80 -15.937 -9.604 -26.757 1.00 23.35 H new ATOM 0 HA ALA A 80 -15.157 -9.129 -23.981 1.00 24.34 H new ATOM 0 HB1 ALA A 80 -16.122 -11.381 -23.647 1.00 1.24 H new ATOM 0 HB2 ALA A 80 -17.263 -10.289 -24.467 1.00 1.24 H new ATOM 0 HB3 ALA A 80 -16.383 -11.522 -25.401 1.00 1.24 H new ATOM 906 N THR A 81 -13.479 -11.003 -26.069 1.00 71.21 N ATOM 907 CA THR A 81 -12.221 -11.713 -26.263 1.00 32.31 C ATOM 908 C THR A 81 -11.029 -10.815 -25.954 1.00 53.52 C ATOM 909 O THR A 81 -10.940 -9.691 -26.450 1.00 51.21 O ATOM 910 CB THR A 81 -12.091 -12.242 -27.704 1.00 30.53 C ATOM 911 OG1 THR A 81 -10.859 -12.956 -27.854 1.00 22.21 O ATOM 912 CG2 THR A 81 -12.147 -11.100 -28.707 1.00 20.32 C ATOM 0 H THR A 81 -14.031 -10.883 -26.919 1.00 71.21 H new ATOM 0 HA THR A 81 -12.225 -12.557 -25.573 1.00 32.31 H new ATOM 0 HB THR A 81 -12.926 -12.915 -27.897 1.00 30.53 H new ATOM 0 HG1 THR A 81 -10.785 -13.291 -28.772 1.00 22.21 H new ATOM 0 HG21 THR A 81 -12.053 -11.498 -29.717 1.00 20.32 H new ATOM 0 HG22 THR A 81 -13.098 -10.577 -28.610 1.00 20.32 H new ATOM 0 HG23 THR A 81 -11.330 -10.405 -28.513 1.00 20.32 H new ATOM 920 N THR A 82 -10.113 -11.316 -25.132 1.00 21.22 N ATOM 921 CA THR A 82 -8.926 -10.558 -24.757 1.00 20.35 C ATOM 922 C THR A 82 -7.693 -11.065 -25.496 1.00 74.15 C ATOM 923 O THR A 82 -7.533 -12.262 -25.737 1.00 44.35 O ATOM 924 CB THR A 82 -8.667 -10.634 -23.240 1.00 15.11 C ATOM 925 OG1 THR A 82 -9.210 -11.849 -22.710 1.00 50.34 O ATOM 926 CG2 THR A 82 -9.287 -9.442 -22.525 1.00 63.24 C ATOM 0 H THR A 82 -10.170 -12.244 -24.713 1.00 21.22 H new ATOM 0 HA THR A 82 -9.113 -9.521 -25.036 1.00 20.35 H new ATOM 0 HB THR A 82 -7.589 -10.616 -23.077 1.00 15.11 H new ATOM 0 HG1 THR A 82 -9.040 -11.890 -21.746 1.00 50.34 H new ATOM 0 HG21 THR A 82 -9.091 -9.517 -21.455 1.00 63.24 H new ATOM 0 HG22 THR A 82 -8.851 -8.520 -22.910 1.00 63.24 H new ATOM 0 HG23 THR A 82 -10.363 -9.434 -22.697 1.00 63.24 H new ATOM 934 N PRO A 83 -6.800 -10.135 -25.866 1.00 72.21 N ATOM 935 CA PRO A 83 -5.565 -10.465 -26.583 1.00 41.03 C ATOM 936 C PRO A 83 -4.568 -11.215 -25.706 1.00 40.23 C ATOM 937 O PRO A 83 -4.862 -11.547 -24.558 1.00 34.20 O ATOM 938 CB PRO A 83 -5.007 -9.095 -26.976 1.00 64.05 C ATOM 939 CG PRO A 83 -5.568 -8.153 -25.968 1.00 75.31 C ATOM 940 CD PRO A 83 -6.927 -8.690 -25.612 1.00 31.41 C ATOM 0 HA PRO A 83 -5.749 -11.125 -27.431 1.00 41.03 H new ATOM 0 HB2 PRO A 83 -3.917 -9.091 -26.957 1.00 64.05 H new ATOM 0 HB3 PRO A 83 -5.309 -8.820 -27.986 1.00 64.05 H new ATOM 0 HG2 PRO A 83 -4.928 -8.096 -25.088 1.00 75.31 H new ATOM 0 HG3 PRO A 83 -5.641 -7.144 -26.374 1.00 75.31 H new ATOM 0 HD2 PRO A 83 -7.180 -8.486 -24.572 1.00 31.41 H new ATOM 0 HD3 PRO A 83 -7.709 -8.242 -26.224 1.00 31.41 H new ATOM 948 N LYS A 84 -3.386 -11.478 -26.254 1.00 75.31 N ATOM 949 CA LYS A 84 -2.344 -12.188 -25.522 1.00 11.54 C ATOM 950 C LYS A 84 -1.205 -11.245 -25.147 1.00 11.24 C ATOM 951 O LYS A 84 -0.111 -11.687 -24.797 1.00 3.41 O ATOM 952 CB LYS A 84 -1.804 -13.349 -26.359 1.00 31.21 C ATOM 953 CG LYS A 84 -1.363 -12.940 -27.754 1.00 33.33 C ATOM 954 CD LYS A 84 -2.447 -13.212 -28.783 1.00 72.32 C ATOM 955 CE LYS A 84 -2.392 -12.213 -29.928 1.00 44.15 C ATOM 956 NZ LYS A 84 -1.332 -12.560 -30.916 1.00 54.52 N1+ ATOM 0 H LYS A 84 -3.126 -11.210 -27.203 1.00 75.31 H new ATOM 0 HA LYS A 84 -2.783 -12.583 -24.606 1.00 11.54 H new ATOM 0 HB2 LYS A 84 -0.959 -13.800 -25.838 1.00 31.21 H new ATOM 0 HB3 LYS A 84 -2.574 -14.116 -26.441 1.00 31.21 H new ATOM 0 HG2 LYS A 84 -1.111 -11.879 -27.761 1.00 33.33 H new ATOM 0 HG3 LYS A 84 -0.458 -13.484 -28.025 1.00 33.33 H new ATOM 0 HD2 LYS A 84 -2.333 -14.223 -29.175 1.00 72.32 H new ATOM 0 HD3 LYS A 84 -3.425 -13.164 -28.304 1.00 72.32 H new ATOM 0 HE2 LYS A 84 -3.359 -12.181 -30.429 1.00 44.15 H new ATOM 0 HE3 LYS A 84 -2.206 -11.215 -29.531 1.00 44.15 H new ATOM 0 HZ1 LYS A 84 -1.326 -11.855 -31.681 1.00 54.52 H new ATOM 0 HZ2 LYS A 84 -0.406 -12.566 -30.444 1.00 54.52 H new ATOM 0 HZ3 LYS A 84 -1.523 -13.502 -31.314 1.00 54.52 H new ATOM 970 N SER A 85 -1.471 -9.944 -25.220 1.00 64.55 N ATOM 971 CA SER A 85 -0.467 -8.939 -24.891 1.00 23.52 C ATOM 972 C SER A 85 -0.947 -8.045 -23.752 1.00 21.33 C ATOM 973 O SER A 85 -2.030 -7.462 -23.818 1.00 23.34 O ATOM 974 CB SER A 85 -0.143 -8.089 -26.121 1.00 12.35 C ATOM 975 OG SER A 85 0.359 -6.818 -25.744 1.00 21.31 O ATOM 0 H SER A 85 -2.373 -9.562 -25.504 1.00 64.55 H new ATOM 0 HA SER A 85 0.437 -9.456 -24.568 1.00 23.52 H new ATOM 0 HB2 SER A 85 0.591 -8.605 -26.740 1.00 12.35 H new ATOM 0 HB3 SER A 85 -1.040 -7.964 -26.727 1.00 12.35 H new ATOM 0 HG SER A 85 0.560 -6.294 -26.548 1.00 21.31 H new ATOM 981 N THR A 86 -0.133 -7.941 -22.706 1.00 22.43 N ATOM 982 CA THR A 86 -0.473 -7.120 -21.551 1.00 32.21 C ATOM 983 C THR A 86 0.193 -5.752 -21.634 1.00 5.23 C ATOM 984 O THR A 86 -0.317 -4.767 -21.098 1.00 25.10 O ATOM 985 CB THR A 86 -0.057 -7.803 -20.234 1.00 51.51 C ATOM 986 OG1 THR A 86 1.345 -8.092 -20.254 1.00 61.01 O ATOM 987 CG2 THR A 86 -0.842 -9.087 -20.019 1.00 34.52 C ATOM 0 H THR A 86 0.767 -8.416 -22.635 1.00 22.43 H new ATOM 0 HA THR A 86 -1.556 -6.995 -21.560 1.00 32.21 H new ATOM 0 HB THR A 86 -0.275 -7.121 -19.412 1.00 51.51 H new ATOM 0 HG1 THR A 86 1.602 -8.524 -19.413 1.00 61.01 H new ATOM 0 HG21 THR A 86 -0.531 -9.551 -19.083 1.00 34.52 H new ATOM 0 HG22 THR A 86 -1.907 -8.859 -19.975 1.00 34.52 H new ATOM 0 HG23 THR A 86 -0.652 -9.772 -20.845 1.00 34.52 H new ATOM 995 N THR A 87 1.337 -5.696 -22.309 1.00 42.42 N ATOM 996 CA THR A 87 2.074 -4.448 -22.462 1.00 2.42 C ATOM 997 C THR A 87 1.436 -3.559 -23.523 1.00 42.51 C ATOM 998 O THR A 87 1.376 -3.922 -24.698 1.00 54.43 O ATOM 999 CB THR A 87 3.544 -4.706 -22.841 1.00 65.22 C ATOM 1000 OG1 THR A 87 3.612 -5.586 -23.969 1.00 51.43 O ATOM 1001 CG2 THR A 87 4.306 -5.313 -21.673 1.00 3.24 C ATOM 0 H THR A 87 1.773 -6.501 -22.759 1.00 42.42 H new ATOM 0 HA THR A 87 2.039 -3.941 -21.498 1.00 2.42 H new ATOM 0 HB THR A 87 4.003 -3.751 -23.097 1.00 65.22 H new ATOM 0 HG1 THR A 87 2.915 -5.345 -24.614 1.00 51.43 H new ATOM 0 HG21 THR A 87 5.342 -5.486 -21.965 1.00 3.24 H new ATOM 0 HG22 THR A 87 4.278 -4.629 -20.825 1.00 3.24 H new ATOM 0 HG23 THR A 87 3.845 -6.260 -21.391 1.00 3.24 H new ATOM 1009 N THR A 88 0.961 -2.390 -23.102 1.00 71.33 N ATOM 1010 CA THR A 88 0.327 -1.449 -24.017 1.00 32.13 C ATOM 1011 C THR A 88 1.367 -0.677 -24.820 1.00 23.11 C ATOM 1012 O THR A 88 1.800 0.403 -24.418 1.00 43.41 O ATOM 1013 CB THR A 88 -0.568 -0.449 -23.261 1.00 52.55 C ATOM 1014 OG1 THR A 88 -1.416 -1.146 -22.342 1.00 63.41 O ATOM 1015 CG2 THR A 88 -1.419 0.356 -24.232 1.00 41.44 C ATOM 0 H THR A 88 1.004 -2.073 -22.133 1.00 71.33 H new ATOM 0 HA THR A 88 -0.290 -2.036 -24.698 1.00 32.13 H new ATOM 0 HB THR A 88 0.076 0.237 -22.711 1.00 52.55 H new ATOM 0 HG1 THR A 88 -1.980 -0.502 -21.865 1.00 63.41 H new ATOM 0 HG21 THR A 88 -2.043 1.055 -23.676 1.00 41.44 H new ATOM 0 HG22 THR A 88 -0.771 0.909 -24.912 1.00 41.44 H new ATOM 0 HG23 THR A 88 -2.054 -0.319 -24.806 1.00 41.44 H new TER 1023 THR A 88